smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(O)(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1	ZINC000444987614	530050720	/nfs/dbraw/zinc/05/07/20/530050720.db2.gz	DGQIDSJJLSMXSH-UHFFFAOYSA-N	1	0	310.310	-0.118	20	5		DBBDRO
Nc1nccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000599940150	412520398	/nfs/dbraw/zinc/52/03/98/412520398.db2.gz	LTRCFIVSLFFYBL-NXEZZACHSA-N	1	0	321.337	-0.147	20	5		DBBDRO
Nc1nccc(C(=O)NCCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000548712617	412520800	/nfs/dbraw/zinc/52/08/00/412520800.db2.gz	YDGCUJANJDKOGB-UHFFFAOYSA-N	1	0	309.326	0.024	20	5		DBBDRO
Nc1nccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-]	ZINC000597627361	412520954	/nfs/dbraw/zinc/52/09/54/412520954.db2.gz	YWAOZBNIKJQKDD-SNVBAGLBSA-N	1	0	320.353	-0.308	20	5		DBBDRO
Nc1nccc(C(=O)NCCN2CCCOCC2)c1[N+](=O)[O-]	ZINC000581438363	412522166	/nfs/dbraw/zinc/52/21/66/412522166.db2.gz	MVOHTYLVIPONGC-UHFFFAOYSA-N	1	0	309.326	0.024	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000340961392	138103095	/nfs/dbraw/zinc/10/30/95/138103095.db2.gz	SUZSHHCSQLFXFK-LLVKDONJSA-N	1	0	309.326	-0.008	20	5		DBBDRO
O=C1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C2CC2)N1	ZINC000342027670	138118321	/nfs/dbraw/zinc/11/83/21/138118321.db2.gz	XFYRSLXBCJANNK-MBNYWOFBSA-N	1	0	323.353	-0.201	20	5		DBBDRO
[NH3+][C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000428370967	236927513	/nfs/dbraw/zinc/92/75/13/236927513.db2.gz	SYPMIIMJFOKUEK-LLVKDONJSA-N	1	0	321.337	-0.046	20	5		DBBDRO
COC[C@@](C)(CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000132556081	283573287	/nfs/dbraw/zinc/57/32/87/283573287.db2.gz	IOUKHTYLLLRPDW-NWDGAFQWSA-N	1	0	302.331	-0.471	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)c1	ZINC000447922563	238344349	/nfs/dbraw/zinc/34/43/49/238344349.db2.gz	PNRHYPKJYJCTCL-WOPDTQHZSA-N	1	0	300.315	-0.718	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])n1	ZINC000447253979	238326239	/nfs/dbraw/zinc/32/62/39/238326239.db2.gz	DLGGCXNTURJIFD-HTQZYQBOSA-N	1	0	303.344	-0.221	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOCCO)cc1	ZINC000563564315	284043291	/nfs/dbraw/zinc/04/32/91/284043291.db2.gz	JYDQUESIXCWXDR-UHFFFAOYSA-N	1	0	318.351	-0.033	20	5		DBBDRO
CC(C)N1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000564565725	284062179	/nfs/dbraw/zinc/06/21/79/284062179.db2.gz	WNJGLWRHUQOOKM-RYUDHWBXSA-N	1	0	311.342	-0.249	20	5		DBBDRO
CC(CO)(CO)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000564799258	284067311	/nfs/dbraw/zinc/06/73/11/284067311.db2.gz	QMYJJZFMKJEKAA-NSHDSACASA-N	1	0	314.338	-0.085	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2CCCOCC2)c1	ZINC000564873704	284070031	/nfs/dbraw/zinc/07/00/31/284070031.db2.gz	RQZZFHIQYOSWGR-CYBMUJFWSA-N	1	0	313.358	-0.536	20	5		DBBDRO
COCC[NH2+]CCNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000565950307	284107944	/nfs/dbraw/zinc/10/79/44/284107944.db2.gz	BNHBOBGCICSQML-UHFFFAOYSA-N	1	0	304.328	-0.496	20	5		DBBDRO
C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1CCO	ZINC000187270832	374294633	/nfs/dbraw/zinc/29/46/33/374294633.db2.gz	DLFBTQXKJNFVIJ-LLVKDONJSA-N	1	0	311.342	-0.294	20	5		DBBDRO
CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579474580	374558662	/nfs/dbraw/zinc/55/86/62/374558662.db2.gz	FCQFSHBTEIGEKE-UTUOFQBUSA-N	1	0	302.331	-0.736	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000584183663	374644555	/nfs/dbraw/zinc/64/45/55/374644555.db2.gz	QMIBIWUAMURSFG-WPRPVWTQSA-N	1	0	307.310	-0.683	20	5		DBBDRO
[NH3+]C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000165642939	374683021	/nfs/dbraw/zinc/68/30/21/374683021.db2.gz	YUNILATVWBMRTB-JTQLQIEISA-N	1	0	301.324	-0.057	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@](C)(O)C[NH+](C)C	ZINC000337470283	374730977	/nfs/dbraw/zinc/73/09/77/374730977.db2.gz	UZOFIIYEMIIPAO-ZDUSSCGKSA-N	1	0	313.358	-0.081	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588860034	374769395	/nfs/dbraw/zinc/76/93/95/374769395.db2.gz	BLPLCGGXTKQLJW-DGCLKSJQSA-N	1	0	323.353	-0.151	20	5		DBBDRO
C[C@@H](C[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O	ZINC000262446453	374885668	/nfs/dbraw/zinc/88/56/68/374885668.db2.gz	CRDBOTDCPAIIKH-QMMMGPOBSA-N	1	0	308.294	-0.216	20	5		DBBDRO
CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000362009247	374917620	/nfs/dbraw/zinc/91/76/20/374917620.db2.gz	ANUDJLLBWJKJEI-YNEHKIRRSA-N	1	0	314.342	-0.064	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000076269920	375008062	/nfs/dbraw/zinc/00/80/62/375008062.db2.gz	TYOMAAUCDJPOPU-SECBINFHSA-N	1	0	323.357	-0.034	20	5		DBBDRO
[NH3+]CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)F	ZINC000570801802	375389743	/nfs/dbraw/zinc/38/97/43/375389743.db2.gz	BNDNWWCJBHQQEY-QMMMGPOBSA-N	1	0	304.253	-0.145	20	5		DBBDRO
CCCc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-]	ZINC000570800567	375389755	/nfs/dbraw/zinc/38/97/55/375389755.db2.gz	TZLDAJGNUWIZDO-VIFPVBQESA-N	1	0	310.358	-0.096	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000290184064	375398404	/nfs/dbraw/zinc/39/84/04/375398404.db2.gz	PVSGAJCSXFOUDT-GHMZBOCLSA-N	1	0	306.322	-0.176	20	5		DBBDRO
O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc([N+](=O)[O-])n[nH]1	ZINC000570449176	375362517	/nfs/dbraw/zinc/36/25/17/375362517.db2.gz	NMNMSGZJECIQPS-UHFFFAOYSA-N	1	0	307.274	-0.902	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C(N)=O)CCCC1	ZINC000120168481	375465027	/nfs/dbraw/zinc/46/50/27/375465027.db2.gz	SFGCRJPNMFHJQH-NSHDSACASA-N	1	0	311.342	-0.118	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000264438356	375531300	/nfs/dbraw/zinc/53/13/00/375531300.db2.gz	BLCOEDFJMKAAEP-NSHDSACASA-N	1	0	324.341	-0.753	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000178115704	375508146	/nfs/dbraw/zinc/50/81/46/375508146.db2.gz	ZDEPMOBNSNOZQK-GFCCVEGCSA-N	1	0	323.353	-0.028	20	5		DBBDRO
CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000300703558	375627103	/nfs/dbraw/zinc/62/71/03/375627103.db2.gz	MBTCICZORGNDCG-DVVUODLYSA-N	1	0	304.372	-0.146	20	5		DBBDRO
C[NH2+]CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000591418632	375713785	/nfs/dbraw/zinc/71/37/85/375713785.db2.gz	ILRAYTWQPJLJSD-UHFFFAOYSA-N	1	0	306.322	-0.185	20	5		DBBDRO
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCO1	ZINC000591756625	375744340	/nfs/dbraw/zinc/74/43/40/375744340.db2.gz	KOMDKGMCFILFFS-DRZSPHRISA-N	1	0	313.358	-0.539	20	5		DBBDRO
C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CN(C)CCO1	ZINC000591756627	375744640	/nfs/dbraw/zinc/74/46/40/375744640.db2.gz	KOMDKGMCFILFFS-WCFLWFBJSA-N	1	0	313.358	-0.539	20	5		DBBDRO
[NH3+]CCOCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000592144898	375780951	/nfs/dbraw/zinc/78/09/51/375780951.db2.gz	KHGUQLUTBGHIKG-SNVBAGLBSA-N	1	0	309.326	-0.022	20	5		DBBDRO
C[C@@H]([NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O	ZINC000592332936	375795273	/nfs/dbraw/zinc/79/52/73/375795273.db2.gz	AIEULXOSLUISPX-MRVPVSSYSA-N	1	0	308.294	-0.216	20	5		DBBDRO
C[NH2+]C[C@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000592430748	375805429	/nfs/dbraw/zinc/80/54/29/375805429.db2.gz	IGYIPLMOXCKHEV-NSHDSACASA-N	1	0	317.367	-0.462	20	5		DBBDRO
CN(CCN1CC[NH2+]CC1)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000592468525	375806642	/nfs/dbraw/zinc/80/66/42/375806642.db2.gz	BDMYVPNOPANSSD-UHFFFAOYSA-N	1	0	310.358	-0.455	20	5		DBBDRO
C[C@H]([NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000592546868	375811132	/nfs/dbraw/zinc/81/11/32/375811132.db2.gz	GGTAALSCAWFSMF-VIFPVBQESA-N	1	0	309.326	-0.143	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000592869969	375828147	/nfs/dbraw/zinc/82/81/47/375828147.db2.gz	APQXPFICBBKKPV-MRVPVSSYSA-N	1	0	310.314	-0.490	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1=O	ZINC000593250784	375852410	/nfs/dbraw/zinc/85/24/10/375852410.db2.gz	IZKFUMHRFAPJLM-UHFFFAOYSA-N	1	0	309.326	-0.231	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000594874243	375968482	/nfs/dbraw/zinc/96/84/82/375968482.db2.gz	QEQZEGRGRDFETB-CHWSQXEVSA-N	1	0	318.333	-0.092	20	5		DBBDRO
COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000595107963	375973415	/nfs/dbraw/zinc/97/34/15/375973415.db2.gz	NAGYMMQWCGBKAK-UHFFFAOYSA-N	1	0	304.328	-0.496	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594766369	375946517	/nfs/dbraw/zinc/94/65/17/375946517.db2.gz	VCTOSIVOSQOCHA-NSHDSACASA-N	1	0	318.355	-0.419	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COCCO1	ZINC000595738484	376029455	/nfs/dbraw/zinc/02/94/55/376029455.db2.gz	JDILLBIXDWNDDG-RYUDHWBXSA-N	1	0	300.315	-0.501	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000597624806	376160361	/nfs/dbraw/zinc/16/03/61/376160361.db2.gz	LNIKDSFTBDYGAG-SNVBAGLBSA-N	1	0	308.342	-0.552	20	5		DBBDRO
O=[N+]([O-])c1c(N2C[C@H]3C[NH2+]C[C@H]3C2)ncnc1N1CCOCC1	ZINC000598589877	376213526	/nfs/dbraw/zinc/21/35/26/376213526.db2.gz	MPSYUXLXSAXGLE-PHIMTYICSA-N	1	0	320.353	-0.123	20	5		DBBDRO
CCNC(=O)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000567688318	376227350	/nfs/dbraw/zinc/22/73/50/376227350.db2.gz	NNZXTMYODYYTOU-LLVKDONJSA-N	1	0	313.358	-0.096	20	5		DBBDRO
C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599099829	376242393	/nfs/dbraw/zinc/24/23/93/376242393.db2.gz	DJJCJIDITLSYKT-JGVFFNPUSA-N	1	0	303.344	-0.301	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)n1	ZINC000599100287	376242574	/nfs/dbraw/zinc/24/25/74/376242574.db2.gz	LVMKGSJFZRNXPU-RNFRBKRXSA-N	1	0	307.307	-0.612	20	5		DBBDRO
CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599100897	376243119	/nfs/dbraw/zinc/24/31/19/376243119.db2.gz	JJEYSZDWRANQPZ-SECBINFHSA-N	1	0	317.371	-0.053	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)n1	ZINC000599099284	376243253	/nfs/dbraw/zinc/24/32/53/376243253.db2.gz	CMOOKXKNRAAHMZ-RKDXNWHRSA-N	1	0	315.355	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)n1	ZINC000599099160	376243347	/nfs/dbraw/zinc/24/33/47/376243347.db2.gz	BDPNMULNMKMSDU-LLVKDONJSA-N	1	0	315.355	-0.298	20	5		DBBDRO
C[NH2+]CCOCCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000599107940	376246591	/nfs/dbraw/zinc/24/65/91/376246591.db2.gz	PNEQDLCAUDUNTF-UHFFFAOYSA-N	1	0	318.355	-0.154	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1	ZINC000599108607	376246921	/nfs/dbraw/zinc/24/69/21/376246921.db2.gz	OREZKVWXWABPDI-RKDXNWHRSA-N	1	0	315.355	-0.299	20	5		DBBDRO
CC(C)[N@H+](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599288886	376275932	/nfs/dbraw/zinc/27/59/32/376275932.db2.gz	XZMUZBPFSHPQAY-UHFFFAOYSA-N	1	0	305.360	-0.053	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[NH2+]CCC1(F)F	ZINC000567900022	376334884	/nfs/dbraw/zinc/33/48/84/376334884.db2.gz	HMLPKKDTBBGYHD-SECBINFHSA-N	1	0	316.264	-0.130	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000342841636	377079198	/nfs/dbraw/zinc/07/91/98/377079198.db2.gz	QQWYUOCAMBRHAB-UHFFFAOYSA-N	1	0	324.341	-0.976	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000574054645	377262264	/nfs/dbraw/zinc/26/22/64/377262264.db2.gz	MOSDGPXAJDEEJM-GXSJLCMTSA-N	1	0	304.306	-0.021	20	5		DBBDRO
NC(=O)[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000367004006	377444278	/nfs/dbraw/zinc/44/42/78/377444278.db2.gz	QKYIVMFISGEFLC-CQSZACIVSA-N	1	0	322.321	-0.155	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@H](C)C[NH2+]C)c([N+](=O)[O-])n1	ZINC000353217972	378065847	/nfs/dbraw/zinc/06/58/47/378065847.db2.gz	NCSZUVYJWILUJZ-MRVPVSSYSA-N	1	0	305.360	-0.055	20	5		DBBDRO
C[C@H](CC[NH3+])NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000574623765	378189173	/nfs/dbraw/zinc/18/91/73/378189173.db2.gz	VLWZLNTVEQECOZ-SNVBAGLBSA-N	1	0	324.337	-0.057	20	5		DBBDRO
CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000228373935	379864834	/nfs/dbraw/zinc/86/48/34/379864834.db2.gz	MBTCICZORGNDCG-JMJZKYOTSA-N	1	0	304.372	-0.146	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000619254202	379814925	/nfs/dbraw/zinc/81/49/25/379814925.db2.gz	IUEUBHLFEWIARE-ZDUSSCGKSA-N	1	0	311.342	-0.294	20	5		DBBDRO
CCN(CC)C(=O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075586511	380143348	/nfs/dbraw/zinc/14/33/48/380143348.db2.gz	MHFOBZHRJNAGLH-LBPRGKRZSA-N	1	0	313.358	-0.048	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000576957948	380520526	/nfs/dbraw/zinc/52/05/26/380520526.db2.gz	XUADBUKFEJFKGS-JQWIXIFHSA-N	1	0	319.321	-0.318	20	5		DBBDRO
O=C(NCCCN1CCNC(=O)C1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000271072827	381020116	/nfs/dbraw/zinc/02/01/16/381020116.db2.gz	YRHKVBQSWRLWOM-UHFFFAOYSA-N	1	0	323.309	-0.753	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1	ZINC000029824626	382233777	/nfs/dbraw/zinc/23/37/77/382233777.db2.gz	PSAGDYRTBDZYNL-UHFFFAOYSA-N	1	0	310.358	-0.071	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+](CCO)CCO)c1	ZINC000298669225	382358150	/nfs/dbraw/zinc/35/81/50/382358150.db2.gz	IUIYMVYJGIOYKA-GFCCVEGCSA-N	1	0	300.311	-0.379	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1	ZINC000369340002	382523881	/nfs/dbraw/zinc/52/38/81/382523881.db2.gz	RTZJBZZWSAZWJB-ZYHUDNBSSA-N	1	0	306.322	-0.033	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000619874036	382526484	/nfs/dbraw/zinc/52/64/84/382526484.db2.gz	WWWBEMZZXZJOTJ-NSHDSACASA-N	1	0	308.342	-0.703	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000420460068	382508410	/nfs/dbraw/zinc/50/84/10/382508410.db2.gz	RRNHBZHHAXHINH-QMMMGPOBSA-N	1	0	320.396	-0.162	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1	ZINC000068467580	382556989	/nfs/dbraw/zinc/55/69/89/382556989.db2.gz	MLZXPBBAEZQMAX-UHFFFAOYSA-N	1	0	324.385	-0.147	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000277697248	382590580	/nfs/dbraw/zinc/59/05/80/382590580.db2.gz	KLSPVRGQUUBCPX-SNVBAGLBSA-N	1	0	309.326	-0.329	20	5		DBBDRO
C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C)CC1	ZINC000330766056	382596564	/nfs/dbraw/zinc/59/65/64/382596564.db2.gz	KMYSCFUWNCQSKT-LLVKDONJSA-N	1	0	310.358	-0.457	20	5		DBBDRO
Cn1cc(CN2CCC[C@H](N3CCNCC3=O)C2)c([N+](=O)[O-])n1	ZINC000603427705	382640330	/nfs/dbraw/zinc/64/03/30/382640330.db2.gz	DKOQUHVPQNNWLI-LBPRGKRZSA-N	1	0	322.369	-0.276	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1	ZINC000353882282	382641990	/nfs/dbraw/zinc/64/19/90/382641990.db2.gz	QVYQRGNYFNORSH-UHFFFAOYSA-N	1	0	310.358	-0.006	20	5		DBBDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1	ZINC000355328201	382643248	/nfs/dbraw/zinc/64/32/48/382643248.db2.gz	DOKONHJBJGBLCF-WDEREUQCSA-N	1	0	324.341	-0.492	20	5		DBBDRO
CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1	ZINC000355328190	382643259	/nfs/dbraw/zinc/64/32/59/382643259.db2.gz	DOKONHJBJGBLCF-GHMZBOCLSA-N	1	0	324.341	-0.492	20	5		DBBDRO
CC(C)(O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000171654088	382659168	/nfs/dbraw/zinc/65/91/68/382659168.db2.gz	ABVUFSKASYFJBE-UHFFFAOYSA-N	1	0	311.342	-0.294	20	5		DBBDRO
O=C(CN1CC[NH2+]CC1)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000602451742	382638875	/nfs/dbraw/zinc/63/88/75/382638875.db2.gz	GRNBVLVRZMWEBD-UHFFFAOYSA-N	1	0	308.338	-0.005	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000357261931	220704788	/nfs/dbraw/zinc/70/47/88/220704788.db2.gz	UYIQSARWKHAHHV-GFCCVEGCSA-N	1	0	322.369	-0.394	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1	ZINC000348767302	391998321	/nfs/dbraw/zinc/99/83/21/391998321.db2.gz	VZXHTUVSLYNUGQ-CHWSQXEVSA-N	1	0	311.342	-0.831	20	5		DBBDRO
C[NH+](C)CCOCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000349720263	392139025	/nfs/dbraw/zinc/13/90/25/392139025.db2.gz	DJTGECYZRINGMM-UHFFFAOYSA-N	1	0	312.326	-0.549	20	5		DBBDRO
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000428998137	392148233	/nfs/dbraw/zinc/14/82/33/392148233.db2.gz	UJZOFUMBHFHEQR-JTQLQIEISA-N	1	0	324.341	-0.895	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1	ZINC000352831419	392159101	/nfs/dbraw/zinc/15/91/01/392159101.db2.gz	HCAORGCKSMWCLT-UHFFFAOYSA-N	1	0	308.342	-0.451	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](CO)C[NH+]1CCCCC1	ZINC000288443336	131325878	/nfs/dbraw/zinc/32/58/78/131325878.db2.gz	IRNIWJWYBJPQKR-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1	ZINC000262012420	392434359	/nfs/dbraw/zinc/43/43/59/392434359.db2.gz	WMBMFTSNLRZUTI-SECBINFHSA-N	1	0	309.326	-0.150	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000368370868	393496892	/nfs/dbraw/zinc/49/68/92/393496892.db2.gz	RUCMETXKUWYFSY-PWSUYJOCSA-N	1	0	306.322	-0.033	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000368370869	393496910	/nfs/dbraw/zinc/49/69/10/393496910.db2.gz	RUCMETXKUWYFSY-ZYHUDNBSSA-N	1	0	306.322	-0.033	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]CC1	ZINC000170319470	393728920	/nfs/dbraw/zinc/72/89/20/393728920.db2.gz	HQZBJNCTGDNJFW-UHFFFAOYSA-N	1	0	308.294	-0.026	20	5		DBBDRO
