smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(C[C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000058209928	205262151	/nfs/dbraw/zinc/26/21/51/205262151.db2.gz	SXUSGEADOUPGAU-VBQJREDUSA-N	0	1	360.414	1.928	50	5		FDBAMN
CC(C)[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N1CCN(C)CC1	ZINC000024765938	519014222	/nfs/dbraw/zinc/01/42/22/519014222.db2.gz	KLXUTAABSPZJSN-AWEZNQCLSA-N	0	1	374.445	1.287	50	5		FDBAMN
CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000006623499	204256825	/nfs/dbraw/zinc/25/68/25/204256825.db2.gz	CDPQBQNKRCUUHQ-UHFFFAOYSA-N	0	1	356.381	1.799	50	5		FDBAMN
COc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000012931608	518644219	/nfs/dbraw/zinc/64/42/19/518644219.db2.gz	LKWYKSRAXFGNPP-UHFFFAOYSA-N	0	1	355.416	1.509	50	5		FDBAMN
Cc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000032932033	519554723	/nfs/dbraw/zinc/55/47/23/519554723.db2.gz	QMGQFZUEDNFINB-KBPBESRZSA-N	0	1	367.427	1.773	50	5		FDBAMN
CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000004270535	204129499	/nfs/dbraw/zinc/12/94/99/204129499.db2.gz	QFCLZVNXPAXMAY-UHFFFAOYSA-N	0	1	356.381	1.799	50	5		FDBAMN
CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000004270534	204129817	/nfs/dbraw/zinc/12/98/17/204129817.db2.gz	GZHGCKQPKUWXHH-UHFFFAOYSA-N	0	1	356.381	1.799	50	5		FDBAMN
COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	ZINC000036180228	205007042	/nfs/dbraw/zinc/00/70/42/205007042.db2.gz	JVBKBXDFLJSEDK-BJMVGYQFSA-N	0	1	368.323	1.518	50	5		FDBAMN
COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000036229322	205009465	/nfs/dbraw/zinc/00/94/65/205009465.db2.gz	PGWFUBSWGAQANV-LBPRGKRZSA-N	0	1	351.315	1.452	50	5		FDBAMN
CCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000013507210	518658592	/nfs/dbraw/zinc/65/85/92/518658592.db2.gz	WDNDPXJAUNUOFK-CYBMUJFWSA-O	0	1	356.376	1.311	50	5	in-man	FDBAMN
C[C@@H]1CN(C[C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000058209930	205262799	/nfs/dbraw/zinc/26/27/99/205262799.db2.gz	SXUSGEADOUPGAU-CPUCHLNUSA-N	0	1	360.414	1.928	50	5		FDBAMN
CN1CCN(CCCN2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004906016	206185403	/nfs/dbraw/zinc/18/54/03/206185403.db2.gz	QGPWMGQFLHUUKX-QGZVFWFLSA-N	0	1	364.471	1.806	50	5		FDBAMN
CCN(CC)S(=O)(=O)c1ccc(-n2[nH]c(C)cc2=O)c([N+](=O)[O-])c1	ZINC000102231241	570829034	/nfs/dbraw/zinc/82/90/34/570829034.db2.gz	MBQJTUONZMVBJW-UHFFFAOYSA-N	0	1	354.388	1.825	50	5		FDBAMN
Cc1nn(CC(=O)NC2CCN(Cc3ccccn3)CC2)c(C)c1[N+](=O)[O-]	ZINC000048363822	205161427	/nfs/dbraw/zinc/16/14/27/205161427.db2.gz	HBSZMUDZYDDJGZ-UHFFFAOYSA-N	0	1	372.429	1.584	50	5		FDBAMN
CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000035961611	519613248	/nfs/dbraw/zinc/61/32/48/519613248.db2.gz	RYAGVQAPTVCCBA-CYBMUJFWSA-N	0	1	365.342	1.890	50	5		FDBAMN
O=C(NC[C@H](NCc1ccccc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	ZINC000328592396	571323629	/nfs/dbraw/zinc/32/36/29/571323629.db2.gz	YBZXJOXKUZBXKO-NSHDSACASA-N	0	1	357.292	1.768	50	5		FDBAMN
C[C@@H]1CN(C[C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000106147624	206013611	/nfs/dbraw/zinc/01/36/11/206013611.db2.gz	SXUSGEADOUPGAU-JKIFEVAISA-N	0	1	360.414	1.928	50	5		FDBAMN
COc1cc([C@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc([N+](=O)[O-])c1O	ZINC000020086521	518843810	/nfs/dbraw/zinc/84/38/10/518843810.db2.gz	KMIXOKHADKEWIE-LBPRGKRZSA-N	0	1	358.310	1.709	50	5		FDBAMN
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000036042410	205002451	/nfs/dbraw/zinc/00/24/51/205002451.db2.gz	LDLRZDOGUJMHHZ-ZDUSSCGKSA-N	0	1	365.342	1.890	50	5		FDBAMN
Nc1nc(N2CC(=O)C(CCc3ccccc3)C(=O)C2)ncc1[N+](=O)[O-]	ZINC000062022634	136132742	/nfs/dbraw/zinc/13/27/42/136132742.db2.gz	LVJPBHMKLGVJQW-UHFFFAOYSA-N	0	1	355.354	1.174	50	5		FDBAMN
Cc1cc([N+](=O)[O-])c(NCC(C)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000033354444	519587203	/nfs/dbraw/zinc/58/72/03/519587203.db2.gz	KPHRUIADSSDCFH-UHFFFAOYSA-N	0	1	374.222	1.401	50	5		FDBAMN
Cc1n[nH]c(C(=O)N[C@@H](Cc2cnc[nH]2)Cc2ccccc2)c1[N+](=O)[O-]	ZINC000089522601	525468629	/nfs/dbraw/zinc/46/86/29/525468629.db2.gz	QOFUKGLPKARIRA-CYBMUJFWSA-N	0	1	354.370	1.933	50	5		FDBAMN
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000058426304	522259201	/nfs/dbraw/zinc/25/92/01/522259201.db2.gz	OOQQZEPIHPPALW-KBPBESRZSA-N	0	1	360.366	1.544	50	5		FDBAMN
