smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(F)cc1)C2=O	ZINC000008974595	132299260	/nfs/dbraw/zinc/29/92/60/132299260.db2.gz	GTAWYQXMOVFEOI-XMSQKQJNSA-N	0	1	440.431	4.005	50	5		IIBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000137493155	568845461	/nfs/dbraw/zinc/84/54/61/568845461.db2.gz	UEWFDSYOPMVXMZ-BHDDXSALSA-N	0	1	447.422	4.093	50	5		IIBAMN
Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C	ZINC000013137102	569311393	/nfs/dbraw/zinc/31/13/93/569311393.db2.gz	JDXYWQJIIIGSRJ-UHFFFAOYSA-N	0	1	425.466	4.265	50	5		IIBAMN
Cc1ccc(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c([N+](=O)[O-])c1	ZINC000020574581	525186396	/nfs/dbraw/zinc/18/63/96/525186396.db2.gz	GAMAMEQXFWEQFY-UHFFFAOYSA-N	0	1	434.500	4.156	50	5		IIBAMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4Cl)c(O)c23)cc1	ZINC000100744979	556660520	/nfs/dbraw/zinc/66/05/20/556660520.db2.gz	ALTKAENICPQOPG-PZJWPPBQSA-N	0	1	446.850	4.031	50	5		IIBAMN
C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@@H]3C=C12	ZINC000016031058	556890992	/nfs/dbraw/zinc/89/09/92/556890992.db2.gz	BZUHGFUCNPLPKX-LJPCKXNNSA-N	0	1	439.556	4.031	50	5		IIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1	ZINC000008830215	562964779	/nfs/dbraw/zinc/96/47/79/562964779.db2.gz	BXQZNEAZIRJQPO-KIHHCIJBSA-N	0	1	427.460	4.080	50	5		IIBAMN
CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc([N+](=O)[O-])cc4C)o2)N3)C1	ZINC000002785203	569421189	/nfs/dbraw/zinc/42/11/89/569421189.db2.gz	SDURSGHJSODHDZ-HXUWFJFHSA-N	0	1	438.509	4.457	50	5		IIBAMN
Cc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000009124792	569504401	/nfs/dbraw/zinc/50/44/01/569504401.db2.gz	WBVUSQRYNCAWCF-UHFFFAOYSA-N	0	1	448.302	4.182	50	5		IIBAMN
COCCN1C(=O)c2n[nH]c(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000035169970	523807683	/nfs/dbraw/zinc/80/76/83/523807683.db2.gz	KXAFKJYNYYUPMV-IBGZPJMESA-N	0	1	447.278	4.483	50	5		IIBAMN
C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C=C12	ZINC000409413390	556640819	/nfs/dbraw/zinc/64/08/19/556640819.db2.gz	BZUHGFUCNPLPKX-VAVAZTCLSA-N	0	1	439.556	4.031	50	5		IIBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017723622	557112417	/nfs/dbraw/zinc/11/24/17/557112417.db2.gz	UEWFDSYOPMVXMZ-BDTNDASRSA-N	0	1	447.422	4.093	50	5		IIBAMN
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1cccc(Cl)c1	ZINC000009088270	569500838	/nfs/dbraw/zinc/50/08/38/569500838.db2.gz	NHDGFTKGJFLBOM-FPOVZHCZSA-N	0	1	446.850	4.031	50	5		IIBAMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4Cl)c(O)c23)cc1	ZINC000100744977	556660163	/nfs/dbraw/zinc/66/01/63/556660163.db2.gz	ALTKAENICPQOPG-CTNGQTDRSA-N	0	1	446.850	4.031	50	5		IIBAMN
CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1	ZINC000036067932	568945353	/nfs/dbraw/zinc/94/53/53/568945353.db2.gz	MXCAHEBFGHVXDZ-JNRLJJHESA-N	0	1	439.516	4.479	50	5		IIBAMN
CN1CCN(c2ccccc2NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)CC1	ZINC000008993651	536424235	/nfs/dbraw/zinc/42/42/35/536424235.db2.gz	IFNXHFVRCREJEH-UHFFFAOYSA-N	0	1	430.917	4.467	50	5		IIBAMN
COc1ccccc1[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCC1	ZINC000059782448	556418581	/nfs/dbraw/zinc/41/85/81/556418581.db2.gz	UGOBJEAXCGULOG-JOCHJYFZSA-N	0	1	438.528	4.135	50	5		IIBAMN
CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1	ZINC000036067930	556710351	/nfs/dbraw/zinc/71/03/51/556710351.db2.gz	MXCAHEBFGHVXDZ-WHIZCHOSSA-N	0	1	439.516	4.479	50	5		IIBAMN
CCCc1oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OCC	ZINC000004008758	569457920	/nfs/dbraw/zinc/45/79/20/569457920.db2.gz	CSXFGWFCKSUFIB-UHFFFAOYSA-N	0	1	432.454	4.271	50	5		IIBAMN