CN(CC[NH3+])C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000423312980	265894355	/nfs/dbraw/zinc/89/43/55/265894355.db2.gz	VXHFWYIQVCWQTP-UHFFFAOYSA-N	1	0	306.322	-0.103	20	5		DBBDRO
CN(CC[NH3+])C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O	ZINC000424003389	265920629	/nfs/dbraw/zinc/92/06/29/265920629.db2.gz	KMXPZOQQYZDJPU-UHFFFAOYSA-N	1	0	308.294	-0.263	20	5		DBBDRO
CC(C)OC[C@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000433166072	266038257	/nfs/dbraw/zinc/03/82/57/266038257.db2.gz	WTILRDGPJUWSJJ-QWHCGFSZSA-N	1	0	316.358	-0.130	20	5		DBBDRO
CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000440652908	266105287	/nfs/dbraw/zinc/10/52/87/266105287.db2.gz	YWKISWSGUSEBRD-JTQLQIEISA-N	1	0	314.346	-0.341	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000440858644	266108370	/nfs/dbraw/zinc/10/83/70/266108370.db2.gz	LMRQKSLUAOOCOH-QMMMGPOBSA-N	1	0	303.344	-0.301	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000517197313	266292050	/nfs/dbraw/zinc/29/20/50/266292050.db2.gz	GITWDUTUDMOFNV-CYBMUJFWSA-N	1	0	309.326	-0.636	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])n1	ZINC000353213071	276714894	/nfs/dbraw/zinc/71/48/94/276714894.db2.gz	BQIFUIQNFBPPSU-MRVPVSSYSA-N	1	0	303.344	-0.159	20	5		DBBDRO
C[C@@H](C[NH3+])NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000347694929	278248733	/nfs/dbraw/zinc/24/87/33/278248733.db2.gz	UXOGJMQSIUSJIP-VIFPVBQESA-N	1	0	309.326	-0.143	20	5		DBBDRO
CCn1nc(C)c([N+](=O)[O-])c1N(C)CC(=O)N1CC[NH2+]CC1	ZINC000262305689	281667855	/nfs/dbraw/zinc/66/78/55/281667855.db2.gz	PCXKSGSVNDIKPQ-UHFFFAOYSA-N	1	0	310.358	-0.012	20	5		DBBDRO
CSCC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000573966864	332299957	/nfs/dbraw/zinc/29/99/57/332299957.db2.gz	OANRTCRBYZXFFA-GXSJLCMTSA-N	1	0	304.372	-0.144	20	5		DBBDRO
C[C@H](C[NH3+])CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000583554692	335721063	/nfs/dbraw/zinc/72/10/63/335721063.db2.gz	HRWYOGJIQMPWKN-SNVBAGLBSA-N	1	0	324.337	-0.199	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000389961886	336929484	/nfs/dbraw/zinc/92/94/84/336929484.db2.gz	CRJDGEZBANLSLG-JTQLQIEISA-N	1	0	323.353	-0.140	20	5		DBBDRO
[NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000582665559	337118137	/nfs/dbraw/zinc/11/81/37/337118137.db2.gz	LCUMUBZINHFOIH-SECBINFHSA-N	1	0	324.341	-0.222	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000584540700	337359732	/nfs/dbraw/zinc/35/97/32/337359732.db2.gz	INZQTKXURNKBLI-NEPJUHHUSA-N	1	0	318.333	-0.092	20	5		DBBDRO
CC(CO)(CO)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000574400266	341757467	/nfs/dbraw/zinc/75/74/67/341757467.db2.gz	OLMVLCONRRZUPZ-GFCCVEGCSA-N	1	0	314.338	-0.085	20	5		DBBDRO
C[C@@H](CC[NH3+])NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000574623764	341763996	/nfs/dbraw/zinc/76/39/96/341763996.db2.gz	VLWZLNTVEQECOZ-JTQLQIEISA-N	1	0	324.337	-0.057	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000265232008	521762042	/nfs/dbraw/zinc/76/20/42/521762042.db2.gz	HPDFBEZURJWEOT-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000264717062	523887669	/nfs/dbraw/zinc/88/76/69/523887669.db2.gz	CISJBDVGIVUFOV-JTQLQIEISA-N	1	0	309.326	-0.329	20	5		DBBDRO
C[C@H](C[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O	ZINC000347638667	524309581	/nfs/dbraw/zinc/30/95/81/524309581.db2.gz	CRDBOTDCPAIIKH-MRVPVSSYSA-N	1	0	308.294	-0.216	20	5		DBBDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000347198806	524553867	/nfs/dbraw/zinc/55/38/67/524553867.db2.gz	MWUJMVYFFTVSIE-SNVBAGLBSA-N	1	0	311.342	-0.143	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-]	ZINC000343650900	525465853	/nfs/dbraw/zinc/46/58/53/525465853.db2.gz	YDMXLFSGEMXLCO-SNVBAGLBSA-N	1	0	308.342	-0.254	20	5		DBBDRO
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000346672402	526987261	/nfs/dbraw/zinc/98/72/61/526987261.db2.gz	UJNCPWVNVWBKFE-SYEHKZFSSA-N	1	0	323.353	-0.262	20	5		DBBDRO
O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000331457975	527076095	/nfs/dbraw/zinc/07/60/95/527076095.db2.gz	FJKALWZPYKHKNU-IJLUTSLNSA-N	1	0	309.326	-0.637	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)n1	ZINC000332012865	527327816	/nfs/dbraw/zinc/32/78/16/527327816.db2.gz	RCCFPADMKAKNSQ-GXSJLCMTSA-N	1	0	309.326	-0.127	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000266273870	527378014	/nfs/dbraw/zinc/37/80/14/527378014.db2.gz	YHUODZSFMBOTTN-GFCCVEGCSA-N	1	0	323.353	-0.028	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000345554893	527557975	/nfs/dbraw/zinc/55/79/75/527557975.db2.gz	BUVJXIHQJZHIFU-MNOVXSKESA-N	1	0	309.326	-0.127	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000347464847	527576255	/nfs/dbraw/zinc/57/62/55/527576255.db2.gz	OYVHRFBWSRFUHX-JTQLQIEISA-N	1	0	311.342	-0.095	20	5		DBBDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1	ZINC000285680801	536479938	/nfs/dbraw/zinc/47/99/38/536479938.db2.gz	HRSHYZJHJYFHDN-WDEREUQCSA-N	1	0	309.326	-0.277	20	5		DBBDRO
COc1nccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001022063690	664204722	/nfs/dbraw/zinc/20/47/22/664204722.db2.gz	HGEMQYKHAXFHDE-WRWGMCAJSA-N	1	0	321.337	-0.113	20	5		DBBDRO
C[NH+]1CCC(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000991441630	674797638	/nfs/dbraw/zinc/79/76/38/674797638.db2.gz	PFOXTOKDZJENFS-CHWSQXEVSA-N	1	0	324.381	-0.290	20	5		DBBDRO
Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000983652423	671226980	/nfs/dbraw/zinc/22/69/80/671226980.db2.gz	CJSMVMZOTMUSLL-CNVPUSNMSA-N	1	0	308.342	-0.535	20	5		DBBDRO
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C	ZINC000896570608	671413821	/nfs/dbraw/zinc/41/38/21/671413821.db2.gz	CXRVRGZYXQOQIM-CMPLNLGQSA-N	1	0	310.358	-0.458	20	5		DBBDRO
CN(Cc1nncn1C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985430968	671479162	/nfs/dbraw/zinc/47/91/62/671479162.db2.gz	KKYLETSFLXMWBH-VXGBXAGGSA-N	1	0	322.369	-0.097	20	5		DBBDRO
Cc1nc(C)n(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001031662056	677494630	/nfs/dbraw/zinc/49/46/30/677494630.db2.gz	SCBXBUCRUWZJNV-CHWSQXEVSA-N	1	0	322.369	-0.392	20	5		DBBDRO
C[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000994916746	677586118	/nfs/dbraw/zinc/58/61/18/677586118.db2.gz	VDDMHYVLVHWTCS-VXGBXAGGSA-N	1	0	310.354	-0.680	20	5		DBBDRO
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C12CC[NH+](CC1)C2	ZINC000996470569	678252600	/nfs/dbraw/zinc/25/26/00/678252600.db2.gz	USLLGHOJPHZTCF-GHMZBOCLSA-N	1	0	308.338	-0.926	20	5		DBBDRO
O=C(CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1	ZINC001000675145	678865794	/nfs/dbraw/zinc/86/57/94/678865794.db2.gz	RRNDMCYSWQEBFY-CHWSQXEVSA-N	1	0	322.365	-0.322	20	5		DBBDRO
O=C(C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1	ZINC001001398501	678928573	/nfs/dbraw/zinc/92/85/73/678928573.db2.gz	FWUPUFJXAVKRMX-CHWSQXEVSA-N	1	0	324.381	-0.242	20	5		DBBDRO
CCC[N@H+](C)CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297201384	805687222	/nfs/dbraw/zinc/68/72/22/805687222.db2.gz	SIIHIWONFBLIHI-VXGBXAGGSA-N	1	0	312.370	-0.432	20	5		DBBDRO
NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC001308110225	805933440	/nfs/dbraw/zinc/93/34/40/805933440.db2.gz	FWTGNFFUSOIQSV-JKOKRWQUSA-N	1	0	323.353	-0.260	20	5		DBBDRO
CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCNC1=O	ZINC001317480747	806162231	/nfs/dbraw/zinc/16/22/31/806162231.db2.gz	XDODQIQJXLDCQT-GHMZBOCLSA-N	1	0	313.358	-0.885	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn(C)nn1	ZINC001317582213	806193805	/nfs/dbraw/zinc/19/38/05/806193805.db2.gz	GIGMYGJGDVXFQY-UHFFFAOYSA-N	1	0	322.329	-0.681	20	5		DBBDRO
COCC[N@@H+]1CCC[C@H]1COC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000861034080	806256261	/nfs/dbraw/zinc/25/62/61/806256261.db2.gz	GLSJOGKXCFSPLJ-JTQLQIEISA-N	1	0	313.314	-0.160	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001319873828	806414489	/nfs/dbraw/zinc/41/44/89/806414489.db2.gz	SXBYMSHUMQRLDH-SNVBAGLBSA-N	1	0	310.358	-0.306	20	5		DBBDRO
C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCN(C)CC1	ZINC001320398789	806485385	/nfs/dbraw/zinc/48/53/85/806485385.db2.gz	KOYYCNGCAMBZKH-NSHDSACASA-N	1	0	324.385	-0.058	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001323633907	806897949	/nfs/dbraw/zinc/89/79/49/806897949.db2.gz	FMRJRTPIXNBANO-VXGBXAGGSA-N	1	0	323.353	-0.233	20	5		DBBDRO
O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	ZINC000880070584	806912211	/nfs/dbraw/zinc/91/22/11/806912211.db2.gz	RMBUYTUVCSLNQJ-GXTWGEPZSA-N	1	0	322.365	-0.103	20	5		DBBDRO
C[NH+](C)C[C@@H](O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000758836658	804196783	/nfs/dbraw/zinc/19/67/83/804196783.db2.gz	GKIMDMSXTITEHT-QMMMGPOBSA-N	1	0	318.355	-0.423	20	5		DBBDRO
O=C(N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001283042377	804394560	/nfs/dbraw/zinc/39/45/60/804394560.db2.gz	WYGKDOGEWBGZHR-DDHJBXDOSA-N	1	0	308.342	-0.572	20	5		DBBDRO
C[N@H+](CC(=O)NC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001283307693	804480723	/nfs/dbraw/zinc/48/07/23/804480723.db2.gz	RULMVHZLKWRVFW-CHWSQXEVSA-N	1	0	324.381	-0.147	20	5		DBBDRO
C[NH+](C)CC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC001285957447	805008505	/nfs/dbraw/zinc/00/85/05/805008505.db2.gz	KIATVZBGAXRTPK-GHMZBOCLSA-N	1	0	324.381	-0.242	20	5		DBBDRO
CON(C)C(=O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000819372651	805127293	/nfs/dbraw/zinc/12/72/93/805127293.db2.gz	DNIIAHXCSQVBPC-SNVBAGLBSA-N	1	0	313.310	-0.056	20	5		DBBDRO
CON(C)C(=O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000819373413	805127802	/nfs/dbraw/zinc/12/78/02/805127802.db2.gz	JSMWTIPERUBOCB-LLVKDONJSA-N	1	0	313.310	-0.056	20	5		DBBDRO
CON(C)C(=O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000819373414	805127987	/nfs/dbraw/zinc/12/79/87/805127987.db2.gz	JSMWTIPERUBOCB-NSHDSACASA-N	1	0	313.310	-0.056	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)c1	ZINC001326501446	807187679	/nfs/dbraw/zinc/18/76/79/807187679.db2.gz	FHZQGHUTOXRQSS-QWHCGFSZSA-N	1	0	314.342	-0.471	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)Cc2ccncc2)c1	ZINC001328411189	807423161	/nfs/dbraw/zinc/42/31/61/807423161.db2.gz	CITYEAPRRSKMHU-OCCSQVGLSA-N	1	0	321.337	-0.260	20	5		DBBDRO
C[NH2+]C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC001328718462	807460129	/nfs/dbraw/zinc/46/01/29/807460129.db2.gz	LMIJEEVFVQZZBO-UHFFFAOYSA-N	1	0	303.344	-0.299	20	5		DBBDRO
C[C@H]1CC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[NH2+]1	ZINC001329070514	807514681	/nfs/dbraw/zinc/51/46/81/807514681.db2.gz	RKOZXWBMBRYDPD-UWVGGRQHSA-N	1	0	324.341	-0.836	20	5		DBBDRO
C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC001329191700	807536128	/nfs/dbraw/zinc/53/61/28/807536128.db2.gz	OLPWILPJJNIODK-SFYZADRCSA-N	1	0	303.344	-0.314	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001331730167	807821865	/nfs/dbraw/zinc/82/18/65/807821865.db2.gz	JUIOOAPQALORFC-UWVGGRQHSA-N	1	0	309.326	-0.391	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001332151875	807878797	/nfs/dbraw/zinc/87/87/97/807878797.db2.gz	ILVLGAQJEARKMB-JTQLQIEISA-N	1	0	308.342	-0.552	20	5		DBBDRO
CN(CCN1CC[NH2+]CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001332413153	807914943	/nfs/dbraw/zinc/91/49/43/807914943.db2.gz	MAEGJVXUJSTUHC-UHFFFAOYSA-N	1	0	323.353	-0.880	20	5		DBBDRO
CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1	ZINC001333424598	808058575	/nfs/dbraw/zinc/05/85/75/808058575.db2.gz	XZFUTZGOOYWGKR-SCRDCRAPSA-N	1	0	323.353	-0.438	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000935842102	808058560	/nfs/dbraw/zinc/05/85/60/808058560.db2.gz	DEXXSOPMQRFCLD-LBPRGKRZSA-N	1	0	322.369	-0.394	20	5		DBBDRO
CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1	ZINC001333424595	808058850	/nfs/dbraw/zinc/05/88/50/808058850.db2.gz	XZFUTZGOOYWGKR-MBNYWOFBSA-N	1	0	323.353	-0.438	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](CCO)CC2)C1	ZINC000949092117	808393055	/nfs/dbraw/zinc/39/30/55/808393055.db2.gz	PPPCMRDSVNCOEQ-VXGBXAGGSA-N	1	0	313.354	-0.663	20	5		DBBDRO
CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)F	ZINC001336774726	808414934	/nfs/dbraw/zinc/41/49/34/808414934.db2.gz	WXYULOZYMMILSS-JTQLQIEISA-N	1	0	307.301	-0.061	20	5		DBBDRO
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[N@H+](C)CCN1C	ZINC001339070640	808578199	/nfs/dbraw/zinc/57/81/99/808578199.db2.gz	TYRJRPWLCFNJLL-ONGXEEELSA-N	1	0	310.358	-0.308	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001340065772	808618277	/nfs/dbraw/zinc/61/82/77/808618277.db2.gz	RQTYCRGJUDGXTN-ZDUSSCGKSA-N	1	0	308.338	-0.007	20	5		DBBDRO
O=C(COc1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1	ZINC001341855153	808702836	/nfs/dbraw/zinc/70/28/36/808702836.db2.gz	WFQVWGMLVOVVIN-UHFFFAOYSA-N	1	0	308.338	-0.005	20	5		DBBDRO
NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001040701320	815433688	/nfs/dbraw/zinc/43/36/88/815433688.db2.gz	ZBOCLRQPFSRPGB-GHMZBOCLSA-N	1	0	310.354	-0.549	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1	ZINC001048812760	817447986	/nfs/dbraw/zinc/44/79/86/817447986.db2.gz	PHEYLCGUKBKODU-YVECIDJPSA-N	1	0	320.353	-0.667	20	5		DBBDRO
C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1	ZINC001055331965	818235108	/nfs/dbraw/zinc/23/51/08/818235108.db2.gz	XSXIWVKXUBAEBP-YVECIDJPSA-N	1	0	324.381	-0.480	20	5		DBBDRO
Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001086363236	825243071	/nfs/dbraw/zinc/24/30/71/825243071.db2.gz	JCVGBXVTGVWQRY-CNVPUSNMSA-N	1	0	308.342	-0.535	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCC1	ZINC001086363090	825243372	/nfs/dbraw/zinc/24/33/72/825243372.db2.gz	BCALHKRUZKLXDM-DDHJBXDOSA-N	1	0	310.354	-0.632	20	5		DBBDRO
[NH3+]Cc1cn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])cn1	ZINC001162298338	833087127	/nfs/dbraw/zinc/08/71/27/833087127.db2.gz	FJNHXRYCKIUPHX-UHFFFAOYSA-N	1	0	305.298	-0.134	20	5		DBBDRO
Nc1nc(=O)[nH]cc1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001162784338	833119272	/nfs/dbraw/zinc/11/92/72/833119272.db2.gz	IPBMNROOQCYNMQ-UHFFFAOYSA-N	1	0	304.270	-0.107	20	5		DBBDRO
O=C1NC[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])O1	ZINC001163016137	833126960	/nfs/dbraw/zinc/12/69/60/833126960.db2.gz	NZNZADRTHXTNOB-QMMMGPOBSA-N	1	0	323.313	-0.685	20	5		DBBDRO
NC(=O)c1nc(N[C@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-]	ZINC001163064812	833130373	/nfs/dbraw/zinc/13/03/73/833130373.db2.gz	IDTCWRGDNUAKRA-VIFPVBQESA-N	1	0	307.310	-0.121	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)N1	ZINC001163236329	833140518	/nfs/dbraw/zinc/14/05/18/833140518.db2.gz	HRAUPGNAMFITCV-JMCQJSRRSA-N	1	0	303.282	-0.144	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001163255258	833143864	/nfs/dbraw/zinc/14/38/64/833143864.db2.gz	UUFOBGAVTPJQAS-TVQRCGJNSA-N	1	0	321.293	-0.234	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2CCn3cnnc3C2)nc1C1C[NH2+]C1	ZINC001163682149	833162960	/nfs/dbraw/zinc/16/29/60/833162960.db2.gz	VVVYFGZXWMGHBV-UHFFFAOYSA-N	1	0	302.298	-0.317	20	5		DBBDRO
O=[N+]([O-])c1c(N2C[C@@H](O)[C@@H](F)C2)ncnc1N1CC[NH2+]CC1	ZINC001164104273	833191176	/nfs/dbraw/zinc/19/11/76/833191176.db2.gz	QYUUYHJZSOGWEO-DTWKUNHWSA-N	1	0	312.305	-0.687	20	5		DBBDRO
COc1nc(N(C)S(=O)(=O)CC[NH3+])nc(C)c1[N+](=O)[O-]	ZINC001164286975	833199624	/nfs/dbraw/zinc/19/96/24/833199624.db2.gz	FTSFUAHFZDHZRC-UHFFFAOYSA-N	1	0	305.316	-0.573	20	5		DBBDRO
Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001164490422	833214236	/nfs/dbraw/zinc/21/42/36/833214236.db2.gz	IYOIGLKCVZLBAN-NXEZZACHSA-N	1	0	323.357	-0.749	20	5		DBBDRO
O=C1NCCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C12C[NH2+]C2	ZINC001165298502	833237545	/nfs/dbraw/zinc/23/75/45/833237545.db2.gz	WTTNQKYBGIEECL-UHFFFAOYSA-N	1	0	314.305	-0.184	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]	ZINC001165439650	833246572	/nfs/dbraw/zinc/24/65/72/833246572.db2.gz	STHMFNYBKFBXGJ-QMMMGPOBSA-N	1	0	316.701	-0.167	20	5		DBBDRO
