smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1	ZINC000005568290	204140368	/nfs/dbraw/zinc/14/03/68/204140368.db2.gz	IZMPRHGGCWQKJU-IZZDOVSWSA-N	-1	0	378.138	2.798	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cccc(Cl)c1	ZINC000225072692	205687053	/nfs/dbraw/zinc/68/70/53/205687053.db2.gz	UUOAXMULVYTWAY-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000023990462	205975547	/nfs/dbraw/zinc/97/55/47/205975547.db2.gz	RQIDJCRBQGFCOQ-UHFFFAOYSA-N	-1	0	377.422	2.781	40	5		GFBBRM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)cc2oc1=O	ZINC000223350626	570225989	/nfs/dbraw/zinc/22/59/89/570225989.db2.gz	MZMJFISEZLITID-UHFFFAOYSA-N	-1	0	377.378	2.632	40	5		GFBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1[O-]	ZINC000409229580	533132506	/nfs/dbraw/zinc/13/25/06/533132506.db2.gz	RLEZZEATDQOFGP-OVCLIPMQSA-N	-1	0	383.360	2.710	40	5		GFBBRM
Cc1c(Cl)cccc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113894880	655215435	/nfs/dbraw/zinc/21/54/35/655215435.db2.gz	HCALUMIQOQUOKV-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020142884	221474979	/nfs/dbraw/zinc/47/49/79/221474979.db2.gz	RDVIXHOMMSDUMT-UHFFFAOYSA-N	-1	0	385.376	2.690	40	5		GFBBRM
O=C1OCc2cc(-c3ccc(C=Cc4[nH]c(=O)[n-]c(=O)c4[N+](=O)[O-])o3)ccc21	ZINC000006226604	204171061	/nfs/dbraw/zinc/17/10/61/204171061.db2.gz	GGAAPZGQHCRMAW-GORDUTHDSA-N	-1	0	381.300	2.897	40	5		GFBBRM
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OCc1ccccc1	ZINC000408739358	533123024	/nfs/dbraw/zinc/12/30/24/533123024.db2.gz	ZPWBAYIRTLKMMH-CXAGYDPISA-N	-1	0	390.417	2.971	40	5		GFBBRM
Cc1ccc(C(=O)[N-]C(=O)C[C@H]2Sc3ccccc3NC2=O)c([N+](=O)[O-])c1	ZINC000001086629	570750708	/nfs/dbraw/zinc/75/07/08/570750708.db2.gz	OZBGLJKRZNJQMI-OAHLLOKOSA-N	-1	0	385.401	2.663	40	5		GFBBRM
O=C([O-])CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113886200	655215365	/nfs/dbraw/zinc/21/53/65/655215365.db2.gz	ZZVJCWAGZVEUQH-UHFFFAOYSA-N	-1	0	388.760	2.667	40	5		GFBBRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000223651794	206005059	/nfs/dbraw/zinc/00/50/59/206005059.db2.gz	KRLGCTREOOXPBN-UHFFFAOYSA-N	-1	0	394.405	2.969	40	5		GFBBRM
CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409230769	528195667	/nfs/dbraw/zinc/19/56/67/528195667.db2.gz	GIFKNDKEVORPNN-UKTHLTGXSA-N	-1	0	382.394	2.772	40	5		GFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000113888477	655215396	/nfs/dbraw/zinc/21/53/96/655215396.db2.gz	WNMBLZMDBIYOCY-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1[O-]	ZINC000409241977	528336430	/nfs/dbraw/zinc/33/64/30/528336430.db2.gz	ZPOMGVPMIDLDDU-OQLLNIDSSA-N	-1	0	383.360	2.792	40	5		GFBBRM
CCCc1nc(SC(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)[O-])n[nH]1	ZINC000408633427	528755644	/nfs/dbraw/zinc/75/56/44/528755644.db2.gz	YIVAOVPGVUSKPN-XGICHPGQSA-N	-1	0	378.366	2.612	40	5		GFBBRM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl	ZINC000223349354	570224408	/nfs/dbraw/zinc/22/44/08/570224408.db2.gz	INPCLPRQUVWOIY-UHFFFAOYSA-N	-1	0	397.796	2.802	40	5		GFBBRM
COC(=O)c1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2	ZINC000040945769	654621628	/nfs/dbraw/zinc/62/16/28/654621628.db2.gz	DEWJCFFUZBMFKG-UHFFFAOYSA-N	-1	0	382.419	2.732	40	5		GFBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Br)c([N+](=O)[O-])c2)[nH]1	ZINC000005670476	204145338	/nfs/dbraw/zinc/14/53/38/204145338.db2.gz	AHYFOXOHYKIWLH-DUXPYHPUSA-N	-1	0	383.114	2.637	40	5		GFBBRM
CC(C)c1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000225019418	206034513	/nfs/dbraw/zinc/03/45/13/206034513.db2.gz	BESVFQVAGNPNTO-UHFFFAOYSA-N	-1	0	378.406	2.998	40	5		GFBBRM
O=C([O-])c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000031160066	206087532	/nfs/dbraw/zinc/08/75/32/206087532.db2.gz	IXQCQOLLSMIABK-INIZCTEOSA-N	-1	0	383.360	2.536	40	5	biogenic,in-vitro	GFBBRM
COc1cc([N+](=O)[O-])cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1[O-]	ZINC000409389477	533132954	/nfs/dbraw/zinc/13/29/54/533132954.db2.gz	BFGLMCMFMJKIPQ-APSNUPSMSA-N	-1	0	397.412	2.696	40	5		GFBBRM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OC	ZINC000409351210	533481663	/nfs/dbraw/zinc/48/16/63/533481663.db2.gz	ZIUBMRWJRXQMKF-ARJAWSKDSA-N	-1	0	398.169	2.746	40	5		GFBBRM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000152650763	551437589	/nfs/dbraw/zinc/43/75/89/551437589.db2.gz	DWYALEWAUUKXKA-UHFFFAOYSA-N	-1	0	383.769	2.792	40	5		GFBBRM