COc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1	ZINC000009222558	569512803	/nfs/dbraw/zinc/51/28/03/569512803.db2.gz	QOQPBVOIHXTNSJ-OAQYLSRUSA-N	0	1	429.542	4.039	50	5		IIBAMN
CCOc1cccc2sc(N(CCN(C)C)C(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc21	ZINC000009603959	569551842	/nfs/dbraw/zinc/55/18/42/569551842.db2.gz	LYJAOHKLSUUSKM-UHFFFAOYSA-N	0	1	448.932	4.465	50	5		IIBAMN
CCCC[C@@H](CC)CNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000012467342	521033242	/nfs/dbraw/zinc/03/32/42/521033242.db2.gz	RUBGGORAFVZVBJ-FOIQADDNSA-N	0	1	447.919	4.167	50	5		IIBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(F)cc1)C2=O	ZINC000008974596	535495937	/nfs/dbraw/zinc/49/59/37/535495937.db2.gz	GTAWYQXMOVFEOI-PGRDOPGGSA-N	0	1	440.431	4.005	50	5		IIBAMN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000248059911	556659177	/nfs/dbraw/zinc/65/91/77/556659177.db2.gz	PRAVMSFPXRPZKR-FQUZAXHOSA-N	0	1	440.503	4.137	50	5		IIBAMN
COc1cccc([C@@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2CCN(C)C)c1	ZINC000011614615	557209881	/nfs/dbraw/zinc/20/98/81/557209881.db2.gz	KDGOZXIGARRHSZ-JOCHJYFZSA-N	0	1	428.488	4.062	50	5		IIBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101092696	557249623	/nfs/dbraw/zinc/24/96/23/557249623.db2.gz	UEWFDSYOPMVXMZ-VSKRKVRLSA-N	0	1	447.422	4.093	50	5		IIBAMN
O=C(Nc1ccc(N2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc1)c1ccccc1F	ZINC000034681716	557848418	/nfs/dbraw/zinc/84/84/18/557848418.db2.gz	GFMUTSGJQWXRRV-UHFFFAOYSA-N	0	1	449.486	4.094	50	5		IIBAMN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000229803940	569461899	/nfs/dbraw/zinc/46/18/99/569461899.db2.gz	PRAVMSFPXRPZKR-ZYQDXHPFSA-N	0	1	440.503	4.137	50	5		IIBAMN
CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1	ZINC000245296631	569502383	/nfs/dbraw/zinc/50/23/83/569502383.db2.gz	MXCAHEBFGHVXDZ-ZWFZGZTESA-N	0	1	439.516	4.479	50	5		IIBAMN
O=C(C1CCOCC1)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000069966735	569525907	/nfs/dbraw/zinc/52/59/07/569525907.db2.gz	UUTHJFPXUKTAKR-QHCPKHFHSA-N	0	1	429.561	4.005	50	5		IIBAMN
CCCC[C@@H](CC)CNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009763139	569566587	/nfs/dbraw/zinc/56/65/87/569566587.db2.gz	RUBGGORAFVZVBJ-QRWLVFNGSA-N	0	1	447.919	4.167	50	5		IIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000248178857	556675412	/nfs/dbraw/zinc/67/54/12/556675412.db2.gz	BXQZNEAZIRJQPO-UARRHKHWSA-N	0	1	427.460	4.080	50	5		IIBAMN
CC(C)Cc1ccc(C(=O)C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000058934329	568758509	/nfs/dbraw/zinc/75/85/09/568758509.db2.gz	RPLWDOWPDATXSK-HSZRJFAPSA-N	0	1	440.540	4.128	50	5		IIBAMN
O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(c1ccccc1)c1ccccc1	ZINC000028845609	569422452	/nfs/dbraw/zinc/42/24/52/569422452.db2.gz	RVQCMMUBWWMSKI-UHFFFAOYSA-N	0	1	444.535	4.013	50	5		IIBAMN
CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)cc2Cl	ZINC000008765708	569474249	/nfs/dbraw/zinc/47/42/49/569474249.db2.gz	WKEINBLLSIPADN-UHFFFAOYSA-N	0	1	438.845	4.280	50	5		IIBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008994198	132300042	/nfs/dbraw/zinc/30/00/42/132300042.db2.gz	FBUZACFTWAVIGW-HYBUGGRVSA-N	0	1	448.479	4.236	50	5		IIBAMN
CC(=O)N1N=C(c2cc(-c3ccc4ccccc4c3)n[nH]2)O[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000021151698	519638398	/nfs/dbraw/zinc/63/83/98/519638398.db2.gz	RAIPMUNELGDNBQ-HSZRJFAPSA-N	0	1	427.420	4.377	50	5		IIBAMN
COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])s3)nc21	ZINC000012345202	524189186	/nfs/dbraw/zinc/18/91/86/524189186.db2.gz	YAGCMVLZBOOUSG-UHFFFAOYSA-N	0	1	440.934	4.136	50	5		IIBAMN