NC(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1	ZINC001166933993	833286118	/nfs/dbraw/zinc/28/61/18/833286118.db2.gz	WAHNTUOLYDRQDN-MRVPVSSYSA-N	1	0	306.326	-0.227	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([NH3+])C[C@H]1C(=O)OC	ZINC001166962444	833287417	/nfs/dbraw/zinc/28/74/17/833287417.db2.gz	XLBDCVGAMPVOCH-XCBNKYQSSA-N	1	0	324.293	-0.145	20	5		DBBDRO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C1C[NH2+]C1)S(C)(=O)=O	ZINC001166969324	833288027	/nfs/dbraw/zinc/28/80/27/833288027.db2.gz	RYMAXINKJQJVIN-UHFFFAOYSA-N	1	0	302.312	-0.726	20	5		DBBDRO
O=C1CC[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C(=O)N1	ZINC001167569925	833304803	/nfs/dbraw/zinc/30/48/03/833304803.db2.gz	XAMXYVLBVGKGFN-ZETCQYMHSA-N	1	0	306.282	-0.711	20	5		DBBDRO
C[NH+]1CCN(C(=N)Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC001168736551	833327186	/nfs/dbraw/zinc/32/71/86/833327186.db2.gz	NKTTZLICKLMHSK-UHFFFAOYSA-N	1	0	307.314	-0.317	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-]	ZINC001118131903	829038165	/nfs/dbraw/zinc/03/81/65/829038165.db2.gz	OMVSVLWFVUCMMI-VHSXEESVSA-N	1	0	319.325	-0.073	20	5		DBBDRO
COc1ccc(C[C@H](C)[NH2+]CC(=O)NCC(N)=O)c([N+](=O)[O-])c1	ZINC001170326384	833351073	/nfs/dbraw/zinc/35/10/73/833351073.db2.gz	ILYSVMNMUPYULU-VIFPVBQESA-N	1	0	324.337	-0.275	20	5		DBBDRO
NC(=O)c1ccnc(NCCOCCOCC[NH3+])c1[N+](=O)[O-]	ZINC001170508369	833354800	/nfs/dbraw/zinc/35/48/00/833354800.db2.gz	QEZPAEQGYRHLMK-UHFFFAOYSA-N	1	0	313.314	-0.508	20	5		DBBDRO
C[NH2+]CCOCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC001118919327	829152882	/nfs/dbraw/zinc/15/28/82/829152882.db2.gz	IYUDMHCCTNKKIC-UHFFFAOYSA-N	1	0	324.337	-0.437	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1	ZINC001118946445	829196622	/nfs/dbraw/zinc/19/66/22/829196622.db2.gz	BCHMEFBEQNZVKV-VIFPVBQESA-N	1	0	324.341	-0.602	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)n1	ZINC001175128846	833388074	/nfs/dbraw/zinc/38/80/74/833388074.db2.gz	QBTRGNBLSZAWDA-ZDUSSCGKSA-N	1	0	311.342	-0.050	20	5		DBBDRO
Cn1ccc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1	ZINC001176081439	833400377	/nfs/dbraw/zinc/40/03/77/833400377.db2.gz	UCKZUOALQFVMAX-UHFFFAOYSA-N	1	0	321.341	-0.029	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC001121938698	829531462	/nfs/dbraw/zinc/53/14/62/829531462.db2.gz	CKNLFBBINLDJQC-GFCCVEGCSA-N	1	0	322.369	-0.394	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1nccs1	ZINC001126932411	829970418	/nfs/dbraw/zinc/97/04/18/829970418.db2.gz	WIKMTFFHZCOMCB-HTQZYQBOSA-N	1	0	313.339	-0.547	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccccc1	ZINC001126942674	829971619	/nfs/dbraw/zinc/97/16/19/829971619.db2.gz	DJTTXHNVKDVKMA-VXGBXAGGSA-N	1	0	306.322	-0.004	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC(F)(F)F	ZINC001126942620	829971920	/nfs/dbraw/zinc/97/19/20/829971920.db2.gz	CQJJYJOLZMEZKE-RNFRBKRXSA-N	1	0	312.248	-0.964	20	5		DBBDRO
Cn1nnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1	ZINC001132523519	830663966	/nfs/dbraw/zinc/66/39/66/830663966.db2.gz	MHWAWYTWBYCMCL-UHFFFAOYSA-N	1	0	305.298	-0.362	20	5		DBBDRO
O=C(CCn1cnnn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001135677801	831106522	/nfs/dbraw/zinc/10/65/22/831106522.db2.gz	ZYFNOLXBGZVTRM-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1	ZINC001147026342	831327057	/nfs/dbraw/zinc/32/70/57/831327057.db2.gz	HVDUUZQMGGZWPT-LLVKDONJSA-N	1	0	311.342	-0.063	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1	ZINC001154773319	831899103	/nfs/dbraw/zinc/89/91/03/831899103.db2.gz	NNMKNMBCSLVMPC-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767100	832061623	/nfs/dbraw/zinc/06/16/23/832061623.db2.gz	HHRUCQVJTDYRJI-NXEZZACHSA-N	1	0	324.341	-0.931	20	5		DBBDRO
CCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157761362	832061752	/nfs/dbraw/zinc/06/17/52/832061752.db2.gz	PIOJOJOLWZPWAQ-GHMZBOCLSA-N	1	0	310.358	-0.132	20	5		DBBDRO
Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O	ZINC001157760708	832061960	/nfs/dbraw/zinc/06/19/60/832061960.db2.gz	HQMYIPNBFJWUGE-VXGBXAGGSA-N	1	0	308.338	-0.354	20	5		DBBDRO
CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775044	832062858	/nfs/dbraw/zinc/06/28/58/832062858.db2.gz	JELREIKOYZRMEK-GHMZBOCLSA-N	1	0	300.359	-0.480	20	5		DBBDRO
CN1C[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1=O	ZINC001157909373	832072033	/nfs/dbraw/zinc/07/20/33/832072033.db2.gz	PZIMRORYHHOWCX-MRVPVSSYSA-N	1	0	306.326	-0.038	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@H+]1CCCO	ZINC001159092297	832155818	/nfs/dbraw/zinc/15/58/18/832155818.db2.gz	XEOBPKQKFCNKJT-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
NC(=O)c1ccnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1[N+](=O)[O-]	ZINC001187525604	833932171	/nfs/dbraw/zinc/93/21/71/833932171.db2.gz	UCPUWUJNOJUVHX-VHSXEESVSA-N	1	0	321.337	-0.266	20	5		DBBDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc(OC)c1[N+](=O)[O-]	ZINC001159754898	832840221	/nfs/dbraw/zinc/84/02/21/832840221.db2.gz	ABYJQNVUFFOTRX-HTQZYQBOSA-N	1	0	311.298	-0.044	20	5		DBBDRO
[NH3+]CCC[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(=O)[O-]	ZINC001160601588	832923732	/nfs/dbraw/zinc/92/37/32/832923732.db2.gz	VDFXWRIJGDTMRT-QMMMGPOBSA-N	1	0	310.314	-0.324	20	5		DBBDRO
COc1ncnc(NCCN(CC[NH3+])N(O)N=O)c1[N+](=O)[O-]	ZINC001161092211	832975695	/nfs/dbraw/zinc/97/56/95/832975695.db2.gz	NXYKSZDSYRMETE-UHFFFAOYSA-N	1	0	316.278	-0.646	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CC2)n1	ZINC001191800194	834293257	/nfs/dbraw/zinc/29/32/57/834293257.db2.gz	AXJWDANXPSSRRS-UHFFFAOYSA-N	1	0	303.344	-0.299	20	5		DBBDRO
C[NH+]1CCN(CCCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1	ZINC001255165284	834606121	/nfs/dbraw/zinc/60/61/21/834606121.db2.gz	PELQCXNCPGGTPT-UHFFFAOYSA-N	1	0	323.353	-0.507	20	5		DBBDRO
NC(=O)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001194525072	834608165	/nfs/dbraw/zinc/60/81/65/834608165.db2.gz	ITZBMWOGBDIWMN-AOOOYVTPSA-N	1	0	318.289	-0.602	20	5		DBBDRO
COC(=O)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](C)C1	ZINC001195225803	834665218	/nfs/dbraw/zinc/66/52/18/834665218.db2.gz	VNDGQZNYPACWCJ-LLVKDONJSA-N	1	0	311.342	-0.172	20	5		DBBDRO
C[C@@H]([NH3+])CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC001261382321	834780572	/nfs/dbraw/zinc/78/05/72/834780572.db2.gz	HQOLBCAKOBYLEQ-SECBINFHSA-N	1	0	306.322	-0.057	20	5		DBBDRO
O=C(NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1	ZINC001200471065	835131711	/nfs/dbraw/zinc/13/17/11/835131711.db2.gz	CTWPEPVXCMDZMX-CHWSQXEVSA-N	1	0	324.381	-0.242	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCOCCO)CC1	ZINC001205224641	835338301	/nfs/dbraw/zinc/33/83/01/835338301.db2.gz	VUQYEQBCWYPEMM-CHWSQXEVSA-N	1	0	315.370	-0.511	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cc1nnc[nH]1	ZINC001267454654	835515600	/nfs/dbraw/zinc/51/56/00/835515600.db2.gz	HGKYWKCYPJCZRI-UHFFFAOYSA-N	1	0	322.329	-0.763	20	5		DBBDRO
Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)nn1	ZINC001268035974	835625662	/nfs/dbraw/zinc/62/56/62/835625662.db2.gz	JSVRWWCOJMTBLE-VXGBXAGGSA-N	1	0	322.369	-0.001	20	5		DBBDRO
C[N@H+](CCOCCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001485757559	1013348823	/nfs/dbraw/zinc/34/88/23/1013348823.db2.gz	UXSORUSDLZEQLZ-CHWSQXEVSA-N	1	0	315.370	-0.417	20	5		DBBDRO
C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001528038130	1014341152	/nfs/dbraw/zinc/34/11/52/1014341152.db2.gz	UUDVNNSHYCEMSD-ZYHUDNBSSA-N	1	0	308.342	-0.704	20	5		DBBDRO
O=C(NCC1CC[NH+](CCOCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001223114904	979538674	/nfs/dbraw/zinc/53/86/74/979538674.db2.gz	WOGWLQJBIKHRPU-CHWSQXEVSA-N	1	0	315.370	-0.511	20	5		DBBDRO
C[N@@H+]1CCC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1	ZINC001224797360	979583042	/nfs/dbraw/zinc/58/30/42/979583042.db2.gz	ODPDGLNNOJQEKK-SNVBAGLBSA-N	1	0	316.314	-0.421	20	5		DBBDRO
CC1(C)O[C@H]2O[C@@H]3[C@H](OCC[N+](C)(C)C)C(=O)O[C@@H]3[C@H]2O1	ZINC001224772609	979583891	/nfs/dbraw/zinc/58/38/91/979583891.db2.gz	BAGGQRVGAOYFRZ-HKLXJQGRSA-N	1	0	302.347	-0.120	20	5		DBBDRO
C[N+](C)(C)CCO[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-]	ZINC001224773628	979583940	/nfs/dbraw/zinc/58/39/40/979583940.db2.gz	LKHLEIAZGICAAN-ZDUSSCGKSA-O	1	0	304.412	-0.047	20	5		DBBDRO
CC(C)[N@@H+]1CC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795892	979584352	/nfs/dbraw/zinc/58/43/52/979584352.db2.gz	CZTZDLIIDWIUMZ-JTQLQIEISA-N	1	0	316.314	-0.422	20	5		DBBDRO
O=C(NCCNC(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001348934578	980387481	/nfs/dbraw/zinc/38/74/81/980387481.db2.gz	OFZZGUBDNQATSD-GHMZBOCLSA-N	1	0	310.354	-0.488	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC001350717736	980595991	/nfs/dbraw/zinc/59/59/91/980595991.db2.gz	RXPYUAJXKZQRFQ-UHFFFAOYSA-N	1	0	322.369	-0.360	20	5		DBBDRO
CN1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC001356533628	980954442	/nfs/dbraw/zinc/95/44/42/980954442.db2.gz	RWQSOWBCWPANHR-PWSUYJOCSA-N	1	0	311.342	-0.390	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001357815129	981094147	/nfs/dbraw/zinc/09/41/47/981094147.db2.gz	RNJSHKWUPVEIIV-XLMCQVRKSA-N	1	0	312.370	-0.220	20	5		DBBDRO
C[NH+](C)C1(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1	ZINC001530496179	1014716006	/nfs/dbraw/zinc/71/60/06/1014716006.db2.gz	KKKBOXRUPZFHQM-GHMZBOCLSA-N	1	0	310.354	-0.537	20	5		DBBDRO
CC(C)(C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCC1	ZINC001491284432	1015332779	/nfs/dbraw/zinc/33/27/79/1015332779.db2.gz	VVFNRPMLSWMZLA-GHMZBOCLSA-N	1	0	312.370	-0.242	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC001540508399	1015522646	/nfs/dbraw/zinc/52/26/46/1015522646.db2.gz	XOGKFEXBIJPNBP-AWEZNQCLSA-N	1	0	322.365	-0.008	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001492349809	1015785413	/nfs/dbraw/zinc/78/54/13/1015785413.db2.gz	VYTUJZZIZNINQG-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1ncnn1	ZINC001493551311	1015987806	/nfs/dbraw/zinc/98/78/06/1015987806.db2.gz	XPRSYZLOKLYRBT-UHFFFAOYSA-N	1	0	319.325	-0.171	20	5		DBBDRO
CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C	ZINC001493859763	1016080830	/nfs/dbraw/zinc/08/08/30/1016080830.db2.gz	WWOLQBBVJFQXEE-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](CO)[C@H](O)C1	ZINC001460219537	1009075708	/nfs/dbraw/zinc/07/57/08/1009075708.db2.gz	AHJPJRPHLZIIBN-NQBHXWOUSA-N	1	0	312.322	-0.381	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1	ZINC001465079304	1009362512	/nfs/dbraw/zinc/36/25/12/1009362512.db2.gz	DDTRWYOBIHRWGQ-SNVBAGLBSA-N	1	0	308.342	-0.452	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001467810862	1009522710	/nfs/dbraw/zinc/52/27/10/1009522710.db2.gz	GELNXIYFNVUEFF-NWDGAFQWSA-N	1	0	323.353	-0.233	20	5		DBBDRO
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001471001248	1009801538	/nfs/dbraw/zinc/80/15/38/1009801538.db2.gz	AQGKPIOFGKRQDE-VIFPVBQESA-N	1	0	312.330	-0.852	20	5		DBBDRO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCOCCO)CC1	ZINC001479886795	1010429764	/nfs/dbraw/zinc/42/97/64/1010429764.db2.gz	CKLPFPJLXFLIJB-CHWSQXEVSA-N	1	0	315.370	-0.417	20	5		DBBDRO
O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NC1CC1	ZINC001481897101	1011024384	/nfs/dbraw/zinc/02/43/84/1011024384.db2.gz	NXSCAUXTNZCORC-VXGBXAGGSA-N	1	0	324.381	-0.051	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N(CCO)C2CC[NH+](C)CC2)n1	ZINC001452534858	1011297587	/nfs/dbraw/zinc/29/75/87/1011297587.db2.gz	UWXLTXNCFZYQCC-UHFFFAOYSA-N	1	0	311.342	-0.143	20	5		DBBDRO
O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1	ZINC001483733090	1012097407	/nfs/dbraw/zinc/09/74/07/1012097407.db2.gz	SGNBMWSNFBCBIH-VXGBXAGGSA-N	1	0	324.381	-0.051	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001597701987	1017204355	/nfs/dbraw/zinc/20/43/55/1017204355.db2.gz	XYNQPPSFADGZDK-JTQLQIEISA-N	1	0	309.326	-0.229	20	5		DBBDRO
O=C(NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001499221910	1018032686	/nfs/dbraw/zinc/03/26/86/1018032686.db2.gz	WFFWQERNWCLXAL-NXEZZACHSA-N	1	0	324.337	-0.961	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccccn1	ZINC001501458371	1018754093	/nfs/dbraw/zinc/75/40/93/1018754093.db2.gz	ZMXKOLWEOXSVJA-CHWSQXEVSA-N	1	0	308.338	-0.343	20	5		DBBDRO
O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@H](O)C[C@H]1CO	ZINC001607083794	1018949570	/nfs/dbraw/zinc/94/95/70/1018949570.db2.gz	MYUVSBSXWAZXNN-DTWKUNHWSA-N	1	0	320.309	-0.298	20	5		DBBDRO
CN(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001577212580	1020031449	/nfs/dbraw/zinc/03/14/49/1020031449.db2.gz	LAGYNEJSYIBKMX-VXGBXAGGSA-N	1	0	324.381	-0.288	20	5		DBBDRO
O=C(N[C@H]1C[C@H](C[NH2+]CCc2cn[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001578023458	1020173098	/nfs/dbraw/zinc/17/30/98/1020173098.db2.gz	NCSCMDASAKCSIF-HJQYOEGKSA-N	1	0	308.342	-0.503	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]CCO)CC2)n1	ZINC001578350364	1020216984	/nfs/dbraw/zinc/21/69/84/1020216984.db2.gz	MMDCCEWPLWRKFH-UHFFFAOYSA-N	1	0	311.342	-0.002	20	5		DBBDRO
COc1ccc([N+](=O)[O-])c(C(=O)N2CC(=O)NCC23C[NH2+]C3)c1	ZINC001579242565	1020397864	/nfs/dbraw/zinc/39/78/64/1020397864.db2.gz	SLKHTGXMGDVGHS-UHFFFAOYSA-N	1	0	320.305	-0.483	20	5		DBBDRO
Cc1c(C(=O)N2CC(=O)NCC23C[NH2+]C3)cccc1[N+](=O)[O-]	ZINC001579520008	1020475982	/nfs/dbraw/zinc/47/59/82/1020475982.db2.gz	ZMKRJXSXCTZUNL-UHFFFAOYSA-N	1	0	304.306	-0.183	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1CC[NH2+]CC1	ZINC001579877654	1020582658	/nfs/dbraw/zinc/58/26/58/1020582658.db2.gz	WSFFKZBJMJKBKX-UHFFFAOYSA-N	1	0	310.358	-0.489	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])n1	ZINC001579970500	1020608249	/nfs/dbraw/zinc/60/82/49/1020608249.db2.gz	YBASTKMQHNHNGF-KCJUWKMLSA-N	1	0	315.355	-0.170	20	5		DBBDRO
O=C(CN1CC[NH2+]C[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21	ZINC001580548963	1020748076	/nfs/dbraw/zinc/74/80/76/1020748076.db2.gz	KWBVGOYPKKLAGW-ZDUSSCGKSA-N	1	0	320.349	-0.250	20	5		DBBDRO
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@H]1CC[NH2+]C1	ZINC001580547667	1020748314	/nfs/dbraw/zinc/74/83/14/1020748314.db2.gz	BDCXJMDGQGAUMS-QMMMGPOBSA-N	1	0	318.289	-0.331	20	5		DBBDRO
O=Cc1ccc(OCC(=O)N2CC[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1	ZINC001580857724	1020807686	/nfs/dbraw/zinc/80/76/86/1020807686.db2.gz	BVSVYRQBLLVMDX-LLVKDONJSA-N	1	0	323.305	-0.421	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001581468168	1020837307	/nfs/dbraw/zinc/83/73/07/1020837307.db2.gz	GBNBESBOIUYGMB-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001526178859	1022454987	/nfs/dbraw/zinc/45/49/87/1022454987.db2.gz	JWABNXZPBWHBGQ-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001558550110	1023962342	/nfs/dbraw/zinc/96/23/42/1023962342.db2.gz	HLWONGXNSPBJHJ-JTQLQIEISA-N	1	0	309.326	-0.311	20	5		DBBDRO
Nc1nccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-]	ZINC001558548555	1023962959	/nfs/dbraw/zinc/96/29/59/1023962959.db2.gz	DAGCBTVWBDVYOT-QMMMGPOBSA-N	1	0	307.310	-0.225	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC001558702415	1023968898	/nfs/dbraw/zinc/96/88/98/1023968898.db2.gz	RHYZLSWQTPSBGM-WDEREUQCSA-N	1	0	323.353	-0.001	20	5		DBBDRO
COC1(OC)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O	ZINC001560103118	1024005905	/nfs/dbraw/zinc/00/59/05/1024005905.db2.gz	HETJRDUSLOZSGL-SNVBAGLBSA-N	1	0	300.315	-0.153	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1(C(N)=O)CC1	ZINC001567554430	1024785572	/nfs/dbraw/zinc/78/55/72/1024785572.db2.gz	YXADTZWSGAQKLZ-UHFFFAOYSA-N	1	0	324.341	-0.858	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1	ZINC001567818325	1024827137	/nfs/dbraw/zinc/82/71/37/1024827137.db2.gz	HGRMDZILVGIJQK-UHFFFAOYSA-N	1	0	324.385	-0.031	20	5		DBBDRO
CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1	ZINC001567998218	1024857667	/nfs/dbraw/zinc/85/76/67/1024857667.db2.gz	FGHIGXNAWXYAFX-GHMZBOCLSA-N	1	0	312.370	-0.194	20	5		DBBDRO
O=[N+]([O-])c1cnn(CCNS(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1	ZINC001574441569	1026789274	/nfs/dbraw/zinc/78/92/74/1026789274.db2.gz	ZNORZFHRFSTCNT-JTQLQIEISA-N	1	0	317.371	-0.147	20	5		DBBDRO
Nc1nccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000599940151	412521453	/nfs/dbraw/zinc/52/14/53/412521453.db2.gz	LTRCFIVSLFFYBL-UWVGGRQHSA-N	1	0	321.337	-0.147	20	5		DBBDRO
Nc1nccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000599940153	412522580	/nfs/dbraw/zinc/52/25/80/412522580.db2.gz	LTRCFIVSLFFYBL-ZJUUUORDSA-N	1	0	321.337	-0.147	20	5		DBBDRO