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006075200	570233549	/nfs/dbraw/zinc/23/35/49/570233549.db2.gz	LRKJURTYKBJKCS-GXFFZTMASA-N	-1	0	398.393	2.759	40	5		GFBBRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000408613612	231080824	/nfs/dbraw/zinc/08/08/24/231080824.db2.gz	YTTIHKSAPDLUTI-SFHVURJKSA-N	-1	0	397.431	2.959	40	5		GFBBRM
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCC1=O	ZINC000005329573	206606568	/nfs/dbraw/zinc/60/65/68/206606568.db2.gz	GQPDQNDIFYWFJS-UHFFFAOYSA-N	-1	0	375.406	2.831	40	5		GFBBRM
CC(C)c1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000113895462	208462273	/nfs/dbraw/zinc/46/22/73/208462273.db2.gz	LZUBCXKTSXFUQO-UHFFFAOYSA-N	-1	0	378.406	2.998	40	5		GFBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1O	ZINC000005673205	551098257	/nfs/dbraw/zinc/09/82/57/551098257.db2.gz	JEWFYMJJYIFAGK-ONEGZZNKSA-N	-1	0	398.169	2.833	40	5		GFBBRM
CCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Br	ZINC000006324350	551098802	/nfs/dbraw/zinc/09/88/02/551098802.db2.gz	VQMMGHWKYGJOMN-HWKANZROSA-N	-1	0	396.197	2.693	40	5		GFBBRM
Cc1cc([N+](=O)[O-])nn1Cc1nnc([N-]c2ccn(Cc3ccccc3)n2)s1	ZINC000002730841	209116434	/nfs/dbraw/zinc/11/64/34/209116434.db2.gz	OMVGDKDFOSEPBB-UHFFFAOYSA-N	-1	0	396.436	2.988	40	5		GFBBRM
CCN1CCC[C@@]2(CN(Cc3ccc([O-])c([N+](=O)[O-])c3)CC(F)(F)C2)C1=O	ZINC000306135816	209104135	/nfs/dbraw/zinc/10/41/35/209104135.db2.gz	PBVJTKWNJOORRT-QGZVFWFLSA-N	-1	0	383.395	2.770	40	5		GFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-]	ZINC000224768192	553058355	/nfs/dbraw/zinc/05/83/55/553058355.db2.gz	TYRFVOJXEAMAAC-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1c(Cl)cccc1N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113895659	655215427	/nfs/dbraw/zinc/21/54/27/655215427.db2.gz	SNUTTYZEAAGGCS-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1cc(Cl)ccc1N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225004456	553058468	/nfs/dbraw/zinc/05/84/68/553058468.db2.gz	XWMQVKQXOFQCQR-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)c(Cl)cc21	ZINC000223365467	570228827	/nfs/dbraw/zinc/22/88/27/570228827.db2.gz	UIBXTADLTHJDTF-UHFFFAOYSA-N	-1	0	397.796	2.977	40	5		GFBBRM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000052410877	570747821	/nfs/dbraw/zinc/74/78/21/570747821.db2.gz	XFAIKDKFBCLBKQ-UHFFFAOYSA-N	-1	0	377.422	2.878	40	5		GFBBRM
Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1[N+](=O)[O-]	ZINC000408638425	231090781	/nfs/dbraw/zinc/09/07/81/231090781.db2.gz	CEBOMPSDCUAJNC-CYBMUJFWSA-N	-1	0	383.360	2.593	40	5		GFBBRM
Cc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cccc1[N+](=O)[O-]	ZINC000408627814	533773614	/nfs/dbraw/zinc/77/36/14/533773614.db2.gz	NZAWTYLYLNTEJI-UHFFFAOYSA-N	-1	0	376.350	2.644	40	5		GFBBRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409039114	528195101	/nfs/dbraw/zinc/19/51/01/528195101.db2.gz	BMXNNBXYKQYOSW-OQLLNIDSSA-N	-1	0	383.360	2.753	40	5		GFBBRM
COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)cc1C(=O)[O-]	ZINC000039716155	209093515	/nfs/dbraw/zinc/09/35/15/209093515.db2.gz	GXFZOYGLALLAGK-UHFFFAOYSA-N	-1	0	386.769	2.756	40	5		GFBBRM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3C)cc2oc1=O	ZINC000223359061	570226193	/nfs/dbraw/zinc/22/61/93/570226193.db2.gz	VVLFYJNIWXFKAJ-UHFFFAOYSA-N	-1	0	391.405	2.940	40	5		GFBBRM
COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409237431	533471341	/nfs/dbraw/zinc/47/13/41/533471341.db2.gz	WSLSZYPLXSYQEH-VGOFMYFVSA-N	-1	0	383.360	2.710	40	5		GFBBRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000223643894	570322745	/nfs/dbraw/zinc/32/27/45/570322745.db2.gz	NIGXQVZOTYRHMU-UHFFFAOYSA-N	-1	0	394.405	2.969	40	5		GFBBRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000223651192	570323024	/nfs/dbraw/zinc/32/30/24/570323024.db2.gz	QQOWDDGNYPXPRQ-UHFFFAOYSA-N	-1	0	394.405	2.969	40	5		GFBBRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000408625485	570387520	/nfs/dbraw/zinc/38/75/20/570387520.db2.gz	YIBNZVIYGNXQMI-UHFFFAOYSA-N	-1	0	389.389	2.737	40	5		GFBBRM
CCOc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000224788099	570970864	/nfs/dbraw/zinc/97/08/64/570970864.db2.gz	SGVJOLPAMAPPGC-UHFFFAOYSA-N	-1	0	394.405	2.582	40	5		GFBBRM
N=c1[n-]nc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)s1	ZINC000409412479	231202548	/nfs/dbraw/zinc/20/25/48/231202548.db2.gz	OJUIWCARXHMUIG-UHFFFAOYSA-N	-1	0	380.238	2.896	40	5		GFBBRM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409102434	534226876	/nfs/dbraw/zinc/22/68/76/534226876.db2.gz	ZPHHMPOTLGPAHE-KIUQOZPWSA-N	-1	0	386.769	2.552	40	5		GFBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CCCOC)C2=O)c1[O-]	ZINC000409241021	528337041	/nfs/dbraw/zinc/33/70/41/528337041.db2.gz	MWUWZNNNWCRFPO-MDWZMJQESA-N	-1	0	382.394	2.772	40	5		GFBBRM