O=C(NCCCCN1CCOCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000040154772	208237699	/nfs/dbraw/zinc/23/76/99/208237699.db2.gz	QTTXSHAVSYVLMP-UHFFFAOYSA-N	0	1	373.413	1.623	50	5		FDBAMN
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000058426301	522259802	/nfs/dbraw/zinc/25/98/02/522259802.db2.gz	OOQQZEPIHPPALW-KGLIPLIRSA-N	0	1	360.366	1.544	50	5		FDBAMN
O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccc(O)cc1[N+](=O)[O-]	ZINC000170595811	525637627	/nfs/dbraw/zinc/63/76/27/525637627.db2.gz	NJVGEPZANVCTLZ-GFCCVEGCSA-N	0	1	350.302	1.609	50	5		FDBAMN
O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1-c1nnc[nH]1	ZINC000040288453	208247496	/nfs/dbraw/zinc/24/74/96/208247496.db2.gz	FOEMAJKNMIGDCL-UHFFFAOYSA-N	0	1	357.333	1.203	50	5		FDBAMN
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009510191	518508660	/nfs/dbraw/zinc/50/86/60/518508660.db2.gz	XVIVIDNZHKQOCG-UHFFFAOYSA-N	0	1	357.369	1.043	50	5		FDBAMN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1O	ZINC000019799943	518838153	/nfs/dbraw/zinc/83/81/53/518838153.db2.gz	FNYUMAFGASWOHR-LBPRGKRZSA-N	0	1	351.315	1.500	50	5		FDBAMN
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000023740926	518963846	/nfs/dbraw/zinc/96/38/46/518963846.db2.gz	FOKMTJJFCXIPFS-MRXNPFEDSA-N	0	1	356.382	1.850	50	5		FDBAMN
CC(=O)C(C(C)=O)[C@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000100702872	525215308	/nfs/dbraw/zinc/21/53/08/525215308.db2.gz	PHJVQJFVPDXAEK-GOEBONIOSA-N	0	1	365.407	1.912	50	5		FDBAMN
O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000240333661	527121943	/nfs/dbraw/zinc/12/19/43/527121943.db2.gz	FEQVHZPSRJOHJH-HZSPNIEDSA-N	0	1	353.325	1.950	50	5		FDBAMN
CCCCn1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O	ZINC000040372903	208248757	/nfs/dbraw/zinc/24/87/57/208248757.db2.gz	RXDSLRVHWCLUDB-UHFFFAOYSA-N	0	1	350.382	1.927	50	5		FDBAMN
Cc1cc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)ccc1[N+](=O)[O-]	ZINC000047672161	136122869	/nfs/dbraw/zinc/12/28/69/136122869.db2.gz	NFJGBKXGDULPRM-UHFFFAOYSA-N	0	1	369.425	1.980	50	5		FDBAMN
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1	ZINC000025044541	519032998	/nfs/dbraw/zinc/03/29/98/519032998.db2.gz	IWSSAJQYBBBPHF-MLGOLLRUSA-N	0	1	365.386	1.442	50	5		FDBAMN
O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000071812663	522136523	/nfs/dbraw/zinc/13/65/23/522136523.db2.gz	FEQVHZPSRJOHJH-IHRRRGAJSA-N	0	1	353.325	1.950	50	5		FDBAMN
Cc1n[nH]c(C(=O)N[C@H](Cc2cnc[nH]2)Cc2ccccc2)c1[N+](=O)[O-]	ZINC000089522598	525468125	/nfs/dbraw/zinc/46/81/25/525468125.db2.gz	QOFUKGLPKARIRA-ZDUSSCGKSA-N	0	1	354.370	1.933	50	5		FDBAMN
Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008399795	518474834	/nfs/dbraw/zinc/47/48/34/518474834.db2.gz	QFTARUFYIGJZGX-UHFFFAOYSA-N	0	1	371.396	1.351	50	5		FDBAMN
NS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009510187	518508545	/nfs/dbraw/zinc/50/85/45/518508545.db2.gz	HFPZGEUCEHAZOW-UHFFFAOYSA-N	0	1	357.369	1.043	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NC[C@H]3CCCO3)[C@H]2C1	ZINC000245326523	571097501	/nfs/dbraw/zinc/09/75/01/571097501.db2.gz	FRJORIPIMKZPGU-SOLBZPMBSA-N	0	1	374.441	1.183	50	5		FDBAMN
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000036144753	208149756	/nfs/dbraw/zinc/14/97/56/208149756.db2.gz	HNDVCKWGZHHLID-GFCCVEGCSA-N	0	1	351.315	1.500	50	5		FDBAMN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1O	ZINC000019799944	518838400	/nfs/dbraw/zinc/83/84/00/518838400.db2.gz	FNYUMAFGASWOHR-GFCCVEGCSA-N	0	1	351.315	1.500	50	5		FDBAMN
CNC(=O)c1ccc(N2CCN([C@@H]3CCSC3)CC2)c([N+](=O)[O-])c1	ZINC000079076565	523699789	/nfs/dbraw/zinc/69/97/89/523699789.db2.gz	CKEBKVXBINGYIN-CYBMUJFWSA-N	0	1	350.444	1.582	50	5		FDBAMN
CNC(=O)c1ccc(N2CCN([C@H]3CCSC3)CC2)c([N+](=O)[O-])c1	ZINC000079076570	523700321	/nfs/dbraw/zinc/70/03/21/523700321.db2.gz	CKEBKVXBINGYIN-ZDUSSCGKSA-N	0	1	350.444	1.582	50	5		FDBAMN
O=C(NC[C@@H](NCc1ccccc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	ZINC000328592395	571323620	/nfs/dbraw/zinc/32/36/20/571323620.db2.gz	YBZXJOXKUZBXKO-LLVKDONJSA-N	0	1	357.292	1.768	50	5		FDBAMN
Cc1[nH]nc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1[N+](=O)[O-]	ZINC000078752459	523645668	/nfs/dbraw/zinc/64/56/68/523645668.db2.gz	JGCMJVHMXWSUJN-NSHDSACASA-N	0	1	355.358	1.689	50	5		FDBAMN
CCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000045805644	522163487	/nfs/dbraw/zinc/16/34/87/522163487.db2.gz	BUMIFSWVDRWNLV-UHFFFAOYSA-N	0	1	357.432	1.708	50	5		FDBAMN
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(N2CCNC2=O)CC1	ZINC000040155244	519641690	/nfs/dbraw/zinc/64/16/90/519641690.db2.gz	WNFQGORHDPVFBZ-UHFFFAOYSA-N	0	1	358.358	1.101	50	5		FDBAMN
Cc1nn(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1Br	ZINC000006413249	518371559	/nfs/dbraw/zinc/37/15/59/518371559.db2.gz	XCXCVDLEOSEEDK-UHFFFAOYSA-N	0	1	371.195	1.714	50	5		FDBAMN
COc1ccccc1C(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005966603	518359490	/nfs/dbraw/zinc/35/94/90/518359490.db2.gz	KLYFBRIGJAYMHO-UHFFFAOYSA-N	0	1	358.306	1.717	50	5		FDBAMN
O=C(c1cnn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1O	ZINC000008515382	518478518	/nfs/dbraw/zinc/47/85/18/518478518.db2.gz	XNSIBGWBWSWVLF-UHFFFAOYSA-N	0	1	373.346	1.965	50	5		FDBAMN
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O	ZINC000034805672	519597239	/nfs/dbraw/zinc/59/72/39/519597239.db2.gz	HMUVNDUXYVHYPO-ZDUSSCGKSA-N	0	1	365.342	1.889	50	5		FDBAMN
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCc1cccnc1	ZINC000019842857	527362266	/nfs/dbraw/zinc/36/22/66/527362266.db2.gz	IHILVEGWVIQREZ-UHFFFAOYSA-N	0	1	357.414	1.716	50	5		FDBAMN
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@@H]1c1cc([N+](=O)[O-])ccc1O	ZINC000037062872	958415067	/nfs/dbraw/zinc/41/50/67/958415067.db2.gz	VXZXOMDZRJBUGH-LBPRGKRZSA-N	0	1	360.326	1.590	50	5		FDBAMN
O=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1n[nH]c(-c2cn[nH]c2)c1[N+](=O)[O-]	ZINC000016383438	220183619	/nfs/dbraw/zinc/18/36/19/220183619.db2.gz	LHTOAAGOSOXVSY-UHFFFAOYSA-N	0	1	356.262	1.396	50	5		FDBAMN
O=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1[nH]nc(-c2cn[nH]c2)c1[N+](=O)[O-]	ZINC000016383438	220183621	/nfs/dbraw/zinc/18/36/21/220183621.db2.gz	LHTOAAGOSOXVSY-UHFFFAOYSA-N	0	1	356.262	1.396	50	5		FDBAMN
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1	ZINC000225736274	537558320	/nfs/dbraw/zinc/55/83/20/537558320.db2.gz	MJLKMHXGHOBVRW-MAUKXSAKSA-N	0	1	359.382	1.883	50	5		FDBAMN
CCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000013544128	211038955	/nfs/dbraw/zinc/03/89/55/211038955.db2.gz	RGIOGDXWJBHLCU-CQSZACIVSA-O	0	1	370.403	1.701	50	5		FDBAMN
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000095469366	132211537	/nfs/dbraw/zinc/21/15/37/132211537.db2.gz	RGLAEKBEYAOTHN-UHFFFAOYSA-N	0	1	370.413	1.885	50	5		FDBAMN
CC(=O)C(C(C)=O)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000100702875	222250859	/nfs/dbraw/zinc/25/08/59/222250859.db2.gz	PHJVQJFVPDXAEK-GDBMZVCRSA-N	0	1	365.407	1.912	50	5		FDBAMN
COc1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000012812854	518637559	/nfs/dbraw/zinc/63/75/59/518637559.db2.gz	NNMAKACSSXOBMQ-UHFFFAOYSA-N	0	1	365.434	1.751	50	5		FDBAMN
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@@H+]1CCc2ccccc2C1	ZINC000025637468	519074228	/nfs/dbraw/zinc/07/42/28/519074228.db2.gz	SHFBDHRANWZNQZ-LBPRGKRZSA-N	0	1	356.382	1.872	50	5		FDBAMN
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@H+]1CCc2ccccc2C1	ZINC000025637468	519074233	/nfs/dbraw/zinc/07/42/33/519074233.db2.gz	SHFBDHRANWZNQZ-LBPRGKRZSA-N	0	1	356.382	1.872	50	5		FDBAMN
O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000005263127	132828006	/nfs/dbraw/zinc/82/80/06/132828006.db2.gz	UIJUBXHXEBAIGZ-UHFFFAOYSA-N	0	1	367.365	1.982	50	5		FDBAMN
CN1CCN(c2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3)ccn2)CC1	ZINC000047398294	136122758	/nfs/dbraw/zinc/12/27/58/136122758.db2.gz	RCJUFACLZFJQHC-UHFFFAOYSA-N	0	1	355.398	1.672	50	5		FDBAMN
CN(C)CCNS(=O)(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1	ZINC000005688221	518351970	/nfs/dbraw/zinc/35/19/70/518351970.db2.gz	SMTMTNQLIXAJPO-UHFFFAOYSA-N	0	1	356.448	1.789	50	5		FDBAMN
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000004832194	518315373	/nfs/dbraw/zinc/31/53/73/518315373.db2.gz	VAMVYBHBKNQEPE-UHFFFAOYSA-N	0	1	355.306	1.925	50	5		FDBAMN
CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc([N+](=O)[O-])c1	ZINC000089490016	524506215	/nfs/dbraw/zinc/50/62/15/524506215.db2.gz	FWSXRFFIARAKJN-JTQLQIEISA-N	0	1	364.383	1.009	50	5		FDBAMN
Cc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1	ZINC000049942423	221029082	/nfs/dbraw/zinc/02/90/82/221029082.db2.gz	RJURCCSGNKOENL-UHFFFAOYSA-N	0	1	371.360	1.511	50	5		FDBAMN