Nc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000375774328	412522990	/nfs/dbraw/zinc/52/29/90/412522990.db2.gz	OKKJEFPUWCRCMM-KOLCDFICSA-N	1	0	308.342	0.002	20	5		DBBDRO
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000278052069	138096551	/nfs/dbraw/zinc/09/65/51/138096551.db2.gz	YDUHIDNXWJMWDD-UONOGXRCSA-N	1	0	320.349	-0.034	20	5		DBBDRO
O=C1CCCN1[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000340976722	138102901	/nfs/dbraw/zinc/10/29/01/138102901.db2.gz	RMNSOJRHTLOCJT-WCQYABFASA-N	1	0	323.353	-0.151	20	5		DBBDRO
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC[NH3+])CCO	ZINC000342388281	138123400	/nfs/dbraw/zinc/12/34/00/138123400.db2.gz	MTTDLQHYBLVEHT-UHFFFAOYSA-N	1	0	312.326	-0.205	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000358210455	138149158	/nfs/dbraw/zinc/14/91/58/138149158.db2.gz	JLZDQJGYJFCMAJ-GFCCVEGCSA-N	1	0	315.351	-0.060	20	5		DBBDRO
CCN1C(=O)[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O	ZINC000375882613	138184641	/nfs/dbraw/zinc/18/46/41/138184641.db2.gz	SHLKVWOANXRDBV-JTQLQIEISA-N	1	0	322.325	-0.240	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000264588963	283351515	/nfs/dbraw/zinc/35/15/15/283351515.db2.gz	VTRKWIOAIYDMMP-SNVBAGLBSA-N	1	0	309.326	-0.008	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nnc3ccccn32)c1	ZINC000562450057	284010838	/nfs/dbraw/zinc/01/08/38/284010838.db2.gz	CFIMTIAANOPUAT-LLVKDONJSA-N	1	0	317.309	-0.015	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nnc3ccccn32)c1	ZINC000562450058	284011132	/nfs/dbraw/zinc/01/11/32/284011132.db2.gz	CFIMTIAANOPUAT-NSHDSACASA-N	1	0	317.309	-0.015	20	5		DBBDRO
C[C@H](CN1CCCC1=O)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000562492485	284011751	/nfs/dbraw/zinc/01/17/51/284011751.db2.gz	PRZBRMVSACHCCE-ZYHUDNBSSA-N	1	0	311.342	-0.247	20	5		DBBDRO
C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000562992998	284018926	/nfs/dbraw/zinc/01/89/26/284018926.db2.gz	ZVXNGNYSORTJPO-URBCHYCLSA-N	1	0	323.353	-0.249	20	5		DBBDRO
CCn1c(C)nc([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000565232719	284089081	/nfs/dbraw/zinc/08/90/81/284089081.db2.gz	LJWHYVPPUHLTDZ-VHSXEESVSA-N	1	0	308.342	-0.132	20	5		DBBDRO
C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C[NH+]1CCN(C)CC1	ZINC000565694352	284102485	/nfs/dbraw/zinc/10/24/85/284102485.db2.gz	WHOLETHMHMLABH-SNVBAGLBSA-N	1	0	310.358	-0.069	20	5		DBBDRO
C[NH+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O	ZINC000565774780	284104237	/nfs/dbraw/zinc/10/42/37/284104237.db2.gz	QBVPXGNDBVIPKD-UHFFFAOYSA-N	1	0	300.290	-0.037	20	5		DBBDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000598185360	376199724	/nfs/dbraw/zinc/19/97/24/376199724.db2.gz	OSPAPOZJHCBYNU-UHFFFAOYSA-N	1	0	312.330	-0.590	20	5		DBBDRO
CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000578377148	374396177	/nfs/dbraw/zinc/39/61/77/374396177.db2.gz	GRWNLTLCZAADNH-JTQLQIEISA-N	1	0	314.346	-0.605	20	5		DBBDRO
C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247181796	374414937	/nfs/dbraw/zinc/41/49/37/374414937.db2.gz	BJKMKCXSQHTEAF-JFGNBEQYSA-N	1	0	311.342	-0.262	20	5		DBBDRO
C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C	ZINC000578670970	374449481	/nfs/dbraw/zinc/44/94/81/374449481.db2.gz	LZZZOXGNXLHBDT-VIFPVBQESA-N	1	0	323.353	-0.027	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C[NH3+])C1	ZINC000579246390	374518518	/nfs/dbraw/zinc/51/85/18/374518518.db2.gz	JTCJVHVTUMKKDU-VIFPVBQESA-N	1	0	315.355	-0.747	20	5		DBBDRO
C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)CN1CCOCC1	ZINC000083244547	374545873	/nfs/dbraw/zinc/54/58/73/374545873.db2.gz	AVHXDHGKYHDGGH-ZDUSSCGKSA-N	1	0	313.358	-0.584	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NC1(CCO)CC[NH+](C)CC1	ZINC000360668362	374678615	/nfs/dbraw/zinc/67/86/15/374678615.db2.gz	GSQJSZRYOGJZAT-UHFFFAOYSA-N	1	0	311.342	-0.095	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604471	374694804	/nfs/dbraw/zinc/69/48/04/374694804.db2.gz	UMZIJYVTVOFZGD-XQQFMLRXSA-N	1	0	312.322	-0.238	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N	ZINC000588866164	374769222	/nfs/dbraw/zinc/76/92/22/374769222.db2.gz	FSOKPXGCDINLCC-QMMMGPOBSA-N	1	0	300.290	-0.032	20	5		DBBDRO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]12	ZINC000248563301	375142045	/nfs/dbraw/zinc/14/20/45/375142045.db2.gz	BFGIOIIQTKVWNI-ADEWGFFLSA-N	1	0	306.322	-0.048	20	5		DBBDRO
CC(C)(CO)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1	ZINC000589573412	375460107	/nfs/dbraw/zinc/46/01/07/375460107.db2.gz	HDPURGGGUOIVSI-UHFFFAOYSA-N	1	0	323.353	-0.018	20	5		DBBDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1	ZINC000590446970	375541820	/nfs/dbraw/zinc/54/18/20/375541820.db2.gz	XPUOUPBYCAYPFI-ZYHUDNBSSA-N	1	0	306.322	-0.081	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000178115690	375508949	/nfs/dbraw/zinc/50/89/49/375508949.db2.gz	ZDEPMOBNSNOZQK-LBPRGKRZSA-N	1	0	323.353	-0.028	20	5		DBBDRO
COC(=O)c1ccc(S(=O)(=O)NC2C[NH2+]C2)cc1[N+](=O)[O-]	ZINC000566678052	375632656	/nfs/dbraw/zinc/63/26/56/375632656.db2.gz	NVULQQWAFIDNQA-UHFFFAOYSA-N	1	0	315.307	-0.369	20	5		DBBDRO
C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1	ZINC000592374705	375796753	/nfs/dbraw/zinc/79/67/53/375796753.db2.gz	OYCPAACSAWZFGI-BDAKNGLRSA-N	1	0	316.339	-0.274	20	5		DBBDRO
CN(C)C[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592432380	375801557	/nfs/dbraw/zinc/80/15/57/375801557.db2.gz	WAXMPZGTBKPPLM-YPMHNXCESA-N	1	0	313.354	-0.153	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-]	ZINC000592547886	375811266	/nfs/dbraw/zinc/81/12/66/375811266.db2.gz	BCYOSDMMNIBGFK-MRVPVSSYSA-N	1	0	311.298	-0.397	20	5		DBBDRO
Cc1c(C(=O)NC[C@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000592546932	375811314	/nfs/dbraw/zinc/81/13/14/375811314.db2.gz	MCSZHCCBUGDYCY-LURJTMIESA-N	1	0	316.339	-0.372	20	5		DBBDRO
Cc1cc(C(=O)NCC(=O)NCC2C[NH2+]C2)ccc1[N+](=O)[O-]	ZINC000592318177	375793020	/nfs/dbraw/zinc/79/30/20/375793020.db2.gz	VUNUYCSQCZLXQD-UHFFFAOYSA-N	1	0	306.322	-0.031	20	5		DBBDRO
O=C1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC000566969194	375859238	/nfs/dbraw/zinc/85/92/38/375859238.db2.gz	YCNSDKNBOJRBHJ-SKDRFNHKSA-N	1	0	309.326	-0.495	20	5		DBBDRO
C[NH+](C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593575701	375871756	/nfs/dbraw/zinc/87/17/56/375871756.db2.gz	NCSOGNUEPNEJNY-UHFFFAOYSA-N	1	0	318.355	-0.154	20	5		DBBDRO
O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594025840	375907248	/nfs/dbraw/zinc/90/72/48/375907248.db2.gz	SFWWRPHBAFDGOP-QWHCGFSZSA-N	1	0	308.338	-0.493	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000594874246	375967873	/nfs/dbraw/zinc/96/78/73/375967873.db2.gz	QEQZEGRGRDFETB-OLZOCXBDSA-N	1	0	318.333	-0.092	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1	ZINC000595109551	375973257	/nfs/dbraw/zinc/97/32/57/375973257.db2.gz	WUMKHTAQLFMITC-SNVBAGLBSA-N	1	0	315.355	-0.747	20	5		DBBDRO
[NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1	ZINC000595107382	375973525	/nfs/dbraw/zinc/97/35/25/375973525.db2.gz	BYDBKGRVYYHFCM-VIFPVBQESA-N	1	0	302.312	-0.662	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1	ZINC000595609646	376023413	/nfs/dbraw/zinc/02/34/13/376023413.db2.gz	ZPJQNFGPNZCLDB-YPMHNXCESA-N	1	0	321.341	-0.234	20	5		DBBDRO
O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1(O)C[NH2+]C1	ZINC000595927887	376043514	/nfs/dbraw/zinc/04/35/14/376043514.db2.gz	DAGUFGHNSCIKFD-UHFFFAOYSA-N	1	0	306.322	-0.422	20	5		DBBDRO
O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1(O)C[NH2+]C1	ZINC000595941716	376055786	/nfs/dbraw/zinc/05/57/86/376055786.db2.gz	BFPJYXWJEHTBQS-UHFFFAOYSA-N	1	0	306.322	-0.422	20	5		DBBDRO
C[NH+](C)CCN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1=O	ZINC000596290609	376079251	/nfs/dbraw/zinc/07/92/51/376079251.db2.gz	OWXPCHBLMNKPKZ-UHFFFAOYSA-N	1	0	308.342	-0.218	20	5		DBBDRO
NC(=O)c1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000596296845	376079691	/nfs/dbraw/zinc/07/96/91/376079691.db2.gz	DXJWLLUTVTWTGN-WDEREUQCSA-N	1	0	306.322	-0.051	20	5		DBBDRO
C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000597693487	376164376	/nfs/dbraw/zinc/16/43/76/376164376.db2.gz	FDGYCKUGKFMAJJ-MNOVXSKESA-N	1	0	324.341	-0.492	20	5		DBBDRO
COC(=O)c1ccnc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000598627720	376217367	/nfs/dbraw/zinc/21/73/67/376217367.db2.gz	PZUUVLBFFCICEK-UWVGGRQHSA-N	1	0	310.310	-0.113	20	5		DBBDRO
C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC000599095754	376242467	/nfs/dbraw/zinc/24/24/67/376242467.db2.gz	HUIZIVIGSADHDH-SECBINFHSA-N	1	0	317.371	-0.052	20	5		DBBDRO
C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1	ZINC000599099830	376242587	/nfs/dbraw/zinc/24/25/87/376242587.db2.gz	DJJCJIDITLSYKT-SFYZADRCSA-N	1	0	303.344	-0.301	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)n1	ZINC000599100755	376242887	/nfs/dbraw/zinc/24/28/87/376242887.db2.gz	MXVMNQFZYYKMEM-LDYMZIIASA-N	1	0	315.355	-0.170	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)n1	ZINC000599105358	376244029	/nfs/dbraw/zinc/24/40/29/376244029.db2.gz	CCPOYHZNBGQEAY-DTWKUNHWSA-N	1	0	315.355	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)n1	ZINC000599101405	376244243	/nfs/dbraw/zinc/24/42/43/376244243.db2.gz	PNBMERZVLUWUGR-UHFFFAOYSA-N	1	0	301.328	-0.560	20	5		DBBDRO
CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599109212	376246588	/nfs/dbraw/zinc/24/65/88/376246588.db2.gz	UOBFKUQFPVJJJI-MRVPVSSYSA-N	1	0	303.344	-0.314	20	5		DBBDRO
[NH3+]CCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000599110502	376247425	/nfs/dbraw/zinc/24/74/25/376247425.db2.gz	UZSPFSBCFWINKR-UHFFFAOYSA-N	1	0	304.328	-0.367	20	5		DBBDRO
CCn1cc(S(=O)(=O)NCCOCCC[NH3+])c([N+](=O)[O-])n1	ZINC000599110675	376248608	/nfs/dbraw/zinc/24/86/08/376248608.db2.gz	YVUSLVCPJUGTFX-UHFFFAOYSA-N	1	0	321.359	-0.545	20	5		DBBDRO
C[NH2+]CCOCCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000599921315	376345481	/nfs/dbraw/zinc/34/54/81/376345481.db2.gz	QUOMEEXDAONKTM-UHFFFAOYSA-N	1	0	314.346	-0.331	20	5		DBBDRO
CN(C)c1nccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000568621528	376554538	/nfs/dbraw/zinc/55/45/38/376554538.db2.gz	SKTHWUQAXMCIMN-GFCCVEGCSA-N	1	0	321.341	-0.202	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[NH2+]CCCO1	ZINC000569221206	376638096	/nfs/dbraw/zinc/63/80/96/376638096.db2.gz	JXNSLJMBLKAGMP-LLVKDONJSA-N	1	0	311.342	-0.015	20	5		DBBDRO
Cc1nn(CCC(=O)NC[C@@H]2C[NH2+]CCO2)c(C)c1[N+](=O)[O-]	ZINC000572713964	377035774	/nfs/dbraw/zinc/03/57/74/377035774.db2.gz	PAQNNSQXORNIKK-NSHDSACASA-N	1	0	311.342	-0.097	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000573712068	377108856	/nfs/dbraw/zinc/10/88/56/377108856.db2.gz	WLFGKTATNRMBRW-SECBINFHSA-N	1	0	322.321	-0.043	20	5		DBBDRO
COCCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000052719743	377248775	/nfs/dbraw/zinc/24/87/75/377248775.db2.gz	BDVHBWOORMVTOL-UHFFFAOYSA-N	1	0	323.353	-0.126	20	5		DBBDRO
Cc1ccc(NCCCNC(=O)CNC(=O)C[NH3+])c([N+](=O)[O-])c1	ZINC000262381805	377272408	/nfs/dbraw/zinc/27/24/08/377272408.db2.gz	KOHKSHHMHKOESR-UHFFFAOYSA-N	1	0	323.353	-0.104	20	5		DBBDRO
CC(CO)(CO)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000574400267	378156817	/nfs/dbraw/zinc/15/68/17/378156817.db2.gz	OLMVLCONRRZUPZ-LBPRGKRZSA-N	1	0	314.338	-0.085	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000368370866	379811308	/nfs/dbraw/zinc/81/13/08/379811308.db2.gz	RUCMETXKUWYFSY-CMPLNLGQSA-N	1	0	306.322	-0.033	20	5		DBBDRO
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC1C[NH2+]C1)OCCO2	ZINC000580430011	380265904	/nfs/dbraw/zinc/26/59/04/380265904.db2.gz	RNKWOBBEKURSJE-UHFFFAOYSA-N	1	0	315.307	-0.384	20	5		DBBDRO
CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000075721471	380373678	/nfs/dbraw/zinc/37/36/78/380373678.db2.gz	MPMONXFZGMBBHL-JQWIXIFHSA-N	1	0	311.342	-0.390	20	5		DBBDRO
C[C@@H](CS(C)(=O)=O)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075739527	380425856	/nfs/dbraw/zinc/42/58/56/380425856.db2.gz	UYFILBKRPARYCB-ONGXEEELSA-N	1	0	320.371	-0.483	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000576957947	380520110	/nfs/dbraw/zinc/52/01/10/380520110.db2.gz	XUADBUKFEJFKGS-CMPLNLGQSA-N	1	0	319.321	-0.318	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1	ZINC000270681936	381008325	/nfs/dbraw/zinc/00/83/25/381008325.db2.gz	VFJLEEHQBHVWFW-JHJVBQTASA-N	1	0	312.322	-0.238	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+](CCO)CCO)c1	ZINC000298669228	382358215	/nfs/dbraw/zinc/35/82/15/382358215.db2.gz	IUIYMVYJGIOYKA-LBPRGKRZSA-N	1	0	300.311	-0.379	20	5		DBBDRO
C[C@@H](C[NH3+])NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000420032714	382504973	/nfs/dbraw/zinc/50/49/73/382504973.db2.gz	UQJNZSLXZTWCKN-VIFPVBQESA-N	1	0	322.321	-0.352	20	5		DBBDRO
C[C@H](C[NH3+])NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000420016658	382505274	/nfs/dbraw/zinc/50/52/74/382505274.db2.gz	SVEIHOUOVUMDID-SECBINFHSA-N	1	0	306.322	-0.057	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000357261933	382645242	/nfs/dbraw/zinc/64/52/42/382645242.db2.gz	UYIQSARWKHAHHV-LBPRGKRZSA-N	1	0	322.369	-0.394	20	5		DBBDRO
C[C@@H](CCN1CCOCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000358045472	382646137	/nfs/dbraw/zinc/64/61/37/382646137.db2.gz	NWXIXFPZXJWSOM-JTQLQIEISA-N	1	0	312.330	-0.587	20	5		DBBDRO
C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC000171135420	382647824	/nfs/dbraw/zinc/64/78/24/382647824.db2.gz	ISJLOJVAJQPXEX-LLVKDONJSA-N	1	0	310.358	-0.457	20	5		DBBDRO
Cn1cc(CN2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])n1	ZINC000602483092	382639334	/nfs/dbraw/zinc/63/93/34/382639334.db2.gz	ISMZEKWOBFTCEL-UHFFFAOYSA-N	1	0	304.310	-0.020	20	5		DBBDRO
Cn1cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])n1	ZINC000602699918	382639874	/nfs/dbraw/zinc/63/98/74/382639874.db2.gz	PLKXFBWIVVCOTP-UHFFFAOYSA-N	1	0	310.358	-0.466	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000174203744	382694480	/nfs/dbraw/zinc/69/44/80/382694480.db2.gz	GBCHVWGDUXXSBS-LBPRGKRZSA-N	1	0	323.353	-0.028	20	5		DBBDRO
Cc1nn(CCC(=O)N2CCO[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-]	ZINC000274848884	130267650	/nfs/dbraw/zinc/26/76/50/130267650.db2.gz	YBLFWBOGCCDFBU-LLVKDONJSA-N	1	0	311.342	-0.016	20	5		DBBDRO
C[NH2+][C@@H](C)CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000418926672	392139704	/nfs/dbraw/zinc/13/97/04/392139704.db2.gz	VPYSTHCQYRQPGW-JTQLQIEISA-N	1	0	308.338	-0.022	20	5		DBBDRO
C[NH2+][C@H](C)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000418863987	392139889	/nfs/dbraw/zinc/13/98/89/392139889.db2.gz	HTWKWSXWYSNAOO-SNVBAGLBSA-N	1	0	308.338	-0.022	20	5		DBBDRO
CO[C@H](C[NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000353478227	392160541	/nfs/dbraw/zinc/16/05/41/392160541.db2.gz	FBTJUZVHBZGLHQ-GXSJLCMTSA-N	1	0	309.326	-0.024	20	5		DBBDRO
C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173502692	392164159	/nfs/dbraw/zinc/16/41/59/392164159.db2.gz	MQDYLVMANYATSG-NSHDSACASA-N	1	0	313.358	-0.001	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000289319831	131373251	/nfs/dbraw/zinc/37/32/51/131373251.db2.gz	UNGLYDAZPJJAGY-NSHDSACASA-N	1	0	308.342	-0.703	20	5		DBBDRO
O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000552026425	392511071	/nfs/dbraw/zinc/51/10/71/392511071.db2.gz	NLXGXZOHYKFVKF-CQSZACIVSA-N	1	0	322.321	-0.118	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CC[NH2+]C2)cc1	ZINC000415073355	393473426	/nfs/dbraw/zinc/47/34/26/393473426.db2.gz	AXWFPODPCZXXKS-SNVBAGLBSA-N	1	0	314.367	-0.175	20	5		DBBDRO
CNc1nccc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-]	ZINC000584240822	412338584	/nfs/dbraw/zinc/33/85/84/412338584.db2.gz	SOGDAMHVKGRMLY-SNVBAGLBSA-N	1	0	323.353	0.482	20	5		DBBDRO
Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000361087302	418942046	/nfs/dbraw/zinc/94/20/46/418942046.db2.gz	RRDVUKFGJQXKSY-NSHDSACASA-N	1	0	324.337	-0.120	20	5		DBBDRO
CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000430270394	266002752	/nfs/dbraw/zinc/00/27/52/266002752.db2.gz	BOBYIMXMMZZHIA-YPMHNXCESA-N	1	0	311.342	-0.390	20	5		DBBDRO
CNc1nc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-]	ZINC000456076635	266145882	/nfs/dbraw/zinc/14/58/82/266145882.db2.gz	YUDGUWJJBTZXOK-CYBMUJFWSA-N	1	0	309.326	-0.172	20	5		DBBDRO