COc1ccccc1/C=C1\SC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408997752	533952860	/nfs/dbraw/zinc/95/28/60/533952860.db2.gz	SQRLVSKBMBQQND-GDNBJRDFSA-N	-1	0	399.384	2.985	40	5		GFBBRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409193963	528197178	/nfs/dbraw/zinc/19/71/78/528197178.db2.gz	JACIUKUBRCGDTC-ZSOIEALJSA-N	-1	0	383.360	2.792	40	5		GFBBRM
Cc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225004816	553058333	/nfs/dbraw/zinc/05/83/33/553058333.db2.gz	MKWBOVJWBSTCED-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CCOC(=O)c1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000033247717	570855713	/nfs/dbraw/zinc/85/57/13/570855713.db2.gz	WEGONPJZDJQZCN-CLFYSBASSA-N	-1	0	397.343	2.991	40	5		GFBBRM
CCn1c2cc([N-]S(=O)(=O)c3ccccc3)c([N+](=O)[O-])cc2n(CC)c1=O	ZINC000408536933	231055485	/nfs/dbraw/zinc/05/54/85/231055485.db2.gz	YIRCDOFNGVORKT-UHFFFAOYSA-N	-1	0	390.421	2.552	40	5		GFBBRM
COc1ccc(C)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224777754	570967659	/nfs/dbraw/zinc/96/76/59/570967659.db2.gz	BKSOUHFCSRJKQP-UHFFFAOYSA-N	-1	0	394.405	2.500	40	5		GFBBRM
COc1ccc(C=Cc2nc3[n-]cnn3c(=O)c2[N+](=O)[O-])cc1Br	ZINC000008780903	654487166	/nfs/dbraw/zinc/48/71/66/654487166.db2.gz	SVJZSRIYRPFDBB-DUXPYHPUSA-N	-1	0	392.169	2.680	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)C	ZINC000007363498	570833906	/nfs/dbraw/zinc/83/39/06/570833906.db2.gz	URVDHWJQQUHLDS-UHFFFAOYSA-N	-1	0	377.422	2.842	40	5		GFBBRM
O=C([O-])CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1	ZINC000329054643	209159741	/nfs/dbraw/zinc/15/97/41/209159741.db2.gz	VKDMFSNVUWAPQK-UHFFFAOYSA-N	-1	0	399.794	2.789	40	5		GFBBRM
Cc1c([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cccc1[N+](=O)[O-]	ZINC000225311132	211891908	/nfs/dbraw/zinc/89/19/08/211891908.db2.gz	SZUUTFKVXFVTSS-UHFFFAOYSA-N	-1	0	399.454	2.540	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000224714718	553057736	/nfs/dbraw/zinc/05/77/36/553057736.db2.gz	UCYQAQUENBHUNA-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000020142683	210319583	/nfs/dbraw/zinc/31/95/83/210319583.db2.gz	DIKUGWIERYAFLN-UHFFFAOYSA-N	-1	0	385.376	2.690	40	5		GFBBRM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409102445	533199460	/nfs/dbraw/zinc/19/94/60/533199460.db2.gz	ZPHHMPOTLGPAHE-ONUAPLEPSA-N	-1	0	386.769	2.552	40	5		GFBBRM
CCOc1ccc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000033461907	551133667	/nfs/dbraw/zinc/13/36/67/551133667.db2.gz	CDBAABWTAILRGD-HYXAFXHYSA-N	-1	0	382.170	2.715	40	5		GFBBRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000225005274	553058401	/nfs/dbraw/zinc/05/84/01/553058401.db2.gz	SMLOGCGTBIWJQM-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
COc1cc(-c2ccc([C@H]3N[C@@H](C(=O)[O-])CS3)o2)cc([N+](=O)[O-])c1OC	ZINC000408984728	533453423	/nfs/dbraw/zinc/45/34/23/533453423.db2.gz	JJZNIOHPPZAHNQ-PSLIRLAXSA-N	-1	0	380.378	2.660	40	5		GFBBRM
O=C([O-])CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1	ZINC000113889519	655215377	/nfs/dbraw/zinc/21/53/77/655215377.db2.gz	CMLFOLPUOFTCRM-UHFFFAOYSA-N	-1	0	388.760	2.667	40	5		GFBBRM
Cc1ccc(C(=O)[N-]C(=O)C[C@@H]2Sc3ccccc3NC2=O)c([N+](=O)[O-])c1	ZINC000001086628	209298370	/nfs/dbraw/zinc/29/83/70/209298370.db2.gz	OZBGLJKRZNJQMI-HNNXBMFYSA-N	-1	0	385.401	2.663	40	5		GFBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1O	ZINC000409348362	528199749	/nfs/dbraw/zinc/19/97/49/528199749.db2.gz	SQWSSSMQDYHHLE-ARJAWSKDSA-N	-1	0	398.169	2.833	40	5		GFBBRM
CC1=NC(=S)N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1	ZINC000036231183	570576801	/nfs/dbraw/zinc/57/68/01/570576801.db2.gz	ZHFAOFLXMFEJOW-QGZVFWFLSA-N	-1	0	399.428	2.837	40	5		GFBBRM
O=[N+]([O-])c1c(I)cc([O-])cc1I	ZINC000090560687	212060848	/nfs/dbraw/zinc/06/08/48/212060848.db2.gz	CLDJFXCAIWYRQM-UHFFFAOYSA-N	-1	0	390.902	2.510	40	5		GFBBRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000408611508	534495057	/nfs/dbraw/zinc/49/50/57/534495057.db2.gz	SOHAYORQBMTDJC-LJQANCHMSA-N	-1	0	397.431	2.959	40	5		GFBBRM
O=C([O-])c1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000409411976	534542770	/nfs/dbraw/zinc/54/27/70/534542770.db2.gz	OVMCQHUUMQICEE-UHFFFAOYSA-N	-1	0	378.724	2.742	40	5		GFBBRM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1	ZINC000223771544	570325854	/nfs/dbraw/zinc/32/58/54/570325854.db2.gz	JMMHJGODEHBHFE-UHFFFAOYSA-N	-1	0	388.405	2.740	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	ZINC000223325753	571043245	/nfs/dbraw/zinc/04/32/45/571043245.db2.gz	VIVAMEWGIWOVRI-UHFFFAOYSA-N	-1	0	399.454	2.540	40	5		GFBBRM