O=C(Nc1ccc(N2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc1)c1ccc(F)cc1	ZINC000034681649	557848439	/nfs/dbraw/zinc/84/84/39/557848439.db2.gz	RKXLQIXVAZQTAU-UHFFFAOYSA-N	0	1	449.486	4.094	50	5		IIBAMN
CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000008779961	569290512	/nfs/dbraw/zinc/29/05/12/569290512.db2.gz	HYLFBEBOVUBAPU-VMPITWQZSA-N	0	1	434.418	4.017	50	5		IIBAMN
CN(C)CCN(C(=O)c1ccccc1[N+](=O)[O-])c1nc2ccc(Br)cc2s1	ZINC000012140807	524059644	/nfs/dbraw/zinc/05/96/44/524059644.db2.gz	CWCIJINUFKMQKL-UHFFFAOYSA-N	0	1	449.330	4.175	50	5		IIBAMN
CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000097162202	556993903	/nfs/dbraw/zinc/99/39/03/556993903.db2.gz	IJWIYPLJLRRDLS-GOSISDBHSA-N	0	1	435.406	4.398	50	5		IIBAMN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000248059920	556659143	/nfs/dbraw/zinc/65/91/43/556659143.db2.gz	PRAVMSFPXRPZKR-OJJQZRKESA-N	0	1	440.503	4.137	50	5		IIBAMN
Cc1cc(N2CCN(Cc3cccc4cccnc43)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000059384639	569461120	/nfs/dbraw/zinc/46/11/20/569461120.db2.gz	MWPWSKCRXYMVTR-UHFFFAOYSA-N	0	1	440.507	4.231	50	5		IIBAMN
COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc([N+](=O)[O-])c1O	ZINC000034908996	568739378	/nfs/dbraw/zinc/73/93/78/568739378.db2.gz	NYLXTTGKKKHHOO-VIZOYTHASA-N	0	1	438.820	4.338	50	5		IIBAMN
CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000004130714	568781255	/nfs/dbraw/zinc/78/12/55/568781255.db2.gz	WDLNPAXABVKALO-UHFFFAOYSA-N	0	1	438.845	4.280	50	5		IIBAMN
Cn1c(-c2ccc(Br)cc2)cnc1NCc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000009805437	569568795	/nfs/dbraw/zinc/56/87/95/569568795.db2.gz	DZUQQMFHSWMASS-UHFFFAOYSA-N	0	1	431.246	4.099	50	5		IIBAMN
O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000012877869	526698736	/nfs/dbraw/zinc/69/87/36/526698736.db2.gz	QOVCAUXMPURDMJ-UHFFFAOYSA-N	0	1	431.876	4.360	50	5		IIBAMN
O=c1c2c[nH]nc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1	ZINC000020663347	527468748	/nfs/dbraw/zinc/46/87/48/527468748.db2.gz	RGIGETCTJKZSLW-UHFFFAOYSA-N	0	1	447.398	4.328	50	5		IIBAMN
O=C(CSc1n[nH]c(CC2CCCC2)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000011499453	557154069	/nfs/dbraw/zinc/15/40/69/557154069.db2.gz	LICGAYBPUXGBKS-UHFFFAOYSA-N	0	1	429.424	4.195	50	5		IIBAMN
O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000011499453	557154072	/nfs/dbraw/zinc/15/40/72/557154072.db2.gz	LICGAYBPUXGBKS-UHFFFAOYSA-N	0	1	429.424	4.195	50	5		IIBAMN
O=C(Nc1ccc(N2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc1)C1CCCCC1	ZINC000034681961	557848454	/nfs/dbraw/zinc/84/84/54/557848454.db2.gz	ZAWJPKSNVAGRJC-UHFFFAOYSA-N	0	1	437.544	4.221	50	5		IIBAMN
O=C1OCCN1c1ccc(N2CCN(Cc3cccc4ccccc43)CC2)c([N+](=O)[O-])c1	ZINC000084598446	568799196	/nfs/dbraw/zinc/79/91/96/568799196.db2.gz	SHVXSGNCAXSPPC-UHFFFAOYSA-N	0	1	432.480	4.027	50	5		IIBAMN
Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000001513297	568839410	/nfs/dbraw/zinc/83/94/10/568839410.db2.gz	PBIKKSBKDIMFRS-UHFFFAOYSA-N	0	1	425.466	4.265	50	5		IIBAMN
O=C1N[C@@H](c2cc([O-])ccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3	ZINC000015947321	556568011	/nfs/dbraw/zinc/56/80/11/556568011.db2.gz	VMWVAZYBPOGNED-HXUWFJFHSA-N	0	1	436.493	4.349	50	5		IIBAMN
O=C1N[C@@H](c2cc([O-])ccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3	ZINC000015947321	556568013	/nfs/dbraw/zinc/56/80/13/556568013.db2.gz	VMWVAZYBPOGNED-HXUWFJFHSA-N	0	1	436.493	4.349	50	5		IIBAMN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000248059900	556659214	/nfs/dbraw/zinc/65/92/14/556659214.db2.gz	PRAVMSFPXRPZKR-CXSMSNRLSA-N	0	1	440.503	4.137	50	5		IIBAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C=C12	ZINC000061996961	556767135	/nfs/dbraw/zinc/76/71/35/556767135.db2.gz	BZUHGFUCNPLPKX-XFLMGFCPSA-N	0	1	439.556	4.031	50	5	biogenic	IIBAMN