O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000071812661	221378284	/nfs/dbraw/zinc/37/82/84/221378284.db2.gz	FEQVHZPSRJOHJH-RDBSUJKOSA-N	0	1	353.325	1.950	50	5		FDBAMN
CC(C)NS(=O)(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1	ZINC000008178111	518460471	/nfs/dbraw/zinc/46/04/71/518460471.db2.gz	QOPAVYLDAMLSJX-UHFFFAOYSA-N	0	1	356.448	1.423	50	5		FDBAMN
O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000033014984	519564385	/nfs/dbraw/zinc/56/43/85/519564385.db2.gz	LNQDAXSMMQUWOW-ZWKOTPCHSA-N	0	1	365.430	1.273	50	5		FDBAMN
CC[NH+](CC)CCCN[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000054173044	523587729	/nfs/dbraw/zinc/58/77/29/523587729.db2.gz	JSCMWLRJVUGITK-HNNXBMFYSA-N	0	1	366.418	1.698	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3ccco3)[C@H]2C1	ZINC000248082881	537165867	/nfs/dbraw/zinc/16/58/67/537165867.db2.gz	ATMCHCSYOBPFDH-SJLPKXTDSA-N	0	1	370.409	1.797	50	5		FDBAMN
CCCCOC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	ZINC000059381686	136132143	/nfs/dbraw/zinc/13/21/43/136132143.db2.gz	MIZLTCCSCSRYBN-OAHLLOKOSA-N	0	1	352.435	1.477	50	5		FDBAMN
CN1CCN(CCCN2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004906015	518319002	/nfs/dbraw/zinc/31/90/02/518319002.db2.gz	QGPWMGQFLHUUKX-KRWDZBQOSA-N	0	1	364.471	1.806	50	5		FDBAMN
CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000035961613	519613825	/nfs/dbraw/zinc/61/38/25/519613825.db2.gz	RYAGVQAPTVCCBA-ZDUSSCGKSA-N	0	1	365.342	1.890	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NC[C@H]3CCCO3)[C@@H]2C1	ZINC000245326521	571097464	/nfs/dbraw/zinc/09/74/64/571097464.db2.gz	FRJORIPIMKZPGU-RYRKJORJSA-N	0	1	374.441	1.183	50	5		FDBAMN
Cc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000032932037	519554649	/nfs/dbraw/zinc/55/46/49/519554649.db2.gz	QMGQFZUEDNFINB-UONOGXRCSA-N	0	1	367.427	1.773	50	5		FDBAMN
O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1-c1nnc[nH]1	ZINC000040267065	519642195	/nfs/dbraw/zinc/64/21/95/519642195.db2.gz	KLXMQOHNRDPAFU-UHFFFAOYSA-N	0	1	357.333	1.203	50	5		FDBAMN
CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000170609208	525641044	/nfs/dbraw/zinc/64/10/44/525641044.db2.gz	SKDPAAHYWXSCEF-UHFFFAOYSA-N	0	1	368.371	1.614	50	5		FDBAMN
CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000005787847	219699458	/nfs/dbraw/zinc/69/94/58/219699458.db2.gz	ZVXKVLJEVZFELD-ZDUSSCGKSA-N	0	1	365.367	1.679	50	5		FDBAMN
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000058426308	221119232	/nfs/dbraw/zinc/11/92/32/221119232.db2.gz	OOQQZEPIHPPALW-UONOGXRCSA-N	0	1	360.366	1.544	50	5		FDBAMN
Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000032932035	519554462	/nfs/dbraw/zinc/55/44/62/519554462.db2.gz	QMGQFZUEDNFINB-ZIAGYGMSSA-N	0	1	367.427	1.773	50	5		FDBAMN
CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000012521453	220001642	/nfs/dbraw/zinc/00/16/42/220001642.db2.gz	WRFPGFSFLXZEQZ-UHFFFAOYSA-N	0	1	371.396	1.767	50	5		FDBAMN
CC(=O)C(C(C)=O)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000100702869	222251089	/nfs/dbraw/zinc/25/10/89/222251089.db2.gz	PHJVQJFVPDXAEK-ZBFHGGJFSA-N	0	1	365.407	1.912	50	5		FDBAMN
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000036229325	519618452	/nfs/dbraw/zinc/61/84/52/519618452.db2.gz	PGWFUBSWGAQANV-GFCCVEGCSA-N	0	1	351.315	1.452	50	5		FDBAMN
N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F	ZINC000170684712	525677343	/nfs/dbraw/zinc/67/73/43/525677343.db2.gz	KVTAWROXUUWGFT-CQSZACIVSA-N	0	1	357.338	1.851	50	5		FDBAMN
CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000005787845	518354621	/nfs/dbraw/zinc/35/46/21/518354621.db2.gz	ZVXKVLJEVZFELD-CYBMUJFWSA-N	0	1	365.367	1.679	50	5		FDBAMN
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000058426306	221119361	/nfs/dbraw/zinc/11/93/61/221119361.db2.gz	OOQQZEPIHPPALW-ZIAGYGMSSA-N	0	1	360.366	1.544	50	5		FDBAMN
O=C(c1[nH]nc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000060359200	136132441	/nfs/dbraw/zinc/13/24/41/136132441.db2.gz	LABYQUDBNQFRAN-UHFFFAOYSA-N	0	1	352.354	1.829	50	5		FDBAMN
O=C(c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c[nH]1)N1CCCC1	ZINC000029434885	519293163	/nfs/dbraw/zinc/29/31/63/519293163.db2.gz	BGCGGKCDXZYYTC-UHFFFAOYSA-N	0	1	364.383	1.960	50	5		FDBAMN