O=C1OCCN1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000496229157	266229578	/nfs/dbraw/zinc/22/95/78/266229578.db2.gz	QOYPANHRKHNZRK-LLVKDONJSA-N	1	0	313.314	-0.416	20	5		DBBDRO
COC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000514788372	266264897	/nfs/dbraw/zinc/26/48/97/266264897.db2.gz	PCQUDFPVRRSRSR-LLVKDONJSA-N	1	0	318.351	-0.035	20	5		DBBDRO
COCCN1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515166127	266268941	/nfs/dbraw/zinc/26/89/41/266268941.db2.gz	AGQBJONZIZXYQE-YPMHNXCESA-N	1	0	313.358	-0.538	20	5		DBBDRO
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000238006964	280148834	/nfs/dbraw/zinc/14/88/34/280148834.db2.gz	YNBFIXVTLPLOBB-VXGBXAGGSA-N	1	0	320.349	-0.034	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1	ZINC000353457155	281628383	/nfs/dbraw/zinc/62/83/83/281628383.db2.gz	QXANGZLNPWTYEJ-MRVPVSSYSA-N	1	0	303.344	-0.077	20	5		DBBDRO
O=C(Cc1cccc([N+](=O)[O-])c1)NCC(=O)N1CC[NH2+]CC1	ZINC000388483640	333314214	/nfs/dbraw/zinc/31/42/14/333314214.db2.gz	BPLSYTSZFBEBLU-UHFFFAOYSA-N	1	0	306.322	-0.315	20	5		DBBDRO
CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O	ZINC000582556733	337109026	/nfs/dbraw/zinc/10/90/26/337109026.db2.gz	OQZCJUCVALEQKG-SNVBAGLBSA-N	1	0	313.310	-0.144	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000582976569	337225303	/nfs/dbraw/zinc/22/53/03/337225303.db2.gz	XMPWGRYERBKBAG-RYUDHWBXSA-N	1	0	304.306	-0.021	20	5		DBBDRO
C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)NCC[NH+](C)C	ZINC000566464942	341558830	/nfs/dbraw/zinc/55/88/30/341558830.db2.gz	SANYYJCSEYHATC-QMMMGPOBSA-N	1	0	324.341	-0.632	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1	ZINC000346070414	523443779	/nfs/dbraw/zinc/44/37/79/523443779.db2.gz	MOWYWBGWKFOUSO-MRVPVSSYSA-N	1	0	303.344	-0.077	20	5		DBBDRO
COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266561594	523501651	/nfs/dbraw/zinc/50/16/51/523501651.db2.gz	XZLRYGNWQRYWDP-ONGXEEELSA-N	1	0	300.315	-0.107	20	5		DBBDRO
C[NH+](C)C1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000177150175	524039796	/nfs/dbraw/zinc/03/97/96/524039796.db2.gz	MFMWRAWMXKKPJA-UHFFFAOYSA-N	1	0	324.385	-0.067	20	5		DBBDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1	ZINC000347133077	524790346	/nfs/dbraw/zinc/79/03/46/524790346.db2.gz	NDBAUKRVYJYMKO-JTQLQIEISA-N	1	0	311.342	-0.143	20	5		DBBDRO
O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000237956616	526491519	/nfs/dbraw/zinc/49/15/19/526491519.db2.gz	AJNUGMZCYOQZGG-PWSUYJOCSA-N	1	0	321.337	-0.009	20	5		DBBDRO
NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248391544	526962672	/nfs/dbraw/zinc/96/26/72/526962672.db2.gz	DCGSGJAHPWZXAM-QJPTWQEYSA-N	1	0	311.342	-0.214	20	5		DBBDRO
COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000736969595	598914557	/nfs/dbraw/zinc/91/45/57/598914557.db2.gz	WXFARWSFMXJWEN-LLVKDONJSA-N	1	0	308.302	-0.054	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)CC[N@@H+](C)CC1	ZINC000888993782	665890197	/nfs/dbraw/zinc/89/01/97/665890197.db2.gz	GXODVZIVCOHGBY-UHFFFAOYSA-N	1	0	324.385	-0.194	20	5		DBBDRO
Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001022064097	664204967	/nfs/dbraw/zinc/20/49/67/664204967.db2.gz	WHVKUEUISZAZOC-YVECIDJPSA-N	1	0	322.369	-0.203	20	5		DBBDRO
O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001022065448	664205516	/nfs/dbraw/zinc/20/55/16/664205516.db2.gz	XILIODUXIWGKGE-LMLFDSFASA-N	1	0	324.337	-0.963	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000933389353	664215843	/nfs/dbraw/zinc/21/58/43/664215843.db2.gz	ZGMXUEVVKVSZNB-CMPLNLGQSA-N	1	0	324.385	-0.150	20	5		DBBDRO
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896571260	671413446	/nfs/dbraw/zinc/41/34/46/671413446.db2.gz	PJADXXSQYCCUFL-MNOVXSKESA-N	1	0	310.358	-0.458	20	5		DBBDRO
O=C(NCC1C[NH+](CCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001031660812	677493769	/nfs/dbraw/zinc/49/37/69/677493769.db2.gz	SSOCUPFSPGTFLN-VXGBXAGGSA-N	1	0	310.354	-0.678	20	5		DBBDRO
Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1	ZINC000996429736	678247529	/nfs/dbraw/zinc/24/75/29/678247529.db2.gz	VLZLIPFQROOUGY-VXGBXAGGSA-N	1	0	308.342	-0.439	20	5		DBBDRO
Cn1nncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000997772211	678509372	/nfs/dbraw/zinc/50/93/72/678509372.db2.gz	MFHZVPCRQOGLBQ-CHWSQXEVSA-N	1	0	322.369	-0.192	20	5		DBBDRO
C[NH+](C)C1(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1	ZINC001001809201	678959988	/nfs/dbraw/zinc/95/99/88/678959988.db2.gz	BAYCEIHKLRCVLT-VXGBXAGGSA-N	1	0	324.381	-0.290	20	5		DBBDRO
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)cc1	ZINC000843117615	805609480	/nfs/dbraw/zinc/60/94/80/805609480.db2.gz	QUQBVZPQPPBEHV-QWHCGFSZSA-N	1	0	307.310	-0.130	20	5		DBBDRO
C[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC001299190318	805868820	/nfs/dbraw/zinc/86/88/20/805868820.db2.gz	QNPOGTZTIRCIOA-VXGBXAGGSA-N	1	0	324.381	-0.242	20	5		DBBDRO
Cc1nc([N+](=O)[O-])c(-c2noc(-c3cn(CC[NH3+])nn3)n2)n1C	ZINC000854152973	806027572	/nfs/dbraw/zinc/02/75/72/806027572.db2.gz	AHUUZPZEJWZBOV-UHFFFAOYSA-N	1	0	319.285	-0.096	20	5		DBBDRO
O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000863317083	806352498	/nfs/dbraw/zinc/35/24/98/806352498.db2.gz	JHBDYWBORGCNJP-CHWSQXEVSA-N	1	0	309.322	-0.189	20	5		DBBDRO
CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000863586464	806366043	/nfs/dbraw/zinc/36/60/43/806366043.db2.gz	ATXDBDIWCLGCDL-WPRPVWTQSA-N	1	0	301.303	-0.850	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC001324195930	806951004	/nfs/dbraw/zinc/95/10/04/806951004.db2.gz	RTHZZHUPENVYBW-ZYHUDNBSSA-N	1	0	307.314	-0.309	20	5		DBBDRO
O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262333628	803832315	/nfs/dbraw/zinc/83/23/15/803832315.db2.gz	FHIPJRSCIQJZPD-WCQGTBRESA-N	1	0	321.337	-0.275	20	5		DBBDRO
CCN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001280814998	804021144	/nfs/dbraw/zinc/02/11/44/804021144.db2.gz	WWQPBQURQFXTLZ-VXGBXAGGSA-N	1	0	314.386	-0.090	20	5		DBBDRO
CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC001284176785	804652172	/nfs/dbraw/zinc/65/21/72/804652172.db2.gz	VQSUJBPEKWVGGY-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N	ZINC000808173438	804950233	/nfs/dbraw/zinc/95/02/33/804950233.db2.gz	ISLDLTYYEOJYGL-ZETCQYMHSA-N	1	0	300.290	-0.032	20	5		DBBDRO
CS(=O)(=O)NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000818947728	805117930	/nfs/dbraw/zinc/11/79/30/805117930.db2.gz	HRSLNLANKLUNNX-LLVKDONJSA-N	1	0	303.340	-0.233	20	5		DBBDRO
Cc1ncccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001326024307	807134680	/nfs/dbraw/zinc/13/46/80/807134680.db2.gz	SSCKOYVJYVQILT-ZIAGYGMSSA-N	1	0	322.365	-0.034	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1	ZINC001326520126	807189295	/nfs/dbraw/zinc/18/92/95/807189295.db2.gz	VPZCPMJTEQEIBU-UHTWSYAYSA-N	1	0	314.342	-0.471	20	5		DBBDRO
O=c1ccn(Cc2nc(N3CC[NH2+]CC3)no2)cc1[N+](=O)[O-]	ZINC001328046499	807371438	/nfs/dbraw/zinc/37/14/38/807371438.db2.gz	MPQVAELUQNMLTO-UHFFFAOYSA-N	1	0	306.282	-0.403	20	5		DBBDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC	ZINC001328352650	807415355	/nfs/dbraw/zinc/41/53/55/807415355.db2.gz	WWTYNGVCMRNJGW-SECBINFHSA-N	1	0	324.337	-0.056	20	5		DBBDRO
C[NH+](C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCOCC1	ZINC001328355730	807416552	/nfs/dbraw/zinc/41/65/52/807416552.db2.gz	LYDIPTUVKCLWJC-UHFFFAOYSA-N	1	0	312.330	-0.587	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(CO)COC1	ZINC001328400259	807422332	/nfs/dbraw/zinc/42/23/32/807422332.db2.gz	FYGWPDJJFBCKSJ-NSHDSACASA-N	1	0	312.322	-0.067	20	5		DBBDRO
O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC001329069180	807514806	/nfs/dbraw/zinc/51/48/06/807514806.db2.gz	KAEMRZJJRHYQCT-LLVKDONJSA-N	1	0	322.321	-0.684	20	5		DBBDRO
[NH3+]C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1	ZINC001329413535	807561691	/nfs/dbraw/zinc/56/16/91/807561691.db2.gz	HAKFZNZCCFOPTN-MRVPVSSYSA-N	1	0	302.312	-0.662	20	5		DBBDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001330521312	807728023	/nfs/dbraw/zinc/72/80/23/807728023.db2.gz	VYPBYOOUQFGKKV-JTQLQIEISA-N	1	0	324.337	-0.186	20	5		DBBDRO
CC(C)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001330595194	807737445	/nfs/dbraw/zinc/73/74/45/807737445.db2.gz	RWBJKEKVGXQJLK-DDHJBXDOSA-N	1	0	312.370	-0.339	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001331730164	807822369	/nfs/dbraw/zinc/82/23/69/807822369.db2.gz	JUIOOAPQALORFC-NXEZZACHSA-N	1	0	309.326	-0.391	20	5		DBBDRO
CCc1n[nH]c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-]	ZINC001333282244	808038208	/nfs/dbraw/zinc/03/82/08/808038208.db2.gz	NIOZVAKOKFFAIT-UHFFFAOYSA-N	1	0	322.369	-0.048	20	5		DBBDRO
CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001333536800	808072766	/nfs/dbraw/zinc/07/27/66/808072766.db2.gz	SJHNSXIYPVEEDL-UHFFFAOYSA-N	1	0	312.330	-0.897	20	5		DBBDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1	ZINC001334933985	808214132	/nfs/dbraw/zinc/21/41/32/808214132.db2.gz	LCUOOLXRISZJNH-CBAPKCEASA-N	1	0	319.343	-0.935	20	5		DBBDRO
CN(C1CC[NH2+]CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001334932267	808214174	/nfs/dbraw/zinc/21/41/74/808214174.db2.gz	AWNVIFZROIPCEK-UHFFFAOYSA-N	1	0	303.344	-0.299	20	5		DBBDRO
COc1ncc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001335896229	808328913	/nfs/dbraw/zinc/32/89/13/808328913.db2.gz	DXOOWNZASBMVAE-LBPRGKRZSA-N	1	0	322.325	-0.217	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CCO)CCO2	ZINC000949366174	808445188	/nfs/dbraw/zinc/44/51/88/808445188.db2.gz	XCAPZRNKTOCXBU-VXGBXAGGSA-N	1	0	313.354	-0.663	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[NH+]2CCC1CC2	ZINC001337424719	808453806	/nfs/dbraw/zinc/45/38/06/808453806.db2.gz	NHGITDZUVYSPKA-LBPRGKRZSA-N	1	0	306.322	-0.033	20	5		DBBDRO
CC[C@@H](C)[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)NCCN1CCOCC1	ZINC001338463285	808545799	/nfs/dbraw/zinc/54/57/99/808545799.db2.gz	VRMQGSGHJVKMSV-CHWSQXEVSA-N	1	0	316.402	-0.284	20	5		DBBDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1[NH2+]CC12CCOCC2	ZINC001340526318	808641395	/nfs/dbraw/zinc/64/13/95/808641395.db2.gz	CLKDHDFPODUBLG-LLVKDONJSA-N	1	0	309.326	-0.324	20	5		DBBDRO
C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C[NH+]1CCN(C)CC1	ZINC001341457235	808685867	/nfs/dbraw/zinc/68/58/67/808685867.db2.gz	VGVMATLEBZFLJA-LLVKDONJSA-N	1	0	324.385	-0.058	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)CC(N)=O)CC1	ZINC000990423893	811629551	/nfs/dbraw/zinc/62/95/51/811629551.db2.gz	QZKGXBVMQIMMNJ-UHFFFAOYSA-N	1	0	324.341	-0.716	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001011112849	812844168	/nfs/dbraw/zinc/84/41/68/812844168.db2.gz	QNPZEQBMSUXZEA-VXGBXAGGSA-N	1	0	322.365	-0.582	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001020341050	814357068	/nfs/dbraw/zinc/35/70/68/814357068.db2.gz	KOAYJWIDXSYFRN-ZKCHVHJHSA-N	1	0	320.313	-0.503	20	5		DBBDRO
CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(=O)N2CCC2)CC1	ZINC001045436424	816631923	/nfs/dbraw/zinc/63/19/23/816631923.db2.gz	RAIOCUNGBSCWHA-VXGBXAGGSA-N	1	0	324.381	-0.145	20	5		DBBDRO
C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001064362955	819690561	/nfs/dbraw/zinc/69/05/61/819690561.db2.gz	AJELQGNEZHCJGZ-GHMZBOCLSA-N	1	0	312.370	-0.242	20	5		DBBDRO
CCN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001079806843	823968365	/nfs/dbraw/zinc/96/83/65/823968365.db2.gz	ABOGQVGESSYVKF-CHWSQXEVSA-N	1	0	324.381	-0.193	20	5		DBBDRO
CCn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001086082997	825175283	/nfs/dbraw/zinc/17/52/83/825175283.db2.gz	KIQLQCMIHQIOSJ-LYIQGSDWSA-N	1	0	322.369	-0.052	20	5		DBBDRO
Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363375	825243596	/nfs/dbraw/zinc/24/35/96/825243596.db2.gz	QLCICMKTXVWAJV-CNVPUSNMSA-N	1	0	308.342	-0.535	20	5		DBBDRO
CC(C)N(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001274014651	833005882	/nfs/dbraw/zinc/00/58/82/833005882.db2.gz	BGRMBDQYWLTDRK-GKUNOOHESA-N	1	0	312.370	-0.220	20	5		DBBDRO
CCn1nncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001274016506	833007464	/nfs/dbraw/zinc/00/74/64/833007464.db2.gz	NWUMJASTGHFWAL-OPVGQWETSA-N	1	0	308.342	-0.275	20	5		DBBDRO
C[NH+](C)CCCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001094094170	826195564	/nfs/dbraw/zinc/19/55/64/826195564.db2.gz	KFFOJCQEFGWUOK-UHFFFAOYSA-N	1	0	311.346	-0.163	20	5		DBBDRO
CC1([NH2+]CC(=O)NC2CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001274333586	833064066	/nfs/dbraw/zinc/06/40/66/833064066.db2.gz	WBOHUJQKJPRSSS-VXGBXAGGSA-N	1	0	324.381	-0.099	20	5		DBBDRO
CS(=O)(=O)N(CC[NH3+])c1ncnc2[nH]cc([N+](=O)[O-])c21	ZINC001162124368	833075306	/nfs/dbraw/zinc/07/53/06/833075306.db2.gz	VLDSHCSFAKHNLK-UHFFFAOYSA-N	1	0	300.300	-0.409	20	5		DBBDRO
COC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)n1)C(C)(C)[NH3+]	ZINC001162941369	833124155	/nfs/dbraw/zinc/12/41/55/833124155.db2.gz	JQMNHFBICYBLST-SECBINFHSA-N	1	0	311.298	-0.221	20	5		DBBDRO
Cn1cc(NCc2nnn3c2C[NH2+]CCC3)cc([N+](=O)[O-])c1=O	ZINC001162971750	833125218	/nfs/dbraw/zinc/12/52/18/833125218.db2.gz	NCPRLNCJTPFJAR-UHFFFAOYSA-N	1	0	319.325	-0.010	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)N1	ZINC001163254435	833143022	/nfs/dbraw/zinc/14/30/22/833143022.db2.gz	NNOHVECNRVUTCH-IINYFYTJSA-N	1	0	317.305	-0.172	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])ncc1N[C@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001163255259	833143579	/nfs/dbraw/zinc/14/35/79/833143579.db2.gz	UUFOBGAVTPJQAS-ZANVPECISA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)N1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001163687708	833162877	/nfs/dbraw/zinc/16/28/77/833162877.db2.gz	PQLCFCBNECFIAN-UHFFFAOYSA-N	1	0	322.325	-0.040	20	5		DBBDRO
CN(c1ccc([N+](=O)[O-])c2c1CNC2=O)S(=O)(=O)CC[NH3+]	ZINC001164300550	833203497	/nfs/dbraw/zinc/20/34/97/833203497.db2.gz	SFNAAPZEGUACLI-UHFFFAOYSA-N	1	0	314.323	-0.437	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001164268667	833198940	/nfs/dbraw/zinc/19/89/40/833198940.db2.gz	PAXFNNNUMUGCRX-IAZYJMLFSA-N	1	0	323.353	-0.183	20	5		DBBDRO
COc1nc(N2CCOCC23C[NH2+]C3)nc(OC)c1[N+](=O)[O-]	ZINC001165285955	833235871	/nfs/dbraw/zinc/23/58/71/833235871.db2.gz	KFWGVUSQYOMZQY-UHFFFAOYSA-N	1	0	311.298	-0.419	20	5		DBBDRO
O=C1NCCN(c2ncnc3cccc([N+](=O)[O-])c32)C12C[NH2+]C2	ZINC001165300867	833239145	/nfs/dbraw/zinc/23/91/45/833239145.db2.gz	MECUJGDNFZXBNT-UHFFFAOYSA-N	1	0	314.305	-0.184	20	5		DBBDRO
O=C1NCCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C12C[NH2+]C2	ZINC001165302528	833239594	/nfs/dbraw/zinc/23/95/94/833239594.db2.gz	RCYQBGYVDBPLHV-UHFFFAOYSA-N	1	0	302.294	-0.251	20	5		DBBDRO
O=C1NCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C12C[NH2+]C2	ZINC001165302175	833240200	/nfs/dbraw/zinc/24/02/00/833240200.db2.gz	KVFCDMYDTBHYBX-UHFFFAOYSA-N	1	0	313.701	-0.840	20	5		DBBDRO
COC(=O)c1ccnc(N2CC[NH2+]C[C@@H]2C(=O)OC)c1[N+](=O)[O-]	ZINC001165440228	833246101	/nfs/dbraw/zinc/24/61/01/833246101.db2.gz	XZCZCKHVAZWDHB-SECBINFHSA-N	1	0	324.293	-0.272	20	5		DBBDRO
C[C@H]1C(=O)NCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001166557183	833274165	/nfs/dbraw/zinc/27/41/65/833274165.db2.gz	FGSPOKSXFBYYJS-VIFPVBQESA-N	1	0	321.341	-0.881	20	5		DBBDRO
COC(=O)C1(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[NH2+]CC1	ZINC001166947840	833286507	/nfs/dbraw/zinc/28/65/07/833286507.db2.gz	RZUGQNHNGXZHLW-UHFFFAOYSA-N	1	0	323.309	-0.204	20	5		DBBDRO
CS(=O)(=O)N(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C1C[NH2+]C1	ZINC001166969840	833288245	/nfs/dbraw/zinc/28/82/45/833288245.db2.gz	YOCOOUKYWYBVNY-UHFFFAOYSA-N	1	0	322.730	-0.381	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)cc1OC	ZINC001167791809	833310379	/nfs/dbraw/zinc/31/03/79/833310379.db2.gz	LJUOSSFIXNKNLS-UHFFFAOYSA-N	1	0	322.281	-0.133	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1	ZINC001116419594	828893651	/nfs/dbraw/zinc/89/36/51/828893651.db2.gz	BMWQNSODRQKJIE-ZJUUUORDSA-N	1	0	309.326	-0.079	20	5		DBBDRO
CCOC(=O)COc1ncc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-]	ZINC001168919985	833330958	/nfs/dbraw/zinc/33/09/58/833330958.db2.gz	GPTCLDIMEKXDJH-UHFFFAOYSA-N	1	0	323.269	-0.634	20	5		DBBDRO
O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)C1	ZINC001168987805	833332163	/nfs/dbraw/zinc/33/21/63/833332163.db2.gz	KHUYIDWCDXXKRW-NWDGAFQWSA-N	1	0	305.400	-0.248	20	5		DBBDRO