COC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000020405724	569363785	/nfs/dbraw/zinc/36/37/85/569363785.db2.gz	FTRJPRLZDREQRA-UHFFFAOYSA-N	0	1	431.492	4.293	50	5		IIBAMN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1	ZINC000009007682	569496172	/nfs/dbraw/zinc/49/61/72/569496172.db2.gz	PRAVMSFPXRPZKR-QORCZRPOSA-N	0	1	440.503	4.137	50	5		IIBAMN
CCOc1cc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)cc(OCC)c1OCC	ZINC000009274769	569518210	/nfs/dbraw/zinc/51/82/10/569518210.db2.gz	FFNBDVCKESBHTP-UHFFFAOYSA-N	0	1	448.457	4.155	50	5		IIBAMN
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000103530230	557438606	/nfs/dbraw/zinc/43/86/06/557438606.db2.gz	XOZOKZRQTDZXOH-FPOVZHCZSA-N	0	1	446.850	4.031	50	5		IIBAMN
COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1	ZINC000009882962	569149927	/nfs/dbraw/zinc/14/99/27/569149927.db2.gz	QAHGNIAHQPNIHV-SNVBAGLBSA-N	0	1	433.877	4.161	50	5		IIBAMN
Cc1ccc(NC(=O)CC2SC(c3ccc(Br)cc3)=NC2=O)c([N+](=O)[O-])c1	ZINC000009509467	569542586	/nfs/dbraw/zinc/54/25/86/569542586.db2.gz	BBTVPTKGWWGIGI-OAHLLOKOSA-N	0	1	448.298	4.083	50	5		IIBAMN
CCCC[C@H](CC)CNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009763138	569566608	/nfs/dbraw/zinc/56/66/08/569566608.db2.gz	RUBGGORAFVZVBJ-MGPUTAFESA-N	0	1	447.919	4.167	50	5		IIBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1[N+](=O)[O-]	ZINC000012520989	525609998	/nfs/dbraw/zinc/60/99/98/525609998.db2.gz	ZVWHFWPAVXWCMI-UHFFFAOYSA-N	0	1	443.403	4.071	50	5		IIBAMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1	ZINC000098086616	557123257	/nfs/dbraw/zinc/12/32/57/557123257.db2.gz	GNXFLIACQNOMMV-UHFFFAOYSA-N	0	1	434.861	4.026	50	5		IIBAMN
O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016096067	568870104	/nfs/dbraw/zinc/87/01/04/568870104.db2.gz	FANCDQDOGRZOFP-UHFFFAOYSA-N	0	1	431.857	4.301	50	5		IIBAMN
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000239306292	569138820	/nfs/dbraw/zinc/13/88/20/569138820.db2.gz	GRFNCMCJJARKOB-IFMALSPDSA-N	0	1	434.540	4.342	50	5		IIBAMN
O=[N+]([O-])c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c(c1)COCO2	ZINC000014093078	557301081	/nfs/dbraw/zinc/30/10/81/557301081.db2.gz	WMGKZHVEDWORLL-UHFFFAOYSA-N	0	1	445.519	4.369	50	5		IIBAMN
O=C(Nc1ccc(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1)c1ccc(F)cc1	ZINC000034681659	557848431	/nfs/dbraw/zinc/84/84/31/557848431.db2.gz	DHWFWJWSVSALKT-UHFFFAOYSA-N	0	1	449.486	4.094	50	5		IIBAMN
CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3n2)CC1	ZINC000020108596	563023711	/nfs/dbraw/zinc/02/37/11/563023711.db2.gz	AIWVAKYCTPDWDE-UHFFFAOYSA-N	0	1	433.512	4.154	50	5		IIBAMN
O=c1oc2c(cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc23)s1	ZINC000008857551	569291289	/nfs/dbraw/zinc/29/12/89/569291289.db2.gz	QUWOAIYBVAQOKI-UHFFFAOYSA-N	0	1	436.854	4.370	50	5		IIBAMN
O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009096960	569501493	/nfs/dbraw/zinc/50/14/93/569501493.db2.gz	NEBBWHHGOHYEDT-UHFFFAOYSA-N	0	1	449.847	4.440	50	5		IIBAMN
O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000069966738	569525883	/nfs/dbraw/zinc/52/58/83/569525883.db2.gz	UUTHJFPXUKTAKR-HSZRJFAPSA-N	0	1	429.561	4.005	50	5		IIBAMN
O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000009646690	569556356	/nfs/dbraw/zinc/55/63/56/569556356.db2.gz	XFMUMIWUSIISPV-UHFFFAOYSA-N	0	1	444.523	4.296	50	5		IIBAMN