O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016921177	221373485	/nfs/dbraw/zinc/37/34/85/221373485.db2.gz	DQZXWAPLXCATFN-QPEQYQDCSA-N	-1	0	389.345	2.568	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000223330102	553056234	/nfs/dbraw/zinc/05/62/34/553056234.db2.gz	YBUJEVFPHQCIBT-UHFFFAOYSA-N	-1	0	383.769	2.792	40	5		GFBBRM
CC(C)(C)OC(=O)N1[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)SC[C@@H]1C(=O)[O-]	ZINC000006075202	570233690	/nfs/dbraw/zinc/23/36/90/570233690.db2.gz	LRKJURTYKBJKCS-ZWNOBZJWSA-N	-1	0	398.393	2.759	40	5		GFBBRM
CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000015372512	570932930	/nfs/dbraw/zinc/93/29/30/570932930.db2.gz	PZUQQZXBKQCVFN-UHFFFAOYSA-N	-1	0	377.422	2.781	40	5		GFBBRM
CCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])n[nH]1	ZINC000408633128	529744498	/nfs/dbraw/zinc/74/44/98/529744498.db2.gz	WEFCBCLKENSRCN-IZZDOVSWSA-N	-1	0	380.382	2.510	40	5		GFBBRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2C)cc1C	ZINC000224653489	222659715	/nfs/dbraw/zinc/65/97/15/222659715.db2.gz	ACIUGDCQHLZSHB-UHFFFAOYSA-N	-1	0	394.405	2.500	40	5		GFBBRM
COc1cc(-c2ccc([C@H]3N[C@H](C(=O)[O-])CS3)o2)cc([N+](=O)[O-])c1OC	ZINC000408984731	533453645	/nfs/dbraw/zinc/45/36/45/533453645.db2.gz	JJZNIOHPPZAHNQ-VFZGTOFNSA-N	-1	0	380.378	2.660	40	5		GFBBRM
Cc1c([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cccc1[N+](=O)[O-]	ZINC000223348799	570224438	/nfs/dbraw/zinc/22/44/38/570224438.db2.gz	RCNTTWFPPWXJRG-UHFFFAOYSA-N	-1	0	397.796	2.802	40	5		GFBBRM
COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)=O)cc1OC	ZINC000223251866	570986123	/nfs/dbraw/zinc/98/61/23/570986123.db2.gz	YKGIEOITSCGMNE-UHFFFAOYSA-N	-1	0	380.378	2.615	40	5		GFBBRM
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OCc1ccccc1	ZINC000408739364	533122446	/nfs/dbraw/zinc/12/24/46/533122446.db2.gz	ZPWBAYIRTLKMMH-SUMWQHHRSA-N	-1	0	390.417	2.971	40	5		GFBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1[O-]	ZINC000409074633	533131883	/nfs/dbraw/zinc/13/18/83/533131883.db2.gz	UGKFYIPSLNBHMK-VGOFMYFVSA-N	-1	0	387.323	2.541	40	5		GFBBRM
CC(C)Oc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000224761862	570966385	/nfs/dbraw/zinc/96/63/85/570966385.db2.gz	XLSVURJBGJSMEN-UHFFFAOYSA-N	-1	0	394.405	2.662	40	5		GFBBRM
Cc1cccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000409230156	231184692	/nfs/dbraw/zinc/18/46/92/231184692.db2.gz	XBRZRZCTAJELGA-VGOFMYFVSA-N	-1	0	398.331	2.610	40	5		GFBBRM
Cc1cc(C)c(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000113881434	222520849	/nfs/dbraw/zinc/52/08/49/222520849.db2.gz	WEFRRJPEGRREMO-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
CC(=O)N[C@@H](CSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000016321002	221360966	/nfs/dbraw/zinc/36/09/66/221360966.db2.gz	VYHNAYJBNIXBDB-AWEZNQCLSA-N	-1	0	388.401	2.507	40	5		GFBBRM
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])n[nH]1	ZINC000408631248	528756164	/nfs/dbraw/zinc/75/61/64/528756164.db2.gz	GYIBUGFKOOYMHD-KPKJPENVSA-N	-1	0	394.409	2.900	40	5		GFBBRM
CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000408917072	528807075	/nfs/dbraw/zinc/80/70/75/528807075.db2.gz	LYISQWOJSZKKGA-ONNFQVAWSA-N	-1	0	386.769	2.553	40	5		GFBBRM
O=C([O-])CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113885820	655215323	/nfs/dbraw/zinc/21/53/23/655215323.db2.gz	GZKCQWXODFILBW-UHFFFAOYSA-N	-1	0	388.760	2.667	40	5		GFBBRM
COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1C(=O)[O-]	ZINC000013341237	221265834	/nfs/dbraw/zinc/26/58/34/221265834.db2.gz	IHOMUNXDGBYDSA-UHFFFAOYSA-N	-1	0	386.769	2.756	40	5		GFBBRM
O=C(c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC1	ZINC000020492611	221494128	/nfs/dbraw/zinc/49/41/28/221494128.db2.gz	DAAKTRXTOKQHJK-UHFFFAOYSA-N	-1	0	389.433	2.773	40	5		GFBBRM
Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036612646	570749963	/nfs/dbraw/zinc/74/99/63/570749963.db2.gz	UMAPJTCMBOZTGT-KRWDZBQOSA-N	-1	0	382.376	2.875	40	5		GFBBRM
Cc1cc(Cl)ccc1N(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225028697	222668283	/nfs/dbraw/zinc/66/82/83/222668283.db2.gz	RVCZHGJBCXDNIC-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000007708100	221006817	/nfs/dbraw/zinc/00/68/17/221006817.db2.gz	DPGUECYXEIODBT-UHFFFAOYSA-N	-1	0	391.405	2.531	40	5		GFBBRM
COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc([N+](=O)[O-])c1[O-]	ZINC000409033937	533470237	/nfs/dbraw/zinc/47/02/37/533470237.db2.gz	MRQRMQXWFOQPTO-ZROIWOOFSA-N	-1	0	385.401	2.913	40	5		GFBBRM
CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000030867400	221706941	/nfs/dbraw/zinc/70/69/41/221706941.db2.gz	UFDITYZTCMDYIG-UHFFFAOYSA-N	-1	0	377.422	2.675	40	5		GFBBRM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc2oc1=O	ZINC000223358982	570226000	/nfs/dbraw/zinc/22/60/00/570226000.db2.gz	ZIYLKTUYLDZJFN-UHFFFAOYSA-N	-1	0	377.378	2.632	40	5		GFBBRM
CCn1c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2sc1=O	ZINC000225091999	553058428	/nfs/dbraw/zinc/05/84/28/553058428.db2.gz	BDODFUZTKLLWTQ-UHFFFAOYSA-N	-1	0	379.419	2.792	40	5		GFBBRM
Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C	ZINC000224775423	570967570	/nfs/dbraw/zinc/96/75/70/570967570.db2.gz	AUDHMYMUUPRGDQ-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
Cc1ccc(C)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000224765388	206026919	/nfs/dbraw/zinc/02/69/19/206026919.db2.gz	HBAWTBDDUMXURO-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C	ZINC000224766533	206027225	/nfs/dbraw/zinc/02/72/25/206027225.db2.gz	LVGNBKAKOOGRBU-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
O=C([N-]N1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408767133	231112888	/nfs/dbraw/zinc/11/28/88/231112888.db2.gz	VZJDXEZHUTZWCN-ZROIWOOFSA-N	-1	0	385.357	2.682	40	5		GFBBRM
Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c1	ZINC000223771463	206005698	/nfs/dbraw/zinc/00/56/98/206005698.db2.gz	QGPSGLYZQFXOHU-UHFFFAOYSA-N	-1	0	388.405	2.740	40	5		GFBBRM
CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2C)cc1	ZINC000224601109	206023727	/nfs/dbraw/zinc/02/37/27/206023727.db2.gz	ZYUUCYRJXOFEEL-UHFFFAOYSA-N	-1	0	394.405	2.582	40	5		GFBBRM
Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C	ZINC000225079074	206036140	/nfs/dbraw/zinc/03/61/40/206036140.db2.gz	ZLPMRKOUUPPLNB-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
O=c1[nH]c(C=Cc2ccc(Br)c([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409343572	231193115	/nfs/dbraw/zinc/19/31/15/231193115.db2.gz	DYDZRUBQUMASOB-DUXPYHPUSA-N	-1	0	383.114	2.637	40	5		GFBBRM
CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000224600678	206024256	/nfs/dbraw/zinc/02/42/56/206024256.db2.gz	LIPCZLWVBJTSML-UHFFFAOYSA-N	-1	0	394.405	2.582	40	5		GFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccncc1	ZINC000409311494	533481470	/nfs/dbraw/zinc/48/14/70/533481470.db2.gz	GPZZUNXIFSDVRY-RQOWECAXSA-N	-1	0	396.359	2.949	40	5		GFBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(Br)cc1O	ZINC000409339733	528195076	/nfs/dbraw/zinc/19/50/76/528195076.db2.gz	LKIQMDWPSWXLHL-ONEGZZNKSA-N	-1	0	398.169	2.833	40	5		GFBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1	ZINC000106710634	231018260	/nfs/dbraw/zinc/01/82/60/231018260.db2.gz	UYBSYDZVHGLBHO-DHDCSXOGSA-N	-1	0	399.384	2.975	40	5		GFBBRM
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OCc1ccccc1	ZINC000408739363	533131846	/nfs/dbraw/zinc/13/18/46/533131846.db2.gz	ZPWBAYIRTLKMMH-GUYCJALGSA-N	-1	0	390.417	2.971	40	5		GFBBRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409046490	528194425	/nfs/dbraw/zinc/19/44/25/528194425.db2.gz	KXJSOQJGKABPRW-OQLLNIDSSA-N	-1	0	383.360	2.753	40	5		GFBBRM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000047367395	570954197	/nfs/dbraw/zinc/95/41/97/570954197.db2.gz	AWXWZELYXBLXTF-LBPRGKRZSA-N	-1	0	377.422	2.924	40	5		GFBBRM
O=C([O-])CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1	ZINC000225143885	206038668	/nfs/dbraw/zinc/03/86/68/206038668.db2.gz	YIZXNSXVLKVISF-UHFFFAOYSA-N	-1	0	376.799	2.590	40	5		GFBBRM
COc1cccc(/C=C2\SC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000408765053	533387916	/nfs/dbraw/zinc/38/79/16/533387916.db2.gz	ZCMONFJOLWEBPX-GDNBJRDFSA-N	-1	0	399.384	2.985	40	5		GFBBRM
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2O)C(=O)[O-])n[nH]1	ZINC000408631204	528756829	/nfs/dbraw/zinc/75/68/29/528756829.db2.gz	GBMNZMHODLYQAC-IZZDOVSWSA-N	-1	0	380.382	2.597	40	5		GFBBRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000224765111	206026935	/nfs/dbraw/zinc/02/69/35/206026935.db2.gz	VBKGWJPWPRZHCN-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
CCc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224766919	206028081	/nfs/dbraw/zinc/02/80/81/206028081.db2.gz	QKWAQYRLBVQZJE-UHFFFAOYSA-N	-1	0	378.406	2.746	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1c(C)cccc1C	ZINC000225070620	206036413	/nfs/dbraw/zinc/03/64/13/206036413.db2.gz	LSDYPSNMBBZMFJ-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1[O-]	ZINC000409232865	533132916	/nfs/dbraw/zinc/13/29/16/533132916.db2.gz	SOXNSVMPURLOPZ-OVCLIPMQSA-N	-1	0	383.360	2.710	40	5		GFBBRM