[NH3+][C@@H](CO)Cc1cncn1-c1ncnc2[nH]cc([N+](=O)[O-])c21	ZINC001169072282	833333933	/nfs/dbraw/zinc/33/39/33/833333933.db2.gz	QEPWGZIDOJRUBR-SSDOTTSWSA-N	1	0	303.282	-0.086	20	5		DBBDRO
C[NH+](C)CCOc1cc(N[C@H](CO)C(N)=O)ccc1[N+](=O)[O-]	ZINC001169331585	833339024	/nfs/dbraw/zinc/33/90/24/833339024.db2.gz	KBBRLDNXDPUVAW-SNVBAGLBSA-N	1	0	312.326	-0.207	20	5		DBBDRO
O=[N+]([O-])c1c(NC[C@H]2COCC[NH2+]2)ncnc1N1CCOCC1	ZINC001170042171	833348163	/nfs/dbraw/zinc/34/81/63/833348163.db2.gz	OBOGGIHIYHJADD-JTQLQIEISA-N	1	0	324.341	-0.378	20	5		DBBDRO
Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001170340722	833350999	/nfs/dbraw/zinc/35/09/99/833350999.db2.gz	RSNCDURSXONCQO-UHFFFAOYSA-N	1	0	306.282	-0.210	20	5		DBBDRO
COc1ccc(C[C@@H](C)[NH2+]CC(=O)NCC(N)=O)c([N+](=O)[O-])c1	ZINC001170326383	833351081	/nfs/dbraw/zinc/35/10/81/833351081.db2.gz	ILYSVMNMUPYULU-SECBINFHSA-N	1	0	324.337	-0.275	20	5		DBBDRO
CCOC(=O)CN(CC[NH3+])c1c(F)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001170992764	833363465	/nfs/dbraw/zinc/36/34/65/833363465.db2.gz	QRFDQKXUOIWSFY-UHFFFAOYSA-N	1	0	302.262	-0.305	20	5		DBBDRO
C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+]	ZINC001118866169	829142592	/nfs/dbraw/zinc/14/25/92/829142592.db2.gz	WTQOHTKHJSGBSN-SFYZADRCSA-N	1	0	303.344	-0.314	20	5		DBBDRO
CS(=O)(=O)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001124355167	829742182	/nfs/dbraw/zinc/74/21/82/829742182.db2.gz	BQKBZMQBEFBIDU-UHFFFAOYSA-N	1	0	315.351	-0.155	20	5		DBBDRO
NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	ZINC001126943521	829971215	/nfs/dbraw/zinc/97/12/15/829971215.db2.gz	PVCCXQUMVKPWBY-VXGBXAGGSA-N	1	0	306.322	-0.344	20	5		DBBDRO
CCO[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+](C)C	ZINC001133571570	830789285	/nfs/dbraw/zinc/78/92/85/830789285.db2.gz	HECMHTDDVXXXAI-VIFPVBQESA-N	1	0	300.319	-0.731	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCC(O)CC1	ZINC001140920752	831188698	/nfs/dbraw/zinc/18/86/98/831188698.db2.gz	GFWHWJZVRDDAMR-UHFFFAOYSA-N	1	0	311.342	-0.246	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC001146376789	831277659	/nfs/dbraw/zinc/27/76/59/831277659.db2.gz	MLYGGBAHXBVSGX-ZIAGYGMSSA-N	1	0	322.365	-0.010	20	5		DBBDRO
CC[N@H+](C)CCC(=O)NCCNCc1c([N+](=O)[O-])ncn1C	ZINC001146719280	831291962	/nfs/dbraw/zinc/29/19/62/831291962.db2.gz	OCYZQVALACTHQY-UHFFFAOYSA-N	1	0	312.374	-0.124	20	5		DBBDRO
NC(=O)NCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001150414536	831614457	/nfs/dbraw/zinc/61/44/57/831614457.db2.gz	MYPWOINBUUQGMM-UHFFFAOYSA-N	1	0	309.326	-0.141	20	5		DBBDRO
O=C(Cn1cnnn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001154499398	831883587	/nfs/dbraw/zinc/88/35/87/831883587.db2.gz	NEMCSQKISBWRBO-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccn[nH]1	ZINC001154886902	831904533	/nfs/dbraw/zinc/90/45/33/831904533.db2.gz	UDDNUSIICHVEPF-UHFFFAOYSA-N	1	0	307.314	-0.039	20	5		DBBDRO
COC(=O)[C@H]([NH3+])C1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1	ZINC001155154617	831920319	/nfs/dbraw/zinc/92/03/19/831920319.db2.gz	QRIAVJLYBDTXIP-GFCCVEGCSA-N	1	0	310.310	-0.055	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1	ZINC001155582141	831941527	/nfs/dbraw/zinc/94/15/27/831941527.db2.gz	ZCEPYBPIZLLESZ-NOZJJQNGSA-N	1	0	321.293	-0.234	20	5		DBBDRO
O=C1CC[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])N1	ZINC001156142351	831970492	/nfs/dbraw/zinc/97/04/92/831970492.db2.gz	IRVUGKGGMVCQRR-SECBINFHSA-N	1	0	321.341	-0.515	20	5		DBBDRO
CN(C)/C=C/c1cc(-n2nnc(CC[NH3+])n2)ncc1[N+](=O)[O-]	ZINC001156989550	832013451	/nfs/dbraw/zinc/01/34/51/832013451.db2.gz	ZQMNTFYTKODOKT-GQCTYLIASA-N	1	0	304.314	-0.001	20	5		DBBDRO
CCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157774858	832062735	/nfs/dbraw/zinc/06/27/35/832062735.db2.gz	DNNHDQVLTMPPAW-GHMZBOCLSA-N	1	0	321.399	-0.428	20	5		DBBDRO
COC(=O)c1nc(Cl)nc(-n2nnnc2C[NH3+])c1[N+](=O)[O-]	ZINC001158074641	832087400	/nfs/dbraw/zinc/08/74/00/832087400.db2.gz	GZXHOJTVJPEPNA-UHFFFAOYSA-N	1	0	314.649	-0.741	20	5		DBBDRO
Cc1cc(N)n(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(=O)c1	ZINC001158419316	832109977	/nfs/dbraw/zinc/10/99/77/832109977.db2.gz	FYTPQPWVFLOBPQ-UHFFFAOYSA-N	1	0	317.309	-0.001	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001158509606	832119933	/nfs/dbraw/zinc/11/99/33/832119933.db2.gz	XHAVOOLPMFULMG-STQMWFEESA-N	1	0	323.353	-0.151	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cn1nccn1	ZINC001158922613	832144921	/nfs/dbraw/zinc/14/49/21/832144921.db2.gz	YKKWZIUPPYVYHM-UHFFFAOYSA-N	1	0	322.329	-0.784	20	5		DBBDRO
CC(=O)N1CC(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001159928531	832859031	/nfs/dbraw/zinc/85/90/31/832859031.db2.gz	LTDHQCVZTZEGDE-UHFFFAOYSA-N	1	0	321.341	-0.563	20	5		DBBDRO
CN(CCC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001273507583	832933109	/nfs/dbraw/zinc/93/31/09/832933109.db2.gz	FVXKRDJLROIYEM-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC001251748729	834505021	/nfs/dbraw/zinc/50/50/21/834505021.db2.gz	GEFYSODHIKERJW-GFCCVEGCSA-N	1	0	324.385	-0.148	20	5		DBBDRO
C[C@@H]1C[N@H+](CCO)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001195094898	834656756	/nfs/dbraw/zinc/65/67/56/834656756.db2.gz	WZKIRDXZXBJSHD-DGCLKSJQSA-N	1	0	313.358	-0.849	20	5		DBBDRO
C[C@H]([NH3+])CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001261378098	834780675	/nfs/dbraw/zinc/78/06/75/834780675.db2.gz	OMGZDNMLSLGFBE-VIFPVBQESA-N	1	0	310.310	-0.447	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c1	ZINC001261436953	834784420	/nfs/dbraw/zinc/78/44/20/834784420.db2.gz	PSFHDXLJKZNTFK-CMPLNLGQSA-N	1	0	306.326	-0.047	20	5		DBBDRO
CN1CC[NH+](CC2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1	ZINC001261742901	834843273	/nfs/dbraw/zinc/84/32/73/834843273.db2.gz	JVJMIVIDDGJDIB-UHFFFAOYSA-N	1	0	308.342	-0.363	20	5		DBBDRO
CN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001205223808	835338075	/nfs/dbraw/zinc/33/80/75/835338075.db2.gz	ISYOHUKXCGRROS-VXGBXAGGSA-N	1	0	312.370	-0.432	20	5		DBBDRO
CC(C)(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001266591314	835342363	/nfs/dbraw/zinc/34/23/63/835342363.db2.gz	GOKFZQSSWXGOCM-GWOFURMSSA-N	1	0	312.370	-0.197	20	5		DBBDRO
CN(CC[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001267371727	835495709	/nfs/dbraw/zinc/49/57/09/835495709.db2.gz	RXQXMAMUVJCGHT-CHWSQXEVSA-N	1	0	320.349	-0.001	20	5		DBBDRO
C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001528038125	1014339916	/nfs/dbraw/zinc/33/99/16/1014339916.db2.gz	UUDVNNSHYCEMSD-JQWIXIFHSA-N	1	0	308.342	-0.704	20	5		DBBDRO
O=C(NCC1(N2CCOCC2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001528290103	1014386794	/nfs/dbraw/zinc/38/67/94/1014386794.db2.gz	XPHWZKQVPRUDSJ-VXGBXAGGSA-N	1	0	313.354	-0.351	20	5		DBBDRO
COC(=O)c1cnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cn1	ZINC001223046576	979536167	/nfs/dbraw/zinc/53/61/67/979536167.db2.gz	SIRPQYXVPVZJFH-LLVKDONJSA-N	1	0	312.346	-0.236	20	5		DBBDRO
COC(=O)[C@@H](CCOC(=O)C[C@@H](O)C[N+](C)(C)C)OC(C)=O	ZINC001224838192	979588124	/nfs/dbraw/zinc/58/81/24/979588124.db2.gz	UFDFIACOQRGIFL-VXGBXAGGSA-N	1	0	320.362	-0.518	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001327130115	979792556	/nfs/dbraw/zinc/79/25/56/979792556.db2.gz	WYQSMBQLIOMKEO-VHSXEESVSA-N	1	0	309.326	-0.472	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c1	ZINC001331972058	979900228	/nfs/dbraw/zinc/90/02/28/979900228.db2.gz	PKKJFUQTACQIFY-KOLCDFICSA-N	1	0	322.329	-0.867	20	5		DBBDRO
C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC001343180069	979924777	/nfs/dbraw/zinc/92/47/77/979924777.db2.gz	BJCRUVTZUGCONN-SNVBAGLBSA-N	1	0	324.341	-0.882	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC2(C[NH2+]C2)CC1	ZINC001343946570	979972078	/nfs/dbraw/zinc/97/20/78/979972078.db2.gz	USRICHBNLLTJRT-UHFFFAOYSA-N	1	0	306.322	-0.032	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC001349138221	980415397	/nfs/dbraw/zinc/41/53/97/980415397.db2.gz	PHRWXTCNGUCVAX-VIFPVBQESA-N	1	0	324.341	-0.745	20	5		DBBDRO
C[NH+](C)CCn1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1	ZINC001349522805	980482087	/nfs/dbraw/zinc/48/20/87/980482087.db2.gz	WQBPUCFQVWPNDV-UHFFFAOYSA-N	1	0	308.302	-0.417	20	5		DBBDRO
O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C1	ZINC001351545579	980665129	/nfs/dbraw/zinc/66/51/29/980665129.db2.gz	LSLPHKLXLSDMRT-LLVKDONJSA-N	1	0	306.322	-0.268	20	5		DBBDRO
O=C(NCCO)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1	ZINC001352899994	980761104	/nfs/dbraw/zinc/76/11/04/980761104.db2.gz	VRMDZKTYZVWINJ-UHFFFAOYSA-N	1	0	311.342	-0.388	20	5		DBBDRO
C[NH+](C)C1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1	ZINC001353607428	980811206	/nfs/dbraw/zinc/81/12/06/980811206.db2.gz	MPXCBLIBFQDLMS-DDHJBXDOSA-N	1	0	324.381	-0.101	20	5		DBBDRO
O=C(CCn1ccnc1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001356823999	980995709	/nfs/dbraw/zinc/99/57/09/980995709.db2.gz	VOEYUKGFFUPTGD-VXGBXAGGSA-N	1	0	321.337	-0.487	20	5		DBBDRO
O=C(Cn1ccnc1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001530814211	1014802117	/nfs/dbraw/zinc/80/21/17/1014802117.db2.gz	UYUSSFOKAIDZJQ-GHMZBOCLSA-N	1	0	307.310	-0.877	20	5		DBBDRO
CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001491017578	1015193601	/nfs/dbraw/zinc/19/36/01/1015193601.db2.gz	PONYTOYLXDKXRJ-WRWGMCAJSA-N	1	0	312.370	-0.243	20	5		DBBDRO
C[N@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1	ZINC001494217442	1016194362	/nfs/dbraw/zinc/19/43/62/1016194362.db2.gz	CLOTUEVEEIVENX-LYIQGSDWSA-N	1	0	324.381	-0.101	20	5		DBBDRO
[NH3+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1	ZINC001592741475	1016784616	/nfs/dbraw/zinc/78/46/16/1016784616.db2.gz	SUWUTLGASIBWJG-UHFFFAOYSA-N	1	0	320.313	-0.540	20	5		DBBDRO
CC[N@H+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001496013060	1016816694	/nfs/dbraw/zinc/81/66/94/1016816694.db2.gz	NNOLWKBWDREKIH-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
CNC(=O)CN1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1	ZINC001460807337	1009114192	/nfs/dbraw/zinc/11/41/92/1009114192.db2.gz	MUQHLXSBIOTITH-UHFFFAOYSA-N	1	0	324.385	-0.147	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@H]2CCN2C)c([N+](=O)[O-])n1	ZINC001464594535	1009326542	/nfs/dbraw/zinc/32/65/42/1009326542.db2.gz	CJTLEDZVNUXKET-MRVPVSSYSA-N	1	0	303.344	-0.206	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@@H]2CCN2C)c([N+](=O)[O-])n1	ZINC001464594536	1009327084	/nfs/dbraw/zinc/32/70/84/1009327084.db2.gz	CJTLEDZVNUXKET-QMMMGPOBSA-N	1	0	303.344	-0.206	20	5		DBBDRO
C[NH+]1CCC(N(CCO)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001469565218	1009670401	/nfs/dbraw/zinc/67/04/01/1009670401.db2.gz	OZMKGORKGBHPOB-UHFFFAOYSA-N	1	0	311.342	-0.294	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1	ZINC001473859391	1009960127	/nfs/dbraw/zinc/96/01/27/1009960127.db2.gz	JKMSRHVUTKISNH-GVXVVHGQSA-N	1	0	313.333	-0.120	20	5		DBBDRO
CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001480137946	1010549480	/nfs/dbraw/zinc/54/94/80/1010549480.db2.gz	PONYTOYLXDKXRJ-DDHJBXDOSA-N	1	0	312.370	-0.243	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCC[N@H+]1CCO	ZINC001450022034	1010617163	/nfs/dbraw/zinc/61/71/63/1010617163.db2.gz	PWUVWRAUZPQVMK-SNVBAGLBSA-N	1	0	312.330	-0.851	20	5		DBBDRO
Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1	ZINC001482217829	1011090881	/nfs/dbraw/zinc/09/08/81/1011090881.db2.gz	COYMTKAETQSEAG-VXGBXAGGSA-N	1	0	322.369	-0.001	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1	ZINC001455057344	1012202895	/nfs/dbraw/zinc/20/28/95/1012202895.db2.gz	RCUIUZLXILLSSU-CYBMUJFWSA-N	1	0	309.326	-0.289	20	5		DBBDRO
Cc1ccncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001484482908	1012709371	/nfs/dbraw/zinc/70/93/71/1012709371.db2.gz	ZLHXMGOPNSRUDF-ZIAGYGMSSA-N	1	0	322.365	-0.034	20	5		DBBDRO
C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1	ZINC001604777985	1018447911	/nfs/dbraw/zinc/44/79/11/1018447911.db2.gz	AXSUJHCGALFCCS-UHFFFAOYSA-N	1	0	322.329	-0.307	20	5		DBBDRO
CCCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001501219127	1018599873	/nfs/dbraw/zinc/59/98/73/1018599873.db2.gz	AMICGWCQBHEZRV-YVECIDJPSA-N	1	0	324.381	-0.432	20	5		DBBDRO
CCCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001506884330	1019981453	/nfs/dbraw/zinc/98/14/53/1019981453.db2.gz	QODMNEJNPFVNCO-DDHJBXDOSA-N	1	0	312.370	-0.338	20	5		DBBDRO
CN(C[C@H](O)C[NH3+])S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC001578446067	1020241478	/nfs/dbraw/zinc/24/14/78/1020241478.db2.gz	OAMOBRDZJOYNJS-LLVKDONJSA-N	1	0	317.367	-0.282	20	5		DBBDRO
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2O)c1C	ZINC001579642813	1020527632	/nfs/dbraw/zinc/52/76/32/1020527632.db2.gz	XJLRGIYGSZNHBN-GHMZBOCLSA-N	1	0	315.351	-0.177	20	5		DBBDRO
Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2O)cc1[N+](=O)[O-]	ZINC001579731713	1020539940	/nfs/dbraw/zinc/53/99/40/1020539940.db2.gz	SIVYCKXZSVTLQL-CMPLNLGQSA-N	1	0	315.351	-0.096	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)n1	ZINC001579969778	1020608266	/nfs/dbraw/zinc/60/82/66/1020608266.db2.gz	MPYJNWNAQQFLLP-LLVKDONJSA-N	1	0	315.355	-0.155	20	5		DBBDRO
[NH3+]C[C@]1(CO)COCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC001580244475	1020673099	/nfs/dbraw/zinc/67/30/99/1020673099.db2.gz	YGEXRXVWXHOIEN-ZDUSSCGKSA-N	1	0	313.285	-0.104	20	5		DBBDRO
O=C(CN1CC[NH2+]C[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21	ZINC001580548962	1020747047	/nfs/dbraw/zinc/74/70/47/1020747047.db2.gz	KWBVGOYPKKLAGW-CYBMUJFWSA-N	1	0	320.349	-0.250	20	5		DBBDRO
C[NH+]1CCC(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001583311531	1020987154	/nfs/dbraw/zinc/98/71/54/1020987154.db2.gz	URIMEUXDXZSBML-XCUNLHGCSA-N	1	0	324.381	-0.218	20	5		DBBDRO
O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001585075837	1021045056	/nfs/dbraw/zinc/04/50/56/1021045056.db2.gz	FMWFJZYHYOEKDI-GHMZBOCLSA-N	1	0	322.365	-0.488	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC001558702676	1023968105	/nfs/dbraw/zinc/96/81/05/1023968105.db2.gz	VZIUTOMPIPTFGU-VHSXEESVSA-N	1	0	309.326	-0.011	20	5		DBBDRO
C[C@@H]1CN(CCO)[C@@H](C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001559215442	1023983117	/nfs/dbraw/zinc/98/31/17/1023983117.db2.gz	AXWWMGNREUJNAM-VHSXEESVSA-N	1	0	323.353	-0.020	20	5		DBBDRO
COCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1	ZINC001569727944	1025311296	/nfs/dbraw/zinc/31/12/96/1025311296.db2.gz	PCQJFNBKOPLCEY-VXGBXAGGSA-N	1	0	315.370	-0.057	20	5		DBBDRO
CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001570196590	1025520326	/nfs/dbraw/zinc/52/03/26/1025520326.db2.gz	LCRWSCCXKDYHQL-GHMZBOCLSA-N	1	0	300.359	-0.480	20	5		DBBDRO
CN(C)C(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001570674051	1025701472	/nfs/dbraw/zinc/70/14/72/1025701472.db2.gz	RCICEYILUNHZAJ-GHMZBOCLSA-N	1	0	314.386	-0.186	20	5		DBBDRO
Nc1nccc(C(=O)NC[C@H]2CN3CCN2CC3)c1[N+](=O)[O-]	ZINC000581675008	412520912	/nfs/dbraw/zinc/52/09/12/412520912.db2.gz	FJOGCRIZJYRVBF-VIFPVBQESA-N	1	0	306.326	-0.698	20	5		DBBDRO
CS(=O)(=O)c1ccc(NCCNC(N)=[NH2+])c([N+](=O)[O-])c1	ZINC000341491329	138109960	/nfs/dbraw/zinc/10/99/60/138109960.db2.gz	XTQFVKDSUDVWMZ-UHFFFAOYSA-N	1	0	301.328	-0.107	20	5		DBBDRO
CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000342368864	138123438	/nfs/dbraw/zinc/12/34/38/138123438.db2.gz	IRRXQMXTLCCHAX-KOLCDFICSA-N	1	0	312.330	-0.845	20	5		DBBDRO
CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000342368857	138123922	/nfs/dbraw/zinc/12/39/22/138123922.db2.gz	IRRXQMXTLCCHAX-GXSJLCMTSA-N	1	0	312.330	-0.845	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCO)CC1	ZINC000356743902	138144230	/nfs/dbraw/zinc/14/42/30/138144230.db2.gz	MCYZETMAFDDLGL-UHFFFAOYSA-N	1	0	311.342	-0.238	20	5		DBBDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000372333847	138166619	/nfs/dbraw/zinc/16/66/19/138166619.db2.gz	SENCPAGCNPNYRU-LBPRGKRZSA-N	1	0	308.342	-0.703	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000556851258	283958188	/nfs/dbraw/zinc/95/81/88/283958188.db2.gz	CELYLEQCXNNLCN-CQSZACIVSA-N	1	0	323.353	-0.246	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000563038507	284019788	/nfs/dbraw/zinc/01/97/88/284019788.db2.gz	UNXJJVQWEOGVEV-UHFFFAOYSA-N	1	0	323.309	-0.801	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CCCOCC2)c1	ZINC000564873709	284069798	/nfs/dbraw/zinc/06/97/98/284069798.db2.gz	RQZZFHIQYOSWGR-ZDUSSCGKSA-N	1	0	313.358	-0.536	20	5		DBBDRO