C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C=C12	ZINC000409413389	556640828	/nfs/dbraw/zinc/64/08/28/556640828.db2.gz	BZUHGFUCNPLPKX-ILXJSQPFSA-N	0	1	439.556	4.031	50	5		IIBAMN
COc1cccc([C@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2CCN(C)C)c1	ZINC000011614614	557209919	/nfs/dbraw/zinc/20/99/19/557209919.db2.gz	KDGOZXIGARRHSZ-QFIPXVFZSA-N	0	1	428.488	4.062	50	5		IIBAMN
O=C1NC(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)N1	ZINC000002237797	569209588	/nfs/dbraw/zinc/20/95/88/569209588.db2.gz	BZMFQOLKIYFMPV-WDZFZDKYSA-N	0	1	427.722	4.240	50	5		IIBAMN
CCc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N(C)C)cc1	ZINC000012824055	524049221	/nfs/dbraw/zinc/04/92/21/524049221.db2.gz	SCWKKYLLNZKVBN-VWLOTQADSA-N	0	1	427.548	4.136	50	5		IIBAMN
CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc([N+](=O)[O-])cc4C)o2)N3)C1	ZINC000002785205	569421154	/nfs/dbraw/zinc/42/11/54/569421154.db2.gz	SDURSGHJSODHDZ-FQEVSTJZSA-N	0	1	438.509	4.457	50	5		IIBAMN
COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1	ZINC000021138754	523180242	/nfs/dbraw/zinc/18/02/42/523180242.db2.gz	MVDVQAVYUGFKSO-SNVBAGLBSA-N	0	1	433.877	4.161	50	5		IIBAMN
CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)cc2s1	ZINC000012140802	524059366	/nfs/dbraw/zinc/05/93/66/524059366.db2.gz	HRWPKLZYBKHRRN-UHFFFAOYSA-N	0	1	449.330	4.175	50	5		IIBAMN
COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc21	ZINC000012345180	524188500	/nfs/dbraw/zinc/18/85/00/524188500.db2.gz	CYYWPQBIRFZMRQ-UHFFFAOYSA-N	0	1	434.905	4.075	50	5		IIBAMN
COc1ccc(-c2n[nH]cc2-c2c3cnn(C)c3[nH]c3c2oc2cc(=O)cc(O)c23)cc1	ZINC000409415574	556641928	/nfs/dbraw/zinc/64/19/28/556641928.db2.gz	QNMDTIPFHDIJHI-UHFFFAOYSA-N	0	1	427.420	4.345	50	5		IIBAMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4Cl)c(O)c23)cc1	ZINC000100744976	556660119	/nfs/dbraw/zinc/66/01/19/556660119.db2.gz	ALTKAENICPQOPG-TZIWHRDSSA-N	0	1	446.850	4.031	50	5		IIBAMN
COc1c(Cl)cc(S(=O)(=O)Nc2ccc(C)cc2C)c(Br)c1[N+](=O)[O-]	ZINC000084133507	568793929	/nfs/dbraw/zinc/79/39/29/568793929.db2.gz	MHFBTQOAYIZKKB-UHFFFAOYSA-N	0	1	449.710	4.437	50	5		IIBAMN
Cn1ncc2c1nc1c(oc3cc(O)cc(O)c31)c2-c1cc2cccc3c2n(c1=O)CCC3	ZINC000524729261	568903978	/nfs/dbraw/zinc/90/39/78/568903978.db2.gz	LOTVEXRWRWYXDO-UHFFFAOYSA-N	0	1	438.443	4.207	50	5	biogenic	IIBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1	ZINC000003348341	569447251	/nfs/dbraw/zinc/44/72/51/569447251.db2.gz	JUZUXAVLXBUEKA-UHFFFAOYSA-N	0	1	425.182	4.177	50	5		IIBAMN
CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1	ZINC000009357315	569525628	/nfs/dbraw/zinc/52/56/28/569525628.db2.gz	PRAVMSFPXRPZKR-NDBXHCKUSA-N	0	1	440.503	4.137	50	5		IIBAMN
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1	ZINC000002652059	569414973	/nfs/dbraw/zinc/41/49/73/569414973.db2.gz	CNBSXNRGDSAPIV-UHFFFAOYSA-N	0	1	433.877	4.081	50	5		IIBAMN
COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-]	ZINC000009126287	569504871	/nfs/dbraw/zinc/50/48/71/569504871.db2.gz	FNWQWKXUGYVKGG-UHFFFAOYSA-N	0	1	445.419	4.023	50	5		IIBAMN
COC(=O)c1cnc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)c([N+](=O)[O-])c1	ZINC000012370011	522341402	/nfs/dbraw/zinc/34/14/02/522341402.db2.gz	ADUJMRVDOPWYBB-UHFFFAOYSA-N	0	1	426.241	4.020	50	5		IIBAMN
COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])cc3)nc21	ZINC000012345175	524189397	/nfs/dbraw/zinc/18/93/97/524189397.db2.gz	JFABPMACDYMNBC-UHFFFAOYSA-N	0	1	434.905	4.075	50	5		IIBAMN
Cc1ccc([N+](=O)[O-])c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1C	ZINC000012860528	526060048	/nfs/dbraw/zinc/06/00/48/526060048.db2.gz	OTHMIURJFKWQJR-UHFFFAOYSA-N	0	1	425.485	4.324	50	5		IIBAMN