COc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000170684725	525677666	/nfs/dbraw/zinc/67/76/66/525677666.db2.gz	ARQJOJCGZCEAIP-CQSZACIVSA-N	0	1	351.384	1.582	50	5		FDBAMN
COc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000170684727	525677873	/nfs/dbraw/zinc/67/78/73/525677873.db2.gz	ARQJOJCGZCEAIP-AWEZNQCLSA-N	0	1	351.384	1.582	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3ccco3)[C@@H]2C1	ZINC000104915175	570864052	/nfs/dbraw/zinc/86/40/52/570864052.db2.gz	ATMCHCSYOBPFDH-AEFFLSMTSA-N	0	1	370.409	1.797	50	5		FDBAMN
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000036042408	205002472	/nfs/dbraw/zinc/00/24/72/205002472.db2.gz	LDLRZDOGUJMHHZ-CYBMUJFWSA-N	0	1	365.342	1.890	50	5		FDBAMN
O=c1c2cc3c(ccn(-c4nnc[nH]4)c3=O)nc2ccn1Cc1cccnc1	ZINC000036353397	205011841	/nfs/dbraw/zinc/01/18/41/205011841.db2.gz	JFSVOIAAMDXZIB-UHFFFAOYSA-N	0	1	371.360	1.262	50	5		FDBAMN
C[C@@H]1CN(C[C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000106147617	206013678	/nfs/dbraw/zinc/01/36/78/206013678.db2.gz	SXUSGEADOUPGAU-CKEIUWERSA-N	0	1	360.414	1.928	50	5		FDBAMN
Cc1nn(CC(=O)NC[C@H](c2ccsc2)N(C)C)c(C)c1[N+](=O)[O-]	ZINC000025329259	204834180	/nfs/dbraw/zinc/83/41/80/204834180.db2.gz	PQRYQTDIFHEPDQ-CYBMUJFWSA-N	0	1	351.432	1.889	50	5		FDBAMN
NNc1ncnc2c1C(c1cccc([N+](=O)[O-])c1)c1c(NN)ncnc1O2	ZINC000027549175	519181646	/nfs/dbraw/zinc/18/16/46/519181646.db2.gz	LWVTVNFXGDHGAA-UHFFFAOYSA-N	0	1	367.329	1.032	50	5		FDBAMN
O=c1c2cc3c(ccn(-c4nnc[nH]4)c3=O)nc2ccn1Cc1ccccn1	ZINC000030907862	519399588	/nfs/dbraw/zinc/39/95/88/519399588.db2.gz	SGPWJQMQYPPMQQ-UHFFFAOYSA-N	0	1	371.360	1.262	50	5		FDBAMN
COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)c1N	ZINC000170619881	525646626	/nfs/dbraw/zinc/64/66/26/525646626.db2.gz	XESYMXSIIAHMNC-UHFFFAOYSA-N	0	1	369.330	1.904	50	5		FDBAMN
CC(C)CCn1ccc2nc3ccn(-c4nnc[nH]4)c(=O)c3cc2c1=O	ZINC000040267891	205064016	/nfs/dbraw/zinc/06/40/16/205064016.db2.gz	XODSIIPRGIBVTL-UHFFFAOYSA-N	0	1	350.382	1.865	50	5		FDBAMN
O=C(NCCNc1nc2ccccn2c1[N+](=O)[O-])c1n[nH]c2ccccc21	ZINC000058224345	205263536	/nfs/dbraw/zinc/26/35/36/205263536.db2.gz	PPMHQERIXWMYDV-UHFFFAOYSA-N	0	1	365.353	1.961	50	5		FDBAMN
COCc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1	ZINC000002484440	204041571	/nfs/dbraw/zinc/04/15/71/204041571.db2.gz	NRNJRMUTJQTSSO-UHFFFAOYSA-N	0	1	354.344	1.862	50	5		FDBAMN
COc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1O	ZINC000009318938	204363967	/nfs/dbraw/zinc/36/39/67/204363967.db2.gz	LLSCBDZEBXYCBN-AWEZNQCLSA-N	0	1	354.326	1.755	50	5		FDBAMN
CC(C)(C)OC(=O)NCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1	ZINC000095979951	205801512	/nfs/dbraw/zinc/80/15/12/205801512.db2.gz	DNAUCNUMUFSNRZ-UHFFFAOYSA-N	0	1	353.379	1.885	50	5		FDBAMN
COc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1O	ZINC000009318934	204363570	/nfs/dbraw/zinc/36/35/70/204363570.db2.gz	LLSCBDZEBXYCBN-CQSZACIVSA-N	0	1	354.326	1.755	50	5		FDBAMN
CCCS(=O)(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000052642994	205186970	/nfs/dbraw/zinc/18/69/70/205186970.db2.gz	KYKFYBIWWMLFJG-UHFFFAOYSA-N	0	1	355.460	1.931	50	5		FDBAMN
CN1CCN(CCCN2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)CC1	ZINC000000859736	518222608	/nfs/dbraw/zinc/22/26/08/518222608.db2.gz	WEQYVLCSNSTNAK-KRWDZBQOSA-N	0	1	364.471	1.806	50	5		FDBAMN
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1	ZINC000025044534	519033902	/nfs/dbraw/zinc/03/39/02/519033902.db2.gz	IWSSAJQYBBBPHF-WBMJQRKESA-N	0	1	365.386	1.442	50	5		FDBAMN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1	ZINC000005579541	518350280	/nfs/dbraw/zinc/35/02/80/518350280.db2.gz	MRPRBIHRHGYTOZ-UHFFFAOYSA-N	0	1	364.383	1.627	50	5		FDBAMN
CCc1nc2n(n1)C(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)N2	ZINC000030874520	519397590	/nfs/dbraw/zinc/39/75/90/519397590.db2.gz	HVBQMYUCPFTYTD-JTQLQIEISA-N	0	1	360.330	1.279	50	5		FDBAMN
O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000033014980	519564927	/nfs/dbraw/zinc/56/49/27/519564927.db2.gz	LNQDAXSMMQUWOW-ROUUACIJSA-N	0	1	365.430	1.273	50	5		FDBAMN
CCOC(=O)C1=C(N)Oc2n[nH]c(C)c2[C@H]1c1cc([N+](=O)[O-])ccc1O	ZINC000043204108	952002556	/nfs/dbraw/zinc/00/25/56/952002556.db2.gz	VXZXOMDZRJBUGH-GFCCVEGCSA-N	0	1	360.326	1.590	50	5		FDBAMN