O=C([C@@H]1C[NH2+]CCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000321438791	374270935	/nfs/dbraw/zinc/27/09/35/374270935.db2.gz	FRTACLIQUXOZBU-LBPRGKRZSA-N	1	0	321.337	-0.373	20	5		DBBDRO
CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000578186873	374322094	/nfs/dbraw/zinc/32/20/94/374322094.db2.gz	FIEYYTYXEHEAJW-CMPLNLGQSA-N	1	0	311.342	-0.247	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1	ZINC000226615019	374465642	/nfs/dbraw/zinc/46/56/42/374465642.db2.gz	QWUGRFMZDXCPOP-JTQLQIEISA-N	1	0	314.367	-0.142	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C[NH3+])C1	ZINC000579246386	374518457	/nfs/dbraw/zinc/51/84/57/374518457.db2.gz	JTCJVHVTUMKKDU-SECBINFHSA-N	1	0	315.355	-0.747	20	5		DBBDRO
CCC[C@H](O)[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579474579	374558902	/nfs/dbraw/zinc/55/89/02/374558902.db2.gz	FCQFSHBTEIGEKE-TUAOUCFPSA-N	1	0	302.331	-0.736	20	5		DBBDRO
COCC1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH2+]CC1	ZINC000261650646	374586133	/nfs/dbraw/zinc/58/61/33/374586133.db2.gz	DDWLWVHNPPJRST-UHFFFAOYSA-N	1	0	311.342	-0.076	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588860539	374768260	/nfs/dbraw/zinc/76/82/60/374768260.db2.gz	GYXFFCSYGXDESN-WDEREUQCSA-N	1	0	309.326	-0.541	20	5		DBBDRO
COC(=O)c1cc(NC(=O)CNC(=O)C[NH3+])cc([N+](=O)[O-])c1	ZINC000262391574	374857672	/nfs/dbraw/zinc/85/76/72/374857672.db2.gz	MGPLQEZCSLJASZ-UHFFFAOYSA-N	1	0	310.266	-0.605	20	5		DBBDRO
COCCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000112913564	374958541	/nfs/dbraw/zinc/95/85/41/374958541.db2.gz	NYFDKLLKFTYBSR-UHFFFAOYSA-N	1	0	324.337	-0.453	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO	ZINC000364196212	375303399	/nfs/dbraw/zinc/30/33/99/375303399.db2.gz	JNCHACORGSTPLD-TUAOUCFPSA-N	1	0	312.322	-0.238	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)CN2CCCC2)c1	ZINC000566233096	375537363	/nfs/dbraw/zinc/53/73/63/375537363.db2.gz	XRRHFMVDKQOJGF-AAEUAGOBSA-N	1	0	313.358	-0.802	20	5		DBBDRO
CC[N@H+](CCO)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC000183920948	375546230	/nfs/dbraw/zinc/54/62/30/375546230.db2.gz	ORQILYADMRPTBL-UHFFFAOYSA-N	1	0	313.358	-0.080	20	5		DBBDRO
O=C(N[C@H](CO)C[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000590372362	375526979	/nfs/dbraw/zinc/52/69/79/375526979.db2.gz	PBUGHIDJIGHVSJ-JTQLQIEISA-N	1	0	310.310	-0.118	20	5		DBBDRO
O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1	ZINC000592390027	375799913	/nfs/dbraw/zinc/79/99/13/375799913.db2.gz	IEUYNHVYMDHFDU-YUMQZZPRSA-N	1	0	304.303	-0.032	20	5		DBBDRO
CSC[C@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000592431127	375805854	/nfs/dbraw/zinc/80/58/54/375805854.db2.gz	NOICMPGECGTDSC-ONGXEEELSA-N	1	0	304.372	-0.144	20	5		DBBDRO
C[NH2+]C[C@@H](O)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000592430747	375806145	/nfs/dbraw/zinc/80/61/45/375806145.db2.gz	IGYIPLMOXCKHEV-LLVKDONJSA-N	1	0	317.367	-0.462	20	5		DBBDRO
CN(CCN1CC[NH2+]CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000592469363	375806677	/nfs/dbraw/zinc/80/66/77/375806677.db2.gz	LPXFNEOQWGWYQX-UHFFFAOYSA-N	1	0	324.385	-0.110	20	5		DBBDRO
CN(CCN1CC[NH2+]CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000592469179	375807252	/nfs/dbraw/zinc/80/72/52/375807252.db2.gz	JFHRIXPKMLWBFO-UHFFFAOYSA-N	1	0	323.353	-0.880	20	5		DBBDRO
CCO[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C[NH3+]	ZINC000593916458	375901918	/nfs/dbraw/zinc/90/19/18/375901918.db2.gz	KLVZMVIQGRYLQW-GHMZBOCLSA-N	1	0	311.342	-0.078	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594766368	375946869	/nfs/dbraw/zinc/94/68/69/375946869.db2.gz	VCTOSIVOSQOCHA-LLVKDONJSA-N	1	0	318.355	-0.419	20	5		DBBDRO
CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000595662160	376028385	/nfs/dbraw/zinc/02/83/85/376028385.db2.gz	NHWHNXAFZNNPKT-OLZOCXBDSA-N	1	0	314.342	-0.375	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1	ZINC000596074603	376069645	/nfs/dbraw/zinc/06/96/45/376069645.db2.gz	VVXUCIYQTHTQMR-UHFFFAOYSA-N	1	0	308.342	-0.218	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000597655587	376159652	/nfs/dbraw/zinc/15/96/52/376159652.db2.gz	YSJCOVXDODFMFW-VIFPVBQESA-N	1	0	311.294	-0.024	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000597624805	376160523	/nfs/dbraw/zinc/16/05/23/376160523.db2.gz	LNIKDSFTBDYGAG-JTQLQIEISA-N	1	0	308.342	-0.552	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](N2CCOCC2)C1	ZINC000597709635	376167719	/nfs/dbraw/zinc/16/77/19/376167719.db2.gz	KHSATHNKEDPBHC-LLVKDONJSA-N	1	0	324.341	-0.491	20	5		DBBDRO
O=[N+]([O-])c1c(N2C[C@@H]3C[NH2+]C[C@H]3C2)ncnc1N1CCOCC1	ZINC000598589879	376213373	/nfs/dbraw/zinc/21/33/73/376213373.db2.gz	MPSYUXLXSAXGLE-QWRGUYRKSA-N	1	0	320.353	-0.123	20	5		DBBDRO
[NH3+]CC1(O)CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000598915741	376229091	/nfs/dbraw/zinc/22/90/91/376229091.db2.gz	NTFKXOLKRMYVJG-UHFFFAOYSA-N	1	0	322.321	-0.155	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1	ZINC000599099282	376242968	/nfs/dbraw/zinc/24/29/68/376242968.db2.gz	CMOOKXKNRAAHMZ-DTWKUNHWSA-N	1	0	315.355	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1	ZINC000599108604	376246211	/nfs/dbraw/zinc/24/62/11/376246211.db2.gz	OREZKVWXWABPDI-IUCAKERBSA-N	1	0	315.355	-0.299	20	5		DBBDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C	ZINC000599109665	376246441	/nfs/dbraw/zinc/24/64/41/376246441.db2.gz	VUISXXHSBKEJAE-HTQZYQBOSA-N	1	0	303.344	-0.301	20	5		DBBDRO
CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599109213	376246806	/nfs/dbraw/zinc/24/68/06/376246806.db2.gz	UOBFKUQFPVJJJI-QMMMGPOBSA-N	1	0	303.344	-0.314	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCn2ccnc2)n1	ZINC000599204389	376255489	/nfs/dbraw/zinc/25/54/89/376255489.db2.gz	UVDDSMYIFSHHJY-UHFFFAOYSA-N	1	0	314.327	-0.107	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)n1	ZINC000599228842	376263070	/nfs/dbraw/zinc/26/30/70/376263070.db2.gz	KBKWOEZHSZSOIW-SECBINFHSA-N	1	0	317.371	-0.052	20	5		DBBDRO
[NH3+]CCCOCCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000599921160	376344789	/nfs/dbraw/zinc/34/47/89/376344789.db2.gz	PCLROTCLTBOUTB-UHFFFAOYSA-N	1	0	300.319	-0.544	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)n1	ZINC000569234322	376637560	/nfs/dbraw/zinc/63/75/60/376637560.db2.gz	WVTJAVARLKEOGG-UHFFFAOYSA-N	1	0	324.341	-0.685	20	5		DBBDRO
C[C@H](CN1CCOCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000315326961	376669883	/nfs/dbraw/zinc/66/98/83/376669883.db2.gz	MIKTZVBGYMTDSL-YPMHNXCESA-N	1	0	313.358	-0.538	20	5		DBBDRO
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]CC1	ZINC000314784856	376648386	/nfs/dbraw/zinc/64/83/86/376648386.db2.gz	BSONMRAQFAOGQZ-UHFFFAOYSA-N	1	0	310.285	-0.105	20	5		DBBDRO
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]CC1	ZINC000262095837	376767488	/nfs/dbraw/zinc/76/74/88/376767488.db2.gz	BMNQYKLTKQRYGN-UHFFFAOYSA-N	1	0	320.305	-0.248	20	5		DBBDRO
C[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262496476	376979190	/nfs/dbraw/zinc/97/91/90/376979190.db2.gz	ZPDUSAUSCAJXPE-QMMMGPOBSA-N	1	0	316.339	-0.664	20	5		DBBDRO
COC(=O)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000366732581	377373432	/nfs/dbraw/zinc/37/34/32/377373432.db2.gz	XOYRFTVIQXDTQG-ADEWGFFLSA-N	1	0	312.326	-0.107	20	5		DBBDRO
C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CC[NH+](C)CC1	ZINC000356444463	378056972	/nfs/dbraw/zinc/05/69/72/378056972.db2.gz	IDJQQYKDAOFGPI-SNVBAGLBSA-N	1	0	310.358	-0.306	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C	ZINC000356466106	378058177	/nfs/dbraw/zinc/05/81/77/378058177.db2.gz	LSOVZVSLPZSGRJ-SNVBAGLBSA-N	1	0	310.358	-0.306	20	5		DBBDRO
NS(=O)(=O)C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000357921906	378378563	/nfs/dbraw/zinc/37/85/63/378378563.db2.gz	WNRGZMYXDLWGGN-JTQLQIEISA-N	1	0	317.371	-0.208	20	5		DBBDRO
C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248568120	378431033	/nfs/dbraw/zinc/43/10/33/378431033.db2.gz	FKKHZDKTNBZTCP-YPMHNXCESA-N	1	0	311.342	-0.118	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000547282347	379776372	/nfs/dbraw/zinc/77/63/72/379776372.db2.gz	XLLTYGMTSRYZPU-LLVKDONJSA-N	1	0	316.339	-0.665	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000619254184	379813537	/nfs/dbraw/zinc/81/35/37/379813537.db2.gz	IUEUBHLFEWIARE-CYBMUJFWSA-N	1	0	311.342	-0.294	20	5		DBBDRO
CCN(CC)C(=O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075586517	380143136	/nfs/dbraw/zinc/14/31/36/380143136.db2.gz	MHFOBZHRJNAGLH-GFCCVEGCSA-N	1	0	313.358	-0.048	20	5		DBBDRO
CC(C)N1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000572356361	380172594	/nfs/dbraw/zinc/17/25/94/380172594.db2.gz	HGOVGGQBXJJDBH-PWSUYJOCSA-N	1	0	311.342	-0.249	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000044682688	380375361	/nfs/dbraw/zinc/37/53/61/380375361.db2.gz	OROJTDKDDHYCQU-UHFFFAOYSA-N	1	0	310.358	-0.503	20	5		DBBDRO
Cc1nn(CCC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-]	ZINC000576872757	380506196	/nfs/dbraw/zinc/50/61/96/380506196.db2.gz	WHULQULBJSHFKR-LBPRGKRZSA-N	1	0	324.385	-0.100	20	5		DBBDRO
O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000238099132	380518713	/nfs/dbraw/zinc/51/87/13/380518713.db2.gz	YNBFIXVTLPLOBB-RYUDHWBXSA-N	1	0	320.349	-0.034	20	5		DBBDRO
C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C(N)=O)C1	ZINC000249590362	380854777	/nfs/dbraw/zinc/85/47/77/380854777.db2.gz	VESZBFTVORKDDM-YUSALJHKSA-N	1	0	311.342	-0.262	20	5		DBBDRO
O=[N+]([O-])c1ccn(CC[N@@H+](CCO)CCN2CCOCC2)n1	ZINC000152975022	381030828	/nfs/dbraw/zinc/03/08/28/381030828.db2.gz	OAWSWCSMHBOQEE-UHFFFAOYSA-N	1	0	313.358	-0.582	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000581081372	382129151	/nfs/dbraw/zinc/12/91/51/382129151.db2.gz	JBTNRLVYDHRNEB-CQSZACIVSA-N	1	0	321.337	-0.242	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1CO	ZINC000274154825	382457677	/nfs/dbraw/zinc/45/76/77/382457677.db2.gz	JNCHACORGSTPLD-IJLUTSLNSA-N	1	0	312.322	-0.238	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1	ZINC000369339999	382524402	/nfs/dbraw/zinc/52/44/02/382524402.db2.gz	RTZJBZZWSAZWJB-CMPLNLGQSA-N	1	0	306.322	-0.033	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000420460061	382508818	/nfs/dbraw/zinc/50/88/18/382508818.db2.gz	RRNHBZHHAXHINH-MRVPVSSYSA-N	1	0	320.396	-0.162	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000318791997	382573441	/nfs/dbraw/zinc/57/34/41/382573441.db2.gz	ZHHVSCHWQUSJIX-JTQLQIEISA-N	1	0	308.342	-0.452	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@H]2CO)c1	ZINC000330820481	382598033	/nfs/dbraw/zinc/59/80/33/382598033.db2.gz	FKSXRBDWHNSBEI-GHMZBOCLSA-N	1	0	302.356	-0.438	20	5		DBBDRO
CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173617472	382688801	/nfs/dbraw/zinc/68/88/01/382688801.db2.gz	ZGYIVZOIBVJGEQ-RYUDHWBXSA-N	1	0	311.342	-0.247	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1	ZINC000600668807	382636526	/nfs/dbraw/zinc/63/65/26/382636526.db2.gz	ATTRQCDGFFPKKB-MBTKJCJQSA-N	1	0	315.355	-0.491	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000600810412	382636889	/nfs/dbraw/zinc/63/68/89/382636889.db2.gz	ZFHMCAKOFNIJKD-NSHDSACASA-N	1	0	311.342	-0.327	20	5		DBBDRO
COC(=O)[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@H+](C)C1	ZINC000602697468	382639724	/nfs/dbraw/zinc/63/97/24/382639724.db2.gz	UBJIVKKUICJIAG-NSHDSACASA-N	1	0	311.342	-0.135	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)C[NH+](C)C)CC1	ZINC000602763463	382639805	/nfs/dbraw/zinc/63/98/05/382639805.db2.gz	OPZSRKZCKMPLKU-UHFFFAOYSA-N	1	0	324.385	-0.194	20	5		DBBDRO
C[NH+](C)C1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1	ZINC000273299187	130104847	/nfs/dbraw/zinc/10/48/47/130104847.db2.gz	LORVQUZCKTXGAK-UHFFFAOYSA-N	1	0	300.340	-0.008	20	5		DBBDRO
C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1	ZINC000419470576	392139661	/nfs/dbraw/zinc/13/96/61/392139661.db2.gz	YJDFCHCJAKXLFC-ZJUUUORDSA-N	1	0	324.341	-0.884	20	5		DBBDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000349777916	392139960	/nfs/dbraw/zinc/13/99/60/392139960.db2.gz	VFUALULOCIIAMT-GFCCVEGCSA-N	1	0	324.385	-0.067	20	5		DBBDRO
Cc1c(C(=O)NCC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000428742182	392147505	/nfs/dbraw/zinc/14/75/05/392147505.db2.gz	SZOJFLSYAUICLS-UHFFFAOYSA-N	1	0	302.312	-0.761	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000170953808	392148412	/nfs/dbraw/zinc/14/84/12/392148412.db2.gz	AVEGPFODBXTSHG-LLVKDONJSA-N	1	0	310.358	-0.457	20	5		DBBDRO
CS[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1[NH+](C)C	ZINC000330647102	392151961	/nfs/dbraw/zinc/15/19/61/392151961.db2.gz	HABWTTNNVCDYLP-RKDXNWHRSA-N	1	0	314.371	-0.310	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000488835325	392135866	/nfs/dbraw/zinc/13/58/66/392135866.db2.gz	WUKDROMCCXMCAW-NSHDSACASA-N	1	0	324.341	-0.633	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1	ZINC000554858035	392136093	/nfs/dbraw/zinc/13/60/93/392136093.db2.gz	VWZNLDUOIWRKPI-VIFPVBQESA-N	1	0	324.341	-0.365	20	5		DBBDRO
Cc1n[nH]c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-]	ZINC000560506401	392524436	/nfs/dbraw/zinc/52/44/36/392524436.db2.gz	AHOMDVIGMKSLIK-ZDUSSCGKSA-N	1	0	309.326	-0.187	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000351592966	392899428	/nfs/dbraw/zinc/89/94/28/392899428.db2.gz	LPCGSGOCUOSZHX-SNVBAGLBSA-N	1	0	322.369	-0.062	20	5		DBBDRO
COc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000322079028	392849159	/nfs/dbraw/zinc/84/91/59/392849159.db2.gz	BTMGNEBRHLWRMH-UHFFFAOYSA-N	1	0	322.321	-0.235	20	5		DBBDRO
COc1ccc(NC(=O)C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000415287978	393475206	/nfs/dbraw/zinc/47/52/06/393475206.db2.gz	YZTSRMLZLGQJHJ-UHFFFAOYSA-N	1	0	308.294	-0.026	20	5		DBBDRO
Nc1nccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-]	ZINC000563406403	411817316	/nfs/dbraw/zinc/81/73/16/411817316.db2.gz	CUUVBUFPURSETB-SNVBAGLBSA-N	1	0	323.353	0.149	20	5		DBBDRO
CNc1nccc(C(=O)NCCN2CCCOCC2)c1[N+](=O)[O-]	ZINC000566448299	412336609	/nfs/dbraw/zinc/33/66/09/412336609.db2.gz	CTPPKDFPWLJTIT-UHFFFAOYSA-N	1	0	323.353	0.484	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000356429810	412294266	/nfs/dbraw/zinc/29/42/66/412294266.db2.gz	QZPNXZBXOGMENS-UHFFFAOYSA-N	1	0	307.314	0.339	20	5		DBBDRO
COC(=O)c1cc(C)nc(NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-]	ZINC000342832196	412377926	/nfs/dbraw/zinc/37/79/26/412377926.db2.gz	RIUXSVNGJZGGHG-CQSZACIVSA-N	1	0	324.337	0.563	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1	ZINC000597574621	412476195	/nfs/dbraw/zinc/47/61/95/412476195.db2.gz	RDFKLUTVHMDPKD-CQSZACIVSA-N	1	0	323.353	0.101	20	5		DBBDRO
CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)OCCO	ZINC000314352818	265685820	/nfs/dbraw/zinc/68/58/20/265685820.db2.gz	WICCIWPUTPWTHD-NSHDSACASA-N	1	0	302.331	-0.471	20	5		DBBDRO
O=C(COC1C[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000430773802	266013572	/nfs/dbraw/zinc/01/35/72/266013572.db2.gz	ASPSQKLSAJREEQ-JTQLQIEISA-N	1	0	321.337	-0.009	20	5		DBBDRO
CCn1cc(S(=O)(=O)NCC[NH2+]CCOC)c([N+](=O)[O-])n1	ZINC000440824673	266108303	/nfs/dbraw/zinc/10/83/03/266108303.db2.gz	IBMATQJZGRWWDM-UHFFFAOYSA-N	1	0	321.359	-0.675	20	5		DBBDRO
[NH3+]CCn1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])nn1	ZINC000516664173	266283187	/nfs/dbraw/zinc/28/31/87/266283187.db2.gz	BJHWMDMZBMPSHA-UHFFFAOYSA-N	1	0	319.325	-0.013	20	5		DBBDRO
C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000517936192	266298238	/nfs/dbraw/zinc/29/82/38/266298238.db2.gz	SFVQNOGSFRBMJD-GMTAPVOTSA-N	1	0	300.311	-0.334	20	5		DBBDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1	ZINC000285680795	277150879	/nfs/dbraw/zinc/15/08/79/277150879.db2.gz	HRSHYZJHJYFHDN-MNOVXSKESA-N	1	0	309.326	-0.277	20	5		DBBDRO
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1	ZINC000261856290	303382897	/nfs/dbraw/zinc/38/28/97/303382897.db2.gz	FFFXBGLYOBZXDN-VIFPVBQESA-N	1	0	309.326	-0.150	20	5		DBBDRO
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000390397620	333276415	/nfs/dbraw/zinc/27/64/15/333276415.db2.gz	IRBYYKMKDGKQEQ-NWDGAFQWSA-N	1	0	321.337	-0.639	20	5		DBBDRO
NC(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000574983810	334125688	/nfs/dbraw/zinc/12/56/88/334125688.db2.gz	CPVHEEHBDAXUSL-UHFFFAOYSA-N	1	0	301.324	-0.167	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000582976563	337225322	/nfs/dbraw/zinc/22/53/22/337225322.db2.gz	XMPWGRYERBKBAG-NEPJUHHUSA-N	1	0	304.306	-0.021	20	5		DBBDRO