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](c1cccs1)N1CCCC1	ZINC000012523066	527358761	/nfs/dbraw/zinc/35/87/61/527358761.db2.gz	CSVYDGNCVDVQQY-QFIPXVFZSA-N	0	1	431.561	4.170	50	5		IIBAMN
COc1cc(C(=O)Nc2nnc(CSc3ccccc3)s2)c([N+](=O)[O-])cc1OC	ZINC000009355788	569295700	/nfs/dbraw/zinc/29/57/00/569295700.db2.gz	OUHFRNZOIDVBPK-UHFFFAOYSA-N	0	1	432.483	4.008	50	5		IIBAMN
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc12	ZINC000020114371	569334908	/nfs/dbraw/zinc/33/49/08/569334908.db2.gz	APKSTEDVUYDLKL-UHFFFAOYSA-N	0	1	439.903	4.109	50	5		IIBAMN
COc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1	ZINC000009222559	569512812	/nfs/dbraw/zinc/51/28/12/569512812.db2.gz	QOQPBVOIHXTNSJ-NRFANRHFSA-N	0	1	429.542	4.039	50	5		IIBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008814845	132294853	/nfs/dbraw/zinc/29/48/53/132294853.db2.gz	PQZSVUDTJJTAAD-AUSIDOKSSA-N	0	1	434.452	4.010	50	5		IIBAMN
CC(C)n1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000046007489	557019339	/nfs/dbraw/zinc/01/93/39/557019339.db2.gz	WUJZYGXNGJVTNU-UHFFFAOYSA-N	0	1	437.500	4.139	50	5		IIBAMN
CC(C)Cc1ccc(C(=O)C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000058934320	568758534	/nfs/dbraw/zinc/75/85/34/568758534.db2.gz	RPLWDOWPDATXSK-QHCPKHFHSA-N	0	1	440.540	4.128	50	5		IIBAMN
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C=C12	ZINC000059410234	569461201	/nfs/dbraw/zinc/46/12/01/569461201.db2.gz	BZUHGFUCNPLPKX-GVSOOPAKSA-N	0	1	439.556	4.031	50	5	biogenic	IIBAMN
COc1ccccc1[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCC1	ZINC000059782451	556418516	/nfs/dbraw/zinc/41/85/16/556418516.db2.gz	UGOBJEAXCGULOG-QFIPXVFZSA-N	0	1	438.528	4.135	50	5		IIBAMN
O=C1N[C@H](c2cc([O-])ccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3	ZINC000015947323	556568143	/nfs/dbraw/zinc/56/81/43/556568143.db2.gz	VMWVAZYBPOGNED-FQEVSTJZSA-N	0	1	436.493	4.349	50	5		IIBAMN
O=C1N[C@H](c2cc([O-])ccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3	ZINC000015947323	556568145	/nfs/dbraw/zinc/56/81/45/556568145.db2.gz	VMWVAZYBPOGNED-FQEVSTJZSA-N	0	1	436.493	4.349	50	5		IIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000248178853	556674802	/nfs/dbraw/zinc/67/48/02/556674802.db2.gz	BXQZNEAZIRJQPO-CJRSTVEYSA-N	0	1	427.460	4.080	50	5		IIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000248178855	556675324	/nfs/dbraw/zinc/67/53/24/556675324.db2.gz	BXQZNEAZIRJQPO-NEWJYFPISA-N	0	1	427.460	4.080	50	5		IIBAMN
CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000006142945	568845238	/nfs/dbraw/zinc/84/52/38/568845238.db2.gz	NSFYPUMVINONBX-UHFFFAOYSA-N	0	1	432.454	4.407	50	5		IIBAMN
COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc21	ZINC000008871958	569291590	/nfs/dbraw/zinc/29/15/90/569291590.db2.gz	QPYGOEBGYUBNOK-UHFFFAOYSA-N	0	1	440.433	4.390	50	5		IIBAMN
Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4[N+](=O)[O-])C3)[nH]c2c1	ZINC000095462070	569369999	/nfs/dbraw/zinc/36/99/99/569369999.db2.gz	RVZSIVIDFLBYIW-CYBMUJFWSA-N	0	1	434.905	4.001	50	5		IIBAMN
O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)NC(c1ccccc1)c1ccccc1	ZINC000030835620	569449187	/nfs/dbraw/zinc/44/91/87/569449187.db2.gz	GKDIMUPDSZRMCF-UHFFFAOYSA-N	0	1	445.504	4.378	50	5		IIBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008814846	132294859	/nfs/dbraw/zinc/29/48/59/132294859.db2.gz	PQZSVUDTJJTAAD-XXBNENTESA-N	0	1	434.452	4.010	50	5		IIBAMN
Cc1ccc(Nc2nc(NC[C@H](c3ccco3)N3CCCC3)nc(N)c2[N+](=O)[O-])cc1C	ZINC000035681956	525327916	/nfs/dbraw/zinc/32/79/16/525327916.db2.gz	KSAUFYKQKKGSNQ-QGZVFWFLSA-N	0	1	437.504	4.169	50	5		IIBAMN