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001595221	518234348	/nfs/dbraw/zinc/23/43/48/518234348.db2.gz	AGZMQTIIZFXACL-UHFFFAOYSA-N	0	1	357.369	1.043	50	5		FDBAMN
COC(=O)COc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000005065666	518329237	/nfs/dbraw/zinc/32/92/37/518329237.db2.gz	YIWGGVAAPSTPRU-UHFFFAOYSA-N	0	1	366.351	1.947	50	5		FDBAMN
CN1CCN(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)CC1	ZINC000020265950	518846727	/nfs/dbraw/zinc/84/67/27/518846727.db2.gz	SUTUUPXSXUFEQA-GXDHUFHOSA-N	0	1	362.411	1.836	50	5		FDBAMN
CC[NH+](CC)CCCN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000054173046	523586766	/nfs/dbraw/zinc/58/67/66/523586766.db2.gz	JSCMWLRJVUGITK-OAHLLOKOSA-N	0	1	366.418	1.698	50	5		FDBAMN
Cc1nn(CC(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)c1[N+](=O)[O-]	ZINC000025329258	519056112	/nfs/dbraw/zinc/05/61/12/519056112.db2.gz	PQRYQTDIFHEPDQ-ZDUSSCGKSA-N	0	1	351.432	1.889	50	5		FDBAMN
CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc([N+](=O)[O-])c1	ZINC000089490014	524507667	/nfs/dbraw/zinc/50/76/67/524507667.db2.gz	FWSXRFFIARAKJN-SNVBAGLBSA-N	0	1	364.383	1.009	50	5		FDBAMN
COc1cc(Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000009600667	207278229	/nfs/dbraw/zinc/27/82/29/207278229.db2.gz	SLGDSQYSJGJHQH-UHFFFAOYSA-N	0	1	369.315	1.298	50	5		FDBAMN
CC(=O)Nc1ccc(S(=O)(=O)NN=c2ccc([N+](=O)[O-])c[nH]2)cc1	ZINC000020031443	518843395	/nfs/dbraw/zinc/84/33/95/518843395.db2.gz	AXCBTMLSLADBNF-UHFFFAOYSA-N	0	1	351.344	1.254	50	5		FDBAMN
O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](N2CC=CC2)C1	ZINC000101277861	570818267	/nfs/dbraw/zinc/81/82/67/570818267.db2.gz	OPKZIZCMYTWEAF-MRXNPFEDSA-N	0	1	353.382	1.867	50	5		FDBAMN
O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-]	ZINC000004548517	207027018	/nfs/dbraw/zinc/02/70/18/207027018.db2.gz	PQPVCBNFKZXXQG-UHFFFAOYSA-N	0	1	362.367	1.917	50	5		FDBAMN
CONC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000010127098	518527299	/nfs/dbraw/zinc/52/72/99/518527299.db2.gz	IJROWQIFYQRZGE-UHFFFAOYSA-N	0	1	365.367	1.995	50	5		FDBAMN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)n1	ZINC000002785166	518248537	/nfs/dbraw/zinc/24/85/37/518248537.db2.gz	PAGJAWSEXSBXRY-UHFFFAOYSA-N	0	1	359.321	1.842	50	5		FDBAMN
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000032932031	209854207	/nfs/dbraw/zinc/85/42/07/209854207.db2.gz	QMGQFZUEDNFINB-KGLIPLIRSA-N	0	1	367.427	1.773	50	5		FDBAMN
CN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cn2)CC1	ZINC000012853882	518639146	/nfs/dbraw/zinc/63/91/46/518639146.db2.gz	PEDNFPAJUYIQMI-UHFFFAOYSA-N	0	1	371.397	1.759	50	5		FDBAMN
O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1	ZINC000033014982	519564225	/nfs/dbraw/zinc/56/42/25/519564225.db2.gz	LNQDAXSMMQUWOW-QZTJIDSGSA-N	0	1	365.430	1.273	50	5		FDBAMN
Nc1nc(NCCN2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-]	ZINC000170631792	525650313	/nfs/dbraw/zinc/65/03/13/525650313.db2.gz	QJPKBCIHYGAHNG-UHFFFAOYSA-N	0	1	357.418	1.197	50	5		FDBAMN
COc1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NOC3=C2[O-])cc1	ZINC000103573426	222339523	/nfs/dbraw/zinc/33/95/23/222339523.db2.gz	YMLWYIJFKFJQDM-GOEBONIOSA-N	0	1	367.317	1.896	50	5		FDBAMN
COc1ccc(N2C(=O)C3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000103573426	222339526	/nfs/dbraw/zinc/33/95/26/222339526.db2.gz	YMLWYIJFKFJQDM-GOEBONIOSA-N	0	1	367.317	1.896	50	5		FDBAMN
Cn1ncc(Cl)c1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1O	ZINC000005331178	263340419	/nfs/dbraw/zinc/34/04/19/263340419.db2.gz	YEZLCWNAWLDJBC-UHFFFAOYSA-N	0	1	355.763	1.814	50	5		FDBAMN
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000023740930	211394946	/nfs/dbraw/zinc/39/49/46/211394946.db2.gz	FOKMTJJFCXIPFS-INIZCTEOSA-N	0	1	356.382	1.850	50	5		FDBAMN
O=c1c2cc3c(ccn(-c4nnc[nH]4)c3=O)nc2ccn1Cc1ccccc1	ZINC000032074218	519478946	/nfs/dbraw/zinc/47/89/46/519478946.db2.gz	BNCOSRFWGSHEII-UHFFFAOYSA-N	0	1	370.372	1.867	50	5		FDBAMN
COCCCn1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O	ZINC000036125558	519617127	/nfs/dbraw/zinc/61/71/27/519617127.db2.gz	ZJTFVLGYJGIFCK-UHFFFAOYSA-N	0	1	366.381	1.164	50	5		FDBAMN
O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](N2CC=CC2)C1	ZINC000101277859	570818156	/nfs/dbraw/zinc/81/81/56/570818156.db2.gz	OPKZIZCMYTWEAF-INIZCTEOSA-N	0	1	353.382	1.867	50	5		FDBAMN