CC(C)(C)OC(=O)N[C@@H](CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000015722251	207056251	/nfs/dbraw/zinc/05/62/51/207056251.db2.gz	PXVAXTMGYWSFHF-LBPRGKRZSA-N	-1	0	398.372	2.673	40	5		GFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000224768614	208470837	/nfs/dbraw/zinc/47/08/37/208470837.db2.gz	NFNICIOUAARHAG-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000224988167	208938494	/nfs/dbraw/zinc/93/84/94/208938494.db2.gz	LZRXLRHEWOLQKA-UHFFFAOYSA-N	-1	0	382.419	2.597	40	5		GFBBRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000224751500	553057890	/nfs/dbraw/zinc/05/78/90/553057890.db2.gz	DNHUNXOURCXHIP-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CCn1c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2sc1=O	ZINC000225092471	553058363	/nfs/dbraw/zinc/05/83/63/553058363.db2.gz	GDPORFBLPJHRLN-UHFFFAOYSA-N	-1	0	379.419	2.792	40	5		GFBBRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000032032920	570642325	/nfs/dbraw/zinc/64/23/25/570642325.db2.gz	MSNYTSXSOIHAEH-UHFFFAOYSA-N	-1	0	377.422	2.926	40	5		GFBBRM
CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000052410835	570747703	/nfs/dbraw/zinc/74/77/03/570747703.db2.gz	XTSIMYMWPUNQHC-UHFFFAOYSA-N	-1	0	377.422	2.924	40	5		GFBBRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020110602	207179061	/nfs/dbraw/zinc/17/90/61/207179061.db2.gz	UXEUBVMWTQLLGH-UHFFFAOYSA-N	-1	0	377.422	2.677	40	5		GFBBRM
CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000216344805	208821290	/nfs/dbraw/zinc/82/12/90/208821290.db2.gz	UQALGBOUIIBELR-UHFFFAOYSA-N	-1	0	391.449	2.923	40	5		GFBBRM
CS(=O)(=O)C(CCC(=O)c1ccc([N+](=O)[O-])cc1)=C([O-])c1ccccc1	ZINC000001582520	570322770	/nfs/dbraw/zinc/32/27/70/570322770.db2.gz	CAKWIWWSCJEFQO-KRWDZBQOSA-N	-1	0	375.402	2.854	40	5		GFBBRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2C)cc1C	ZINC000224653086	570938038	/nfs/dbraw/zinc/93/80/38/570938038.db2.gz	QSOIWCQTSUZUAN-UHFFFAOYSA-N	-1	0	394.405	2.500	40	5		GFBBRM
Cc1cc(C)cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000224766140	570966270	/nfs/dbraw/zinc/96/62/70/570966270.db2.gz	JBBMKJQDSULDHW-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2c(C)cccc2C)cc1[N+](=O)[O-]	ZINC000224765801	208933264	/nfs/dbraw/zinc/93/32/64/208933264.db2.gz	PSJHVUJMEBKHRK-UHFFFAOYSA-N	-1	0	378.406	2.800	40	5		GFBBRM
COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409223209	533471056	/nfs/dbraw/zinc/47/10/56/533471056.db2.gz	DLBRRVOYCJTUAM-VGOFMYFVSA-N	-1	0	383.360	2.710	40	5		GFBBRM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000047367394	570954522	/nfs/dbraw/zinc/95/45/22/570954522.db2.gz	AWXWZELYXBLXTF-GFCCVEGCSA-N	-1	0	377.422	2.924	40	5		GFBBRM
CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])o1	ZINC000408632881	231090473	/nfs/dbraw/zinc/09/04/73/231090473.db2.gz	UPPWNNAVBPAJOC-IZZDOVSWSA-N	-1	0	381.366	2.775	40	5		GFBBRM
CCOc1cccc(N(CC(=O)[O-])S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000225090481	208941523	/nfs/dbraw/zinc/94/15/23/208941523.db2.gz	FEABHGWAWUXBKB-UHFFFAOYSA-N	-1	0	394.405	2.582	40	5		GFBBRM
COc1cc(-c2ccc([C@@H]3N[C@H](C(=O)[O-])CS3)o2)cc([N+](=O)[O-])c1OC	ZINC000408984726	533453829	/nfs/dbraw/zinc/45/38/29/533453829.db2.gz	JJZNIOHPPZAHNQ-BJOHPYRUSA-N	-1	0	380.378	2.660	40	5		GFBBRM
Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000224715143	553057501	/nfs/dbraw/zinc/05/75/01/553057501.db2.gz	CFYWRUYVGUQSNZ-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2Cl)cc1[N+](=O)[O-]	ZINC000224767783	553058440	/nfs/dbraw/zinc/05/84/40/553058440.db2.gz	FTSXHCSZUPMFHX-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
O=c1[nH]c(C=Cc2ccc(I)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409340172	231192993	/nfs/dbraw/zinc/19/29/93/231192993.db2.gz	RNXAMNHPZUZZKZ-ZZXKWVIFSA-N	-1	0	385.117	2.571	40	5		GFBBRM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000052410993	570747586	/nfs/dbraw/zinc/74/75/86/570747586.db2.gz	SOPIKELZOXJRAI-UHFFFAOYSA-N	-1	0	377.422	2.878	40	5		GFBBRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000225029742	553058229	/nfs/dbraw/zinc/05/82/29/553058229.db2.gz	OERCXYIBIZGBOC-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1	ZINC000014396133	570310059	/nfs/dbraw/zinc/31/00/59/570310059.db2.gz	ZNMQFPBQAUROGQ-UHFFFAOYSA-N	-1	0	389.433	2.940	40	5		GFBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000020144832	210319967	/nfs/dbraw/zinc/31/99/67/210319967.db2.gz	NZGGDGHMBYSMAM-UHFFFAOYSA-N	-1	0	380.740	2.973	40	5		GFBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-]	ZINC000408628405	231089056	/nfs/dbraw/zinc/08/90/56/231089056.db2.gz	SOULHZPEJBMGGP-UHFFFAOYSA-N	-1	0	376.350	2.644	40	5		GFBBRM
CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006075203	211575121	/nfs/dbraw/zinc/57/51/21/211575121.db2.gz	LRKJURTYKBJKCS-MFKMUULPSA-N	-1	0	398.393	2.759	40	5		GFBBRM
CCn1c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)cc2oc1=O	ZINC000019936848	210308852	/nfs/dbraw/zinc/30/88/52/210308852.db2.gz	XHHQCTRJUKRXSN-UHFFFAOYSA-N	-1	0	377.378	2.632	40	5		GFBBRM
COc1cc(-c2ccc([C@@H]3N[C@@H](C(=O)[O-])CS3)o2)cc([N+](=O)[O-])c1OC	ZINC000408984730	533454253	/nfs/dbraw/zinc/45/42/53/533454253.db2.gz	JJZNIOHPPZAHNQ-RFAUZJTJSA-N	-1	0	380.378	2.660	40	5		GFBBRM
Cc1c([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cccc1[N+](=O)[O-]	ZINC000135683548	551388313	/nfs/dbraw/zinc/38/83/13/551388313.db2.gz	GKWZGMHMTHUZCQ-UHFFFAOYSA-N	-1	0	383.769	2.792	40	5		GFBBRM
CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)c(Cl)cc21	ZINC000223366663	570228699	/nfs/dbraw/zinc/22/86/99/570228699.db2.gz	CLALRPFWLMODPB-UHFFFAOYSA-N	-1	0	397.796	2.977	40	5		GFBBRM
CCN1CCC[C@]2(CN(Cc3ccc([O-])c([N+](=O)[O-])c3)CC(F)(F)C2)C1=O	ZINC000306135815	212051094	/nfs/dbraw/zinc/05/10/94/212051094.db2.gz	PBVJTKWNJOORRT-KRWDZBQOSA-N	-1	0	383.395	2.770	40	5		GFBBRM
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006075201	211573745	/nfs/dbraw/zinc/57/37/45/211573745.db2.gz	LRKJURTYKBJKCS-GWCFXTLKSA-N	-1	0	398.393	2.759	40	5		GFBBRM
Cc1c(Cl)cccc1N(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225029411	553058269	/nfs/dbraw/zinc/05/82/69/553058269.db2.gz	UIPSDEGZRZSPPN-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl	ZINC000223348711	570224566	/nfs/dbraw/zinc/22/45/66/570224566.db2.gz	LXEZKULLVYCESH-UHFFFAOYSA-N	-1	0	397.796	2.802	40	5		GFBBRM
O=C([O-])CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1	ZINC000000898394	209278275	/nfs/dbraw/zinc/27/82/75/209278275.db2.gz	FFJDVLUWLVIWSP-ZDUSSCGKSA-N	-1	0	378.410	2.599	40	5		GFBBRM
Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1C(=O)[O-]	ZINC000020142880	210319255	/nfs/dbraw/zinc/31/92/55/210319255.db2.gz	VPLGEFZIYFKGQG-UHFFFAOYSA-N	-1	0	385.376	2.690	40	5		GFBBRM
Cc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224751009	553057416	/nfs/dbraw/zinc/05/74/16/553057416.db2.gz	KIBFFLZGWWACAK-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CCn1c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2sc1=O	ZINC000225092412	553058385	/nfs/dbraw/zinc/05/83/85/553058385.db2.gz	JSSUSGYHGOXREU-UHFFFAOYSA-N	-1	0	379.419	2.792	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(Cl)cc1	ZINC000225073020	209188270	/nfs/dbraw/zinc/18/82/70/209188270.db2.gz	QSYMONAVUQJBEF-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
Cc1[nH]c2[n-]n(-c3ccc(F)cc3)c(=O)c2c(=O)c1Cc1ccc([N+](=O)[O-])cc1	ZINC000017080524	570926599	/nfs/dbraw/zinc/92/65/99/570926599.db2.gz	RPXJBTOQRWMNOR-UHFFFAOYSA-N	-1	0	394.362	2.954	40	5		GFBBRM
CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000224770662	570967888	/nfs/dbraw/zinc/96/78/88/570967888.db2.gz	SUXABKOTKJRXIP-UHFFFAOYSA-N	-1	0	394.405	2.582	40	5		GFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccccc1Cl	ZINC000225072364	211882047	/nfs/dbraw/zinc/88/20/47/211882047.db2.gz	MIXUUGZUIUFKFY-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
CCOc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224770312	211872942	/nfs/dbraw/zinc/87/29/42/211872942.db2.gz	VGQFAGVHYMAOBV-UHFFFAOYSA-N	-1	0	394.405	2.582	40	5		GFBBRM
CCOc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000033391487	551133758	/nfs/dbraw/zinc/13/37/58/551133758.db2.gz	LORJZAZUZWTKNK-UTCJRWHESA-N	-1	0	382.170	2.715	40	5		GFBBRM
O=C([O-])CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225032047	553058313	/nfs/dbraw/zinc/05/83/13/553058313.db2.gz	TUISOXIYZDKUOU-UHFFFAOYSA-N	-1	0	388.760	2.667	40	5		GFBBRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000408611506	231080105	/nfs/dbraw/zinc/08/01/05/231080105.db2.gz	SOHAYORQBMTDJC-IBGZPJMESA-N	-1	0	397.431	2.959	40	5		GFBBRM
Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036612645	210154442	/nfs/dbraw/zinc/15/44/42/210154442.db2.gz	UMAPJTCMBOZTGT-QGZVFWFLSA-N	-1	0	382.376	2.875	40	5		GFBBRM
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OCc1ccccc1	ZINC000408739362	533132014	/nfs/dbraw/zinc/13/20/14/533132014.db2.gz	ZPWBAYIRTLKMMH-DYVFJYSZSA-N	-1	0	390.417	2.971	40	5		GFBBRM