Cc1cccc(-c2nc3ccccc3[nH]c2=O)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000095945161	569375800	/nfs/dbraw/zinc/37/58/00/569375800.db2.gz	IRIZTGUSYSFQIC-UHFFFAOYSA-N	0	1	436.449	4.020	50	5		IIBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)cc1	ZINC000002781883	569421080	/nfs/dbraw/zinc/42/10/80/569421080.db2.gz	FYGRBSXPHBFMMY-UHFFFAOYSA-N	0	1	445.259	4.086	50	5		IIBAMN
CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1	ZINC000245296628	569502393	/nfs/dbraw/zinc/50/23/93/569502393.db2.gz	MXCAHEBFGHVXDZ-OQMKNBQHSA-N	0	1	439.516	4.479	50	5		IIBAMN
CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000097162201	556993917	/nfs/dbraw/zinc/99/39/17/556993917.db2.gz	IJWIYPLJLRRDLS-SFHVURJKSA-N	0	1	435.406	4.398	50	5		IIBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102737713	557379960	/nfs/dbraw/zinc/37/99/60/557379960.db2.gz	UEWFDSYOPMVXMZ-YPAWHYETSA-N	0	1	447.422	4.093	50	5		IIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1	ZINC000016038071	568868374	/nfs/dbraw/zinc/86/83/74/568868374.db2.gz	BXQZNEAZIRJQPO-OLKYXYMISA-N	0	1	427.460	4.080	50	5		IIBAMN
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)ccc1Cl	ZINC000013097347	569309699	/nfs/dbraw/zinc/30/96/99/569309699.db2.gz	XFKILWDJRRCXED-UHFFFAOYSA-N	0	1	426.075	4.465	50	5		IIBAMN
CCCC[C@H](CC)CNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009763140	569566564	/nfs/dbraw/zinc/56/65/64/569566564.db2.gz	RUBGGORAFVZVBJ-YWZLYKJASA-N	0	1	447.919	4.167	50	5		IIBAMN
CCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCCCCCC	ZINC000038791427	717126164	/nfs/dbraw/zinc/12/61/64/717126164.db2.gz	IQYIEYGHUQSRSF-HXUWFJFHSA-O	0	1	426.555	4.389	50	5		IIBAMN
COc1ccc2cc(-c3c4cnn(C)c4nc4c3oc3cc(O)cc(O)c34)c(=O)[nH]c2c1	ZINC000409415709	556641973	/nfs/dbraw/zinc/64/19/73/556641973.db2.gz	ZKDDLSBSIYVXNU-UHFFFAOYSA-N	0	1	428.404	4.208	50	5	biogenic	IIBAMN
O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000000808501	557217413	/nfs/dbraw/zinc/21/74/13/557217413.db2.gz	DAKGIVDCIHCSAJ-UHFFFAOYSA-N	0	1	431.857	4.301	50	5		IIBAMN
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1	ZINC000009882961	569149883	/nfs/dbraw/zinc/14/98/83/569149883.db2.gz	QAHGNIAHQPNIHV-JTQLQIEISA-N	0	1	433.877	4.161	50	5		IIBAMN
Cc1ccc(-n2c(=O)c3cn[nH]c3nc2SCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000003021089	569435957	/nfs/dbraw/zinc/43/59/57/569435957.db2.gz	NZWYAPOKSIEFKQ-UHFFFAOYSA-N	0	1	427.873	4.271	50	5		IIBAMN
CC1(C)CC(Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1	ZINC000012541871	520287239	/nfs/dbraw/zinc/28/72/39/520287239.db2.gz	FKIOTAATYFANOS-UHFFFAOYSA-N	0	1	432.546	4.117	50	5		IIBAMN
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1	ZINC000021138751	523178045	/nfs/dbraw/zinc/17/80/45/523178045.db2.gz	MVDVQAVYUGFKSO-JTQLQIEISA-N	0	1	433.877	4.161	50	5		IIBAMN
COCCN1C(=O)c2n[nH]c(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccc(Cl)cc1Cl	ZINC000035169969	523808013	/nfs/dbraw/zinc/80/80/13/523808013.db2.gz	KXAFKJYNYYUPMV-LJQANCHMSA-N	0	1	447.278	4.483	50	5		IIBAMN
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1	ZINC000024761707	557134966	/nfs/dbraw/zinc/13/49/66/557134966.db2.gz	XKCVJRXZUQZZRE-UHFFFAOYSA-N	0	1	445.951	4.099	50	5		IIBAMN
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	ZINC000008454260	569464966	/nfs/dbraw/zinc/46/49/66/569464966.db2.gz	FYRQYIFVYYLZPG-UHFFFAOYSA-N	0	1	429.408	4.016	50	5		IIBAMN
CCc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N(C)C)cc1	ZINC000012824053	524029187	/nfs/dbraw/zinc/02/91/87/524029187.db2.gz	SCWKKYLLNZKVBN-RUZDIDTESA-N	0	1	427.548	4.136	50	5		IIBAMN
Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-]	ZINC000012812904	525747780	/nfs/dbraw/zinc/74/77/80/525747780.db2.gz	PPEVNOXELNFBIV-UHFFFAOYSA-N	0	1	433.877	4.020	50	5		IIBAMN
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000018118092	527119838	/nfs/dbraw/zinc/11/98/38/527119838.db2.gz	XOZOKZRQTDZXOH-TZIWHRDSSA-N	0	1	446.850	4.031	50	5		IIBAMN
C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@@H]3C=C12	ZINC000409413386	556640753	/nfs/dbraw/zinc/64/07/53/556640753.db2.gz	BZUHGFUCNPLPKX-CFUVXLCISA-N	0	1	439.556	4.031	50	5		IIBAMN
COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@@H]2C(=O)c2ccccc2)cc1	ZINC000008830214	562964802	/nfs/dbraw/zinc/96/48/02/562964802.db2.gz	BXQZNEAZIRJQPO-ZJZGAYNASA-N	0	1	427.460	4.080	50	5		IIBAMN
CCOC(=O)c1c2c(sc1[N-]C(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)[NH2+]C(C)(C)C2	ZINC000009639827	569297551	/nfs/dbraw/zinc/29/75/51/569297551.db2.gz	DWGSXNATVAGHKZ-UHFFFAOYSA-N	0	1	437.543	4.306	50	5		IIBAMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008994199	132300045	/nfs/dbraw/zinc/30/00/45/132300045.db2.gz	FBUZACFTWAVIGW-YKSBVNFPSA-N	0	1	448.479	4.236	50	5		IIBAMN
CC(=O)N1N=C(c2cc(-c3ccc4ccccc4c3)n[nH]2)O[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000021151701	519638293	/nfs/dbraw/zinc/63/82/93/519638293.db2.gz	RAIPMUNELGDNBQ-QHCPKHFHSA-N	0	1	427.420	4.377	50	5		IIBAMN
Cc1ccc(Nc2nc(NC[C@@H](c3ccco3)N3CCCC3)nc(N)c2[N+](=O)[O-])cc1C	ZINC000035681955	525326997	/nfs/dbraw/zinc/32/69/97/525326997.db2.gz	KSAUFYKQKKGSNQ-KRWDZBQOSA-N	0	1	437.504	4.169	50	5		IIBAMN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc([N+](=O)[O-])c1O	ZINC000037342274	569159994	/nfs/dbraw/zinc/15/99/94/569159994.db2.gz	RQAXTGNZGAWOQJ-GIDUJCDVSA-N	0	1	438.820	4.338	50	5		IIBAMN
COC(=O)c1ccc(N2CCC(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)c([N+](=O)[O-])c1	ZINC000013142726	536731305	/nfs/dbraw/zinc/73/13/05/536731305.db2.gz	ZMIRPKQRKYFMDH-UHFFFAOYSA-N	0	1	436.468	4.164	50	5	aggregator	IIBAMN
Cc1ccc(NC(=O)CC2SC(c3ccc(Br)cc3)=NC2=O)c([N+](=O)[O-])c1	ZINC000009509468	569542570	/nfs/dbraw/zinc/54/25/70/569542570.db2.gz	BBTVPTKGWWGIGI-HNNXBMFYSA-N	0	1	448.298	4.083	50	5		IIBAMN
COCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3Cl)c2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000035170061	523807188	/nfs/dbraw/zinc/80/71/88/523807188.db2.gz	IDBJAHRJNCMNMU-LJQANCHMSA-N	0	1	447.278	4.483	50	5		IIBAMN
COCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3Cl)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000035170062	523807827	/nfs/dbraw/zinc/80/78/27/523807827.db2.gz	IDBJAHRJNCMNMU-IBGZPJMESA-N	0	1	447.278	4.483	50	5		IIBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1Cl	ZINC000012552594	527339918	/nfs/dbraw/zinc/33/99/18/527339918.db2.gz	CVNXGGJCVKMQOW-UHFFFAOYSA-N	0	1	446.794	4.254	50	5		IIBAMN
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1cccs1)N1CCCC1	ZINC000012523065	527358639	/nfs/dbraw/zinc/35/86/39/527358639.db2.gz	CSVYDGNCVDVQQY-JOCHJYFZSA-N	0	1	431.561	4.170	50	5		IIBAMN
COc1cc(/C=C2\c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000033749956	556630536	/nfs/dbraw/zinc/63/05/36/556630536.db2.gz	IVJCUSFGRQYWOD-YBFXNURJSA-N	0	1	430.416	4.345	50	5		IIBAMN
COc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000037587974	569202069	/nfs/dbraw/zinc/20/20/69/569202069.db2.gz	CNOYZNYCOPZRCF-UHFFFAOYSA-N	0	1	441.528	4.266	50	5		IIBAMN
Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4[N+](=O)[O-])C3)[nH]c2c1	ZINC000095462071	569369976	/nfs/dbraw/zinc/36/99/76/569369976.db2.gz	RVZSIVIDFLBYIW-ZDUSSCGKSA-N	0	1	434.905	4.001	50	5		IIBAMN