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000016115614	211155735	/nfs/dbraw/zinc/15/57/35/211155735.db2.gz	OCSWWMCZXCADRI-UHFFFAOYSA-N	0	1	357.369	1.043	50	5		FDBAMN
CCc1nc2n(n1)C(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)N2	ZINC000030874514	519397974	/nfs/dbraw/zinc/39/79/74/519397974.db2.gz	HVBQMYUCPFTYTD-SNVBAGLBSA-N	0	1	360.330	1.279	50	5		FDBAMN
CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1	ZINC000067694999	221273660	/nfs/dbraw/zinc/27/36/60/221273660.db2.gz	KUPNLACGMBXDLA-KGLIPLIRSA-N	0	1	365.433	1.818	50	5		FDBAMN
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1	ZINC000025044548	519033195	/nfs/dbraw/zinc/03/31/95/519033195.db2.gz	IWSSAJQYBBBPHF-LRDDRELGSA-N	0	1	365.386	1.442	50	5		FDBAMN
C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@@H+]1CCc2ccccc2C1	ZINC000025637474	519073808	/nfs/dbraw/zinc/07/38/08/519073808.db2.gz	SHFBDHRANWZNQZ-GFCCVEGCSA-N	0	1	356.382	1.872	50	5		FDBAMN
C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@H+]1CCc2ccccc2C1	ZINC000025637474	519073817	/nfs/dbraw/zinc/07/38/17/519073817.db2.gz	SHFBDHRANWZNQZ-GFCCVEGCSA-N	0	1	356.382	1.872	50	5		FDBAMN
CN1CCN(CCCN2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)CC1	ZINC000000859734	210282848	/nfs/dbraw/zinc/28/28/48/210282848.db2.gz	WEQYVLCSNSTNAK-QGZVFWFLSA-N	0	1	364.471	1.806	50	5		FDBAMN
COc1ccccc1C(=O)NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000007985669	518448288	/nfs/dbraw/zinc/44/82/88/518448288.db2.gz	KMEUHFPILQSIJK-UHFFFAOYSA-N	0	1	372.333	1.646	50	5		FDBAMN
CC(C)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N1CCN(C)CC1	ZINC000024765931	519013801	/nfs/dbraw/zinc/01/38/01/519013801.db2.gz	KLXUTAABSPZJSN-CQSZACIVSA-N	0	1	374.445	1.287	50	5		FDBAMN
CNS(=O)(=O)c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000032779325	519538931	/nfs/dbraw/zinc/53/89/31/519538931.db2.gz	SCQCDJATDPBUGQ-UHFFFAOYSA-N	0	1	368.459	1.568	50	5		FDBAMN
Cc1[nH]nc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1[N+](=O)[O-]	ZINC000078752464	523647015	/nfs/dbraw/zinc/64/70/15/523647015.db2.gz	JGCMJVHMXWSUJN-LLVKDONJSA-N	0	1	355.358	1.689	50	5		FDBAMN
O=C(NCc1ccc(-n2cccn2)nc1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000045311168	211814582	/nfs/dbraw/zinc/81/45/82/211814582.db2.gz	HUSUZVYZFAUNBC-UHFFFAOYSA-N	0	1	363.337	1.982	50	5		FDBAMN
COC(=O)c1ccccc1S(=O)(=O)NN=c1ccc([N+](=O)[O-])c[nH]1	ZINC000020031446	211265350	/nfs/dbraw/zinc/26/53/50/211265350.db2.gz	SGLIZBZZCODPIG-UHFFFAOYSA-N	0	1	352.328	1.082	50	5		FDBAMN
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1	ZINC000025044555	519033438	/nfs/dbraw/zinc/03/34/38/519033438.db2.gz	IWSSAJQYBBBPHF-BLLLJJGKSA-N	0	1	365.386	1.442	50	5		FDBAMN
O=c1c2cc3c(ccn(-c4ccccc4)c3=O)nc2ccn1-c1nnc[nH]1	ZINC000040268003	519642382	/nfs/dbraw/zinc/64/23/82/519642382.db2.gz	FKLYGVXWQJQGJE-UHFFFAOYSA-N	0	1	356.345	1.808	50	5		FDBAMN
O=C(NCc1cccnc1-n1cccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000048168516	522682736	/nfs/dbraw/zinc/68/27/36/522682736.db2.gz	SOACNBRBEMPXQK-UHFFFAOYSA-N	0	1	363.337	1.982	50	5		FDBAMN
N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F	ZINC000170684709	525677042	/nfs/dbraw/zinc/67/70/42/525677042.db2.gz	KVTAWROXUUWGFT-AWEZNQCLSA-N	0	1	357.338	1.851	50	5		FDBAMN
CCc1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1[N+](=O)[O-]	ZINC000026544247	519129890	/nfs/dbraw/zinc/12/98/90/519129890.db2.gz	RLEQYNQISOIQDQ-UHFFFAOYSA-N	0	1	352.372	1.395	50	5		FDBAMN
COC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	ZINC000043773505	521892321	/nfs/dbraw/zinc/89/23/21/521892321.db2.gz	JVBKBXDFLJSEDK-YHYXMXQVSA-N	0	1	368.323	1.518	50	5		FDBAMN
O=c1c2cc3c(ccn(-c4nnc[nH]4)c3=O)nc2ccn1Cc1ccco1	ZINC000032104061	220657292	/nfs/dbraw/zinc/65/72/92/220657292.db2.gz	SNTFJUAJCAUZDB-UHFFFAOYSA-N	0	1	360.333	1.460	50	5		FDBAMN
CCN1CCN(c2cc(NCCCO)c([N+](=O)[O-])c3nonc32)CC1	ZINC000004716636	518309371	/nfs/dbraw/zinc/30/93/71/518309371.db2.gz	UQNTVUXFJPWRSQ-UHFFFAOYSA-N	0	1	350.379	1.067	50	5		FDBAMN
CC(=O)C(C(C)=O)[C@@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000100702866	222250512	/nfs/dbraw/zinc/25/05/12/222250512.db2.gz	PHJVQJFVPDXAEK-HOCLYGCPSA-N	0	1	365.407	1.912	50	5		FDBAMN
COc1ccccc1N1C(=O)C2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000103975778	222346492	/nfs/dbraw/zinc/34/64/92/222346492.db2.gz	CLNZFHSJWMAOSN-GOEBONIOSA-N	0	1	367.317	1.896	50	5		FDBAMN