Cc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225029056	222667875	/nfs/dbraw/zinc/66/78/75/222667875.db2.gz	XFSZONQZNAZOHO-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
O=C([O-])CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1	ZINC000000898391	212193379	/nfs/dbraw/zinc/19/33/79/212193379.db2.gz	FFJDVLUWLVIWSP-CYBMUJFWSA-N	-1	0	378.410	2.599	40	5		GFBBRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000408613611	534494489	/nfs/dbraw/zinc/49/44/89/534494489.db2.gz	YTTIHKSAPDLUTI-GOSISDBHSA-N	-1	0	397.431	2.959	40	5		GFBBRM
CC1=NC(=S)N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1	ZINC000036231181	570576787	/nfs/dbraw/zinc/57/67/87/570576787.db2.gz	ZHFAOFLXMFEJOW-KRWDZBQOSA-N	-1	0	399.428	2.837	40	5		GFBBRM
COc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(C)=O)cc1OC	ZINC000223251315	570986211	/nfs/dbraw/zinc/98/62/11/570986211.db2.gz	KRRMTPIPLDPLDN-UHFFFAOYSA-N	-1	0	380.378	2.615	40	5		GFBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1[O-]	ZINC000409020878	533131831	/nfs/dbraw/zinc/13/18/31/533131831.db2.gz	VAEPORPYPCUQNB-VGOFMYFVSA-N	-1	0	387.323	2.541	40	5		GFBBRM
COC(=O)c1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC000059413162	654825663	/nfs/dbraw/zinc/82/56/63/654825663.db2.gz	ZYFCHVWXKBNVGH-UHFFFAOYSA-N	-1	0	382.419	2.732	40	5		GFBBRM
COc1ccc(/C=C2\SC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408751905	231111619	/nfs/dbraw/zinc/11/16/19/231111619.db2.gz	DPONZYLIVCJVQQ-GDNBJRDFSA-N	-1	0	399.384	2.985	40	5		GFBBRM
Cc1cc(Cl)ccc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224750607	553057576	/nfs/dbraw/zinc/05/75/76/553057576.db2.gz	NDNGXDSCXBBOCX-UHFFFAOYSA-N	-1	0	384.797	2.837	40	5		GFBBRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	ZINC000224867255	570993178	/nfs/dbraw/zinc/99/31/78/570993178.db2.gz	JIBNAZBKZNGTGW-UHFFFAOYSA-N	-1	0	392.418	2.923	40	5		GFBBRM
Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	ZINC000223596195	570322352	/nfs/dbraw/zinc/32/23/52/570322352.db2.gz	DDAWXKLHVTZVNM-UHFFFAOYSA-N	-1	0	388.405	2.740	40	5		GFBBRM
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1=O	ZINC000005329305	570553135	/nfs/dbraw/zinc/55/31/35/570553135.db2.gz	KMEPBWRZBSEULL-UHFFFAOYSA-N	-1	0	375.406	2.831	40	5		GFBBRM
CCn1c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2n(CC)c1=O	ZINC000408537192	231054639	/nfs/dbraw/zinc/05/46/39/231054639.db2.gz	COHJLJIIAZZMGZ-UHFFFAOYSA-N	-1	0	390.421	2.552	40	5		GFBBRM
CC(=O)N[C@H](CSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000016321004	221360787	/nfs/dbraw/zinc/36/07/87/221360787.db2.gz	VYHNAYJBNIXBDB-CQSZACIVSA-N	-1	0	388.401	2.507	40	5		GFBBRM
O=C([O-])c1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000031160070	560090433	/nfs/dbraw/zinc/09/04/33/560090433.db2.gz	IXQCQOLLSMIABK-MRXNPFEDSA-N	-1	0	383.360	2.536	40	5	biogenic,in-vitro	GFBBRM
Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1[N+](=O)[O-]	ZINC000408638427	231090153	/nfs/dbraw/zinc/09/01/53/231090153.db2.gz	CEBOMPSDCUAJNC-ZDUSSCGKSA-N	-1	0	383.360	2.593	40	5		GFBBRM
O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000016921173	221373814	/nfs/dbraw/zinc/37/38/14/221373814.db2.gz	NKFHRFGNMISIIN-QPEQYQDCSA-N	-1	0	389.345	2.568	40	5		GFBBRM
O=C([N-]N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl	ZINC000007881738	551102087	/nfs/dbraw/zinc/10/20/87/551102087.db2.gz	YBCJFOXDZJLHHA-UHFFFAOYSA-N	-1	0	380.143	2.843	40	5		GFBBRM
CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000224775792	570967807	/nfs/dbraw/zinc/96/78/07/570967807.db2.gz	NZNNCOIGQXJGMY-UHFFFAOYSA-N	-1	0	378.406	2.746	40	5		GFBBRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2C)cc1	ZINC000224990050	222666880	/nfs/dbraw/zinc/66/68/80/222666880.db2.gz	IDAQTXLHCKKDLJ-UHFFFAOYSA-N	-1	0	396.446	2.905	40	5		GFBBRM
COc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1Cl	ZINC000013053796	221258772	/nfs/dbraw/zinc/25/87/72/221258772.db2.gz	MXTUBJNBXPJKLD-UHFFFAOYSA-N	-1	0	380.740	2.973	40	5		GFBBRM
Cc1ccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409239072	533912042	/nfs/dbraw/zinc/91/20/42/533912042.db2.gz	BPQGNPCBKIQANP-VGOFMYFVSA-N	-1	0	398.331	2.610	40	5		GFBBRM
COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409096537	533471533	/nfs/dbraw/zinc/47/15/33/533471533.db2.gz	LJIWAGMUKGNJMT-AWNIVKPZSA-N	-1	0	387.323	2.541	40	5		GFBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Br)o2)N1	ZINC000005568370	551098360	/nfs/dbraw/zinc/09/83/60/551098360.db2.gz	ASBFTTGFTNKKAZ-IZZDOVSWSA-N	-1	0	378.138	2.798	40	5		GFBBRM