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000036144754	519617076	/nfs/dbraw/zinc/61/70/76/519617076.db2.gz	HNDVCKWGZHHLID-LBPRGKRZSA-N	0	1	351.315	1.500	50	5		FDBAMN
CCCCOC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1	ZINC000059381687	136132076	/nfs/dbraw/zinc/13/20/76/136132076.db2.gz	MIZLTCCSCSRYBN-HNNXBMFYSA-N	0	1	352.435	1.477	50	5		FDBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	ZINC000009962170	518521394	/nfs/dbraw/zinc/52/13/94/518521394.db2.gz	YJVIKEJVPVWPHE-UHFFFAOYSA-N	0	1	371.396	1.351	50	5		FDBAMN
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000032768960	519536971	/nfs/dbraw/zinc/53/69/71/519536971.db2.gz	GONKIXHPDHUKIM-UHFFFAOYSA-N	0	1	356.382	1.809	50	5		FDBAMN
O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccc(O)cc1[N+](=O)[O-]	ZINC000170595812	525637265	/nfs/dbraw/zinc/63/72/65/525637265.db2.gz	NJVGEPZANVCTLZ-LBPRGKRZSA-N	0	1	350.302	1.609	50	5		FDBAMN
O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000240333663	527121379	/nfs/dbraw/zinc/12/13/79/527121379.db2.gz	FEQVHZPSRJOHJH-MELADBBJSA-N	0	1	353.325	1.950	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3ccco3)[C@H]2C1	ZINC000248082879	537165872	/nfs/dbraw/zinc/16/58/72/537165872.db2.gz	ATMCHCSYOBPFDH-FUHWJXTLSA-N	0	1	370.409	1.797	50	5		FDBAMN
COc1ccc(OCC(=O)NC(=O)c2ccccc2OC)c([N+](=O)[O-])c1	ZINC000007441777	219804601	/nfs/dbraw/zinc/80/46/01/219804601.db2.gz	AJXPTTQYIHJZIB-UHFFFAOYSA-N	0	1	360.322	1.947	50	5		FDBAMN
CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000014225025	220117544	/nfs/dbraw/zinc/11/75/44/220117544.db2.gz	XFIGTAJIECANGN-UHFFFAOYSA-N	0	1	371.396	1.304	50	5		FDBAMN
COCCN1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000058172641	221102837	/nfs/dbraw/zinc/10/28/37/221102837.db2.gz	VSGGNCXHBVRAMS-GFCCVEGCSA-N	0	1	357.432	1.379	50	5		FDBAMN
Cc1n[nH]c(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n1	ZINC000036125576	519616516	/nfs/dbraw/zinc/61/65/16/519616516.db2.gz	YKXIFDSMVJQJML-UHFFFAOYSA-N	0	1	374.360	1.768	50	5		FDBAMN
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1[N+](=O)[O-]	ZINC000005047503	518327541	/nfs/dbraw/zinc/32/75/41/518327541.db2.gz	BPKDHQGVUYFRSZ-UHFFFAOYSA-N	0	1	361.335	1.588	50	5		FDBAMN
O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1	ZINC000033014978	519563853	/nfs/dbraw/zinc/56/38/53/519563853.db2.gz	LNQDAXSMMQUWOW-MSOLQXFVSA-N	0	1	365.430	1.273	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NC[C@@H]3CCCO3)[C@@H]2C1	ZINC000035894570	519613894	/nfs/dbraw/zinc/61/38/94/519613894.db2.gz	FRJORIPIMKZPGU-BQFCYCMXSA-N	0	1	374.441	1.183	50	5		FDBAMN
Cn1c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2n(C)c1=O	ZINC000001058965	219360441	/nfs/dbraw/zinc/36/04/41/219360441.db2.gz	DXTZZLUJYBIQAD-UHFFFAOYSA-N	0	1	362.367	1.586	50	5		FDBAMN
Cc1nn(CC(=O)NCCN2CCc3ccccc3C2)c(C)c1[N+](=O)[O-]	ZINC000030319865	263390973	/nfs/dbraw/zinc/39/09/73/263390973.db2.gz	DCUQBJGOLYQBGN-UHFFFAOYSA-N	0	1	357.414	1.583	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3ccco3)[C@@H]2C1	ZINC000035870231	519611777	/nfs/dbraw/zinc/61/17/77/519611777.db2.gz	ATMCHCSYOBPFDH-WMZOPIPTSA-N	0	1	370.409	1.797	50	5		FDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NC[C@@H]3CCCO3)[C@H]2C1	ZINC000245326524	571097450	/nfs/dbraw/zinc/09/74/50/571097450.db2.gz	FRJORIPIMKZPGU-XYJFISCASA-N	0	1	374.441	1.183	50	5		FDBAMN
COCCN1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000058172642	221102336	/nfs/dbraw/zinc/10/23/36/221102336.db2.gz	VSGGNCXHBVRAMS-LBPRGKRZSA-N	0	1	357.432	1.379	50	5		FDBAMN
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1	ZINC000225736302	537558294	/nfs/dbraw/zinc/55/82/94/537558294.db2.gz	MJLKMHXGHOBVRW-CRAIPNDOSA-N	0	1	359.382	1.883	50	5		FDBAMN
COc1cc([C@@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc([N+](=O)[O-])c1O	ZINC000020086524	220313204	/nfs/dbraw/zinc/31/32/04/220313204.db2.gz	KMIXOKHADKEWIE-GFCCVEGCSA-N	0	1	358.310	1.709	50	5		FDBAMN
CN1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cn2)CC1	ZINC000012766451	518634128	/nfs/dbraw/zinc/63/41/28/518634128.db2.gz	FWEKXVNWIRHYHY-UHFFFAOYSA-N	0	1	371.397	1.759	50	5		FDBAMN
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O	ZINC000034805674	519597252	/nfs/dbraw/zinc/59/72/52/519597252.db2.gz	HMUVNDUXYVHYPO-CYBMUJFWSA-N	0	1	365.342	1.889	50	5		FDBAMN