O=C(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)NCCO	ZINC000584412767	337321607	/nfs/dbraw/zinc/32/16/07/337321607.db2.gz	YZKXSTDOIMDQPE-NSHDSACASA-N	1	0	313.310	-0.967	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000584540703	337359654	/nfs/dbraw/zinc/35/96/54/337359654.db2.gz	INZQTKXURNKBLI-VXGBXAGGSA-N	1	0	318.333	-0.092	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000574771463	341768531	/nfs/dbraw/zinc/76/85/31/341768531.db2.gz	XFFBNLZHTFPNAK-NEPJUHHUSA-N	1	0	304.306	-0.021	20	5		DBBDRO
CC(C)(C)C(=O)NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000577097279	341885576	/nfs/dbraw/zinc/88/55/76/341885576.db2.gz	ASLHFWNVFHSEJA-LLVKDONJSA-N	1	0	313.358	-0.096	20	5		DBBDRO
CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000246704133	519690132	/nfs/dbraw/zinc/69/01/32/519690132.db2.gz	JPQNJBIUCLMVHD-DGCLKSJQSA-N	1	0	311.342	-0.247	20	5		DBBDRO
CCNC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C	ZINC000339333914	521746255	/nfs/dbraw/zinc/74/62/55/521746255.db2.gz	BWULFBNTSLREOD-NWDGAFQWSA-N	1	0	313.358	-0.098	20	5		DBBDRO
COCC[NH+](CCOC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266459005	523716145	/nfs/dbraw/zinc/71/61/45/523716145.db2.gz	PQCMYNROGFQSQJ-LBPRGKRZSA-N	1	0	302.331	-0.253	20	5		DBBDRO
COC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266561593	523864171	/nfs/dbraw/zinc/86/41/71/523864171.db2.gz	XZLRYGNWQRYWDP-MWLCHTKSSA-N	1	0	300.315	-0.107	20	5		DBBDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247546215	524016661	/nfs/dbraw/zinc/01/66/61/524016661.db2.gz	PNJBIKDHWAKXPV-VXGBXAGGSA-N	1	0	311.342	-0.295	20	5		DBBDRO
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CC[NH+](C)CC1	ZINC000359798936	524714425	/nfs/dbraw/zinc/71/44/25/524714425.db2.gz	RWCXYKXZRZCQAL-JTQLQIEISA-N	1	0	322.369	-0.062	20	5		DBBDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000347198804	524796404	/nfs/dbraw/zinc/79/64/04/524796404.db2.gz	MWUJMVYFFTVSIE-JTQLQIEISA-N	1	0	311.342	-0.143	20	5		DBBDRO
C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])nn1C	ZINC000347095544	525661720	/nfs/dbraw/zinc/66/17/20/525661720.db2.gz	RQMAURKKWZOFTJ-ZJUUUORDSA-N	1	0	311.342	-0.145	20	5		DBBDRO
O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CC[NH2+]CC1	ZINC000237994990	526979115	/nfs/dbraw/zinc/97/91/15/526979115.db2.gz	OWVURAJCSACJKT-UHFFFAOYSA-N	1	0	308.338	-0.005	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000343649032	527086281	/nfs/dbraw/zinc/08/62/81/527086281.db2.gz	VWWUJHOUGSFEMV-GFCCVEGCSA-N	1	0	322.369	-0.394	20	5		DBBDRO
[NH3+]CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000243254251	527186355	/nfs/dbraw/zinc/18/63/55/527186355.db2.gz	KRMUJCUIGNFUOO-UHFFFAOYSA-N	1	0	314.367	-0.140	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)c1	ZINC000738369322	598500088	/nfs/dbraw/zinc/50/00/88/598500088.db2.gz	KVHKBZRSSOPZPN-YUMQZZPRSA-N	1	0	302.298	-0.175	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C)CC[N@@H+](C)CC1	ZINC000888999144	663928789	/nfs/dbraw/zinc/92/87/89/663928789.db2.gz	WENURLJWKZCCER-UHFFFAOYSA-N	1	0	324.385	-0.194	20	5		DBBDRO
CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001022064101	664204743	/nfs/dbraw/zinc/20/47/43/664204743.db2.gz	WILSOZXKNCLGEU-RBLKWDMZSA-N	1	0	308.342	-0.300	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1	ZINC001022868885	664391305	/nfs/dbraw/zinc/39/13/05/664391305.db2.gz	ABEFOORTALSATQ-OCAPTIKFSA-N	1	0	320.313	-0.503	20	5		DBBDRO
CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001025775218	665085216	/nfs/dbraw/zinc/08/52/16/665085216.db2.gz	FSXFCPHUENGRRO-DIACKHNESA-N	1	0	322.365	-0.681	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC000976541212	665370473	/nfs/dbraw/zinc/37/04/73/665370473.db2.gz	PCPPEKHIEGGSOH-DIACKHNESA-N	1	0	322.365	-0.680	20	5		DBBDRO
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[N@H+](C)CCN1C	ZINC000896571259	671411815	/nfs/dbraw/zinc/41/18/15/671411815.db2.gz	PJADXXSQYCCUFL-GHMZBOCLSA-N	1	0	310.358	-0.458	20	5		DBBDRO
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896570611	671414039	/nfs/dbraw/zinc/41/40/39/671414039.db2.gz	CXRVRGZYXQOQIM-JQWIXIFHSA-N	1	0	310.358	-0.458	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](CCCF)C2)CC1	ZINC000941407770	677801282	/nfs/dbraw/zinc/80/12/82/677801282.db2.gz	WJQAQQDNYMORNI-CHWSQXEVSA-N	1	0	314.361	-0.160	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCn2cncn2)CC1	ZINC000996441395	678244606	/nfs/dbraw/zinc/24/46/06/678244606.db2.gz	RQQWOGJBHZOCQF-VXGBXAGGSA-N	1	0	308.342	-0.476	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCN2CCCC2=O)CC1	ZINC000996442493	678244731	/nfs/dbraw/zinc/24/47/31/678244731.db2.gz	WVEAJKVIVWFWPK-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
Cn1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000997773997	678509882	/nfs/dbraw/zinc/50/98/82/678509882.db2.gz	ZUIHMYKNRILXBY-VXGBXAGGSA-N	1	0	322.369	-0.192	20	5		DBBDRO
CN(C)C(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001001399948	678928568	/nfs/dbraw/zinc/92/85/68/678928568.db2.gz	OQXBMPIULNQVBW-VXGBXAGGSA-N	1	0	312.370	-0.432	20	5		DBBDRO
O=C(NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001001805710	678957780	/nfs/dbraw/zinc/95/77/80/678957780.db2.gz	ILWQXTJUZIVMQG-VXGBXAGGSA-N	1	0	322.365	-0.678	20	5		DBBDRO
O=C(Cc1cnc[nH]1)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001804596	678959482	/nfs/dbraw/zinc/95/94/82/678959482.db2.gz	IPIVCODKXMHZDK-GHMZBOCLSA-N	1	0	307.310	-0.808	20	5		DBBDRO
COC[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000843080921	805607903	/nfs/dbraw/zinc/60/79/03/805607903.db2.gz	MSHMCCSRQVUPDR-WDEREUQCSA-N	1	0	300.311	-0.069	20	5		DBBDRO
CC[NH+](CC)CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001299345334	805879583	/nfs/dbraw/zinc/87/95/83/805879583.db2.gz	CXNYGPTZCOUNRK-VXGBXAGGSA-N	1	0	312.370	-0.337	20	5		DBBDRO
CC[NH+](CC)CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001299357607	805881329	/nfs/dbraw/zinc/88/13/29/805881329.db2.gz	HOHNEEKQMKWUGY-VXGBXAGGSA-N	1	0	312.370	-0.337	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c1	ZINC001307781217	805931196	/nfs/dbraw/zinc/93/11/96/805931196.db2.gz	WNANREYTNZVOAO-MWLCHTKSSA-N	1	0	306.269	-0.146	20	5		DBBDRO
Cn1cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c([N+](=O)[O-])n1	ZINC001307994328	805932837	/nfs/dbraw/zinc/93/28/37/805932837.db2.gz	NOGBKFLJDVDBKH-CHWSQXEVSA-N	1	0	307.310	-0.187	20	5		DBBDRO
Cn1cc(CN[C@@](C)(Cn2cccn2)C(N)=O)c([N+](=O)[O-])n1	ZINC001308147295	805933412	/nfs/dbraw/zinc/93/34/12/805933412.db2.gz	BJJQIBKFJSTYGK-LBPRGKRZSA-N	1	0	307.314	-0.441	20	5		DBBDRO
COC1(OC)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1O	ZINC001308037022	805933832	/nfs/dbraw/zinc/93/38/32/805933832.db2.gz	XQSMQSYSCGHTKM-LLVKDONJSA-N	1	0	300.315	-0.153	20	5		DBBDRO
COC(=O)N(C)CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000852571346	805967554	/nfs/dbraw/zinc/96/75/54/805967554.db2.gz	XSHCKVJDQIZKBN-NSHDSACASA-N	1	0	315.330	-0.218	20	5		DBBDRO
O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000863834551	806379256	/nfs/dbraw/zinc/37/92/56/806379256.db2.gz	JHBDYWBORGCNJP-QWHCGFSZSA-N	1	0	309.322	-0.189	20	5		DBBDRO
COCC1(O)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001319530228	806389289	/nfs/dbraw/zinc/38/92/89/806389289.db2.gz	XRMGAFFOMBDPEV-LBPRGKRZSA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)C2CCOCC2)c1	ZINC001322485938	806744867	/nfs/dbraw/zinc/74/48/67/806744867.db2.gz	UQFHUCZUSDARPP-CHWSQXEVSA-N	1	0	314.342	-0.471	20	5		DBBDRO
CC[N@H+](CCO)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001324041762	806939976	/nfs/dbraw/zinc/93/99/76/806939976.db2.gz	DPSYRWLTBLTRER-UHFFFAOYSA-N	1	0	312.326	-0.813	20	5		DBBDRO
CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075644198	803789901	/nfs/dbraw/zinc/78/99/01/803789901.db2.gz	VXZMMHKVSDYUSD-LBPRGKRZSA-N	1	0	313.358	-0.048	20	5		DBBDRO
CCN(CCNC(=O)C[N@H+](C)C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001284621492	804749257	/nfs/dbraw/zinc/74/92/57/804749257.db2.gz	UILDSMWYALVPKG-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
O=C1CNC(=O)N1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000819065467	805120816	/nfs/dbraw/zinc/12/08/16/805120816.db2.gz	JVPGABKTLMLZOB-LLVKDONJSA-N	1	0	308.294	-0.230	20	5		DBBDRO
O=C1CNC(=O)N1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000819065468	805121395	/nfs/dbraw/zinc/12/13/95/805121395.db2.gz	JVPGABKTLMLZOB-NSHDSACASA-N	1	0	308.294	-0.230	20	5		DBBDRO
CC1(C)OCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CO1	ZINC000819226163	805125205	/nfs/dbraw/zinc/12/52/05/805125205.db2.gz	NLUFFGCTXVXRPB-NSHDSACASA-N	1	0	300.315	-0.107	20	5		DBBDRO
CNS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000819254368	805126298	/nfs/dbraw/zinc/12/62/98/805126298.db2.gz	OTSCGZJGIZHHGD-LLVKDONJSA-N	1	0	303.340	-0.233	20	5		DBBDRO
Cn1ncc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000819331325	805126411	/nfs/dbraw/zinc/12/64/11/805126411.db2.gz	QUKLYZHTVXSBHS-LBPRGKRZSA-N	1	0	309.330	-0.497	20	5		DBBDRO
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1	ZINC001293634177	805437937	/nfs/dbraw/zinc/43/79/37/805437937.db2.gz	YAAGCLFZIILQBZ-GHMZBOCLSA-N	1	0	324.341	-0.835	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)n1	ZINC001329058736	807512261	/nfs/dbraw/zinc/51/22/61/807512261.db2.gz	COHPBFDNQBZJFN-ZJUUUORDSA-N	1	0	309.326	-0.391	20	5		DBBDRO
C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C	ZINC001333734162	808092373	/nfs/dbraw/zinc/09/23/73/808092373.db2.gz	ATSDFRHERQDQQJ-UWVGGRQHSA-N	1	0	310.358	-0.308	20	5		DBBDRO
CN(CCOCC[NH3+])C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC001335228457	808259896	/nfs/dbraw/zinc/25/98/96/808259896.db2.gz	BDAWLONCFVNKBO-UHFFFAOYSA-N	1	0	324.337	-0.355	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(O)CC2)n1	ZINC001341682980	808694686	/nfs/dbraw/zinc/69/46/86/808694686.db2.gz	HKSKEYPXCOQHTH-UHFFFAOYSA-N	1	0	311.342	-0.095	20	5		DBBDRO
O=C(COc1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1	ZINC001342629549	808737864	/nfs/dbraw/zinc/73/78/64/808737864.db2.gz	WNGPTYCGIYCKFX-UHFFFAOYSA-N	1	0	308.338	-0.005	20	5		DBBDRO
O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)N1CCC1	ZINC001048812172	817445799	/nfs/dbraw/zinc/44/57/99/817445799.db2.gz	DKNCDXUMPDMUKR-YVECIDJPSA-N	1	0	322.365	-0.726	20	5		DBBDRO
Cn1nccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048814659	817447889	/nfs/dbraw/zinc/44/78/89/817447889.db2.gz	WMDLIIHQGYWWSZ-ZMJPVWNMSA-N	1	0	319.365	-0.025	20	5		DBBDRO
CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001080441942	824047989	/nfs/dbraw/zinc/04/79/89/824047989.db2.gz	FPVNURKZVHXKTI-VXGBXAGGSA-N	1	0	312.370	-0.337	20	5		DBBDRO
COCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1	ZINC001273969749	832995993	/nfs/dbraw/zinc/99/59/93/832995993.db2.gz	XXMWEJNTPWQGKQ-GHMZBOCLSA-N	1	0	301.343	-0.447	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1	ZINC001093318969	826119595	/nfs/dbraw/zinc/11/95/95/826119595.db2.gz	UHUFIDKOBIOXQC-CHWSQXEVSA-N	1	0	320.353	-0.174	20	5		DBBDRO
C[N@H+](CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1)C1CCC1	ZINC001094221582	826208322	/nfs/dbraw/zinc/20/83/22/826208322.db2.gz	HPJDJYUFRBUNNO-UHFFFAOYSA-N	1	0	323.357	-0.021	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cn[nH]n1	ZINC001161691136	833046628	/nfs/dbraw/zinc/04/66/28/833046628.db2.gz	MFFQKGKMEXLROY-UHFFFAOYSA-N	1	0	308.302	-0.644	20	5		DBBDRO
CS(=O)(=O)N(CC[NH3+])c1ccc([N+](=O)[O-])c2c1CNC2=O	ZINC001162133607	833077538	/nfs/dbraw/zinc/07/75/38/833077538.db2.gz	AAIFWZMSKMZQPW-UHFFFAOYSA-N	1	0	314.323	-0.437	20	5		DBBDRO
CN(CCNC(=O)CC[NH+](C)C)c1ncc([N+](=O)[O-])c(N)n1	ZINC001100299362	826934229	/nfs/dbraw/zinc/93/42/29/826934229.db2.gz	FDPZUIWVHDXUAO-UHFFFAOYSA-N	1	0	311.346	-0.529	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)N1	ZINC001163254437	833142865	/nfs/dbraw/zinc/14/28/65/833142865.db2.gz	NNOHVECNRVUTCH-YGRLFVJLSA-N	1	0	317.305	-0.172	20	5		DBBDRO
CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)n1	ZINC001164275782	833199540	/nfs/dbraw/zinc/19/95/40/833199540.db2.gz	QMSCNJJLDCHLMT-YFKPBYRVSA-N	1	0	321.746	-0.021	20	5		DBBDRO
COc1nc(C)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-]	ZINC001164286967	833199565	/nfs/dbraw/zinc/19/95/65/833199565.db2.gz	FJEMTGRVAKZDAJ-UHFFFAOYSA-N	1	0	305.316	-0.573	20	5		DBBDRO
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1	ZINC001165282738	833236173	/nfs/dbraw/zinc/23/61/73/833236173.db2.gz	BREDFFBNTRMCQJ-PELKAZGASA-N	1	0	314.729	-0.100	20	5		DBBDRO
CC(=O)N(C)C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1	ZINC001166730435	833279958	/nfs/dbraw/zinc/27/99/58/833279958.db2.gz	JYGDYLVUPFGJCV-UHFFFAOYSA-N	1	0	306.326	-0.262	20	5		DBBDRO
CCN(CCC(N)=O)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001166587664	833276144	/nfs/dbraw/zinc/27/61/44/833276144.db2.gz	BTRRSFOXNOQUIX-UHFFFAOYSA-N	1	0	323.357	-0.504	20	5		DBBDRO
CS(=O)(=O)N(c1nc(Cl)ncc1[N+](=O)[O-])C1C[NH2+]C1	ZINC001166966752	833287376	/nfs/dbraw/zinc/28/73/76/833287376.db2.gz	HBVUFVFDGFYOQJ-UHFFFAOYSA-N	1	0	307.719	-0.224	20	5		DBBDRO
COC(=O)c1cnc(N2C[C@H]([NH3+])C[C@H]2C(=O)OC)c([N+](=O)[O-])c1	ZINC001166963564	833287540	/nfs/dbraw/zinc/28/75/40/833287540.db2.gz	NDADTNOXCDWRPS-SCZZXKLOSA-N	1	0	324.293	-0.145	20	5		DBBDRO
CS(=O)(=O)N(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C1C[NH2+]C1	ZINC001166968232	833287757	/nfs/dbraw/zinc/28/77/57/833287757.db2.gz	RKRSKUMXQLDFOQ-UHFFFAOYSA-N	1	0	317.283	-0.364	20	5		DBBDRO
CS(=O)(=O)N(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C1C[NH2+]C1	ZINC001166969508	833288446	/nfs/dbraw/zinc/28/84/46/833288446.db2.gz	SVWOOXFOAKFGSS-UHFFFAOYSA-N	1	0	322.730	-0.381	20	5		DBBDRO
C[NH+]1CCN(C(=N)Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1	ZINC001168735650	833327254	/nfs/dbraw/zinc/32/72/54/833327254.db2.gz	DJMPYSPQYSMSDN-UHFFFAOYSA-N	1	0	307.314	-0.317	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1nnc[nH]1	ZINC001168789133	833329030	/nfs/dbraw/zinc/32/90/30/833329030.db2.gz	IEZXFCSKGJBGBE-UHFFFAOYSA-N	1	0	308.302	-0.644	20	5		DBBDRO
O=C1NC(=O)C2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)N1	ZINC001116397548	828892339	/nfs/dbraw/zinc/89/23/39/828892339.db2.gz	RPSMHLMGFZZBQG-UHFFFAOYSA-N	1	0	308.298	-0.535	20	5		DBBDRO
C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CC[NH+](C)CC1	ZINC001116432499	828894255	/nfs/dbraw/zinc/89/42/55/828894255.db2.gz	GZIHNFUYTPPHHF-SNVBAGLBSA-N	1	0	310.358	-0.306	20	5		DBBDRO
NC(=O)c1ccnc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-]	ZINC001169072633	833333795	/nfs/dbraw/zinc/33/37/95/833333795.db2.gz	QMLKYVZTGHHXAK-SSDOTTSWSA-N	1	0	306.282	-0.864	20	5		DBBDRO
[NH3+][C@@H](CO)Cc1cncn1-c1ccc([N+](=O)[O-])c2c1CNC2=O	ZINC001169076078	833333894	/nfs/dbraw/zinc/33/38/94/833333894.db2.gz	LMLKJGQKMPFEDE-MRVPVSSYSA-N	1	0	317.305	-0.114	20	5		DBBDRO
COc1nc(-n2cncc2C[C@@H]([NH3+])CO)nc(C)c1[N+](=O)[O-]	ZINC001169072773	833333948	/nfs/dbraw/zinc/33/39/48/833333948.db2.gz	XVEWKQHDZFERNT-MRVPVSSYSA-N	1	0	308.298	-0.250	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1ncc[nH]1	ZINC001169204775	833335878	/nfs/dbraw/zinc/33/58/78/833335878.db2.gz	PXFNLPBJDPKVRQ-UHFFFAOYSA-N	1	0	321.341	-0.110	20	5		DBBDRO
C[NH+](C)CCOc1cc(N[C@@H](CO)C(N)=O)ccc1[N+](=O)[O-]	ZINC001169331584	833339106	/nfs/dbraw/zinc/33/91/06/833339106.db2.gz	KBBRLDNXDPUVAW-JTQLQIEISA-N	1	0	312.326	-0.207	20	5		DBBDRO
Cc1c(CC[NH3+])c(=O)[nH]n1-c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001170338108	833350907	/nfs/dbraw/zinc/35/09/07/833350907.db2.gz	OGROKULAFBBJOX-UHFFFAOYSA-N	1	0	306.282	-0.210	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@H]2C[NH2+]C[C@H]2CO)ncnc1N1CCOCC1	ZINC001170780209	833360030	/nfs/dbraw/zinc/36/00/30/833360030.db2.gz	SQYPRIUABKBTNP-UWVGGRQHSA-N	1	0	324.341	-0.786	20	5		DBBDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001170870384	833361792	/nfs/dbraw/zinc/36/17/92/833361792.db2.gz	OZBNMIUGFWXGTM-NXEZZACHSA-N	1	0	323.309	-0.348	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC(N2CCOCC2)C1	ZINC001118879186	829146799	/nfs/dbraw/zinc/14/67/99/829146799.db2.gz	TZRKKMORZQSQJH-UHFFFAOYSA-N	1	0	309.326	-0.229	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)[C@H]2CCCO2)c1	ZINC001118960479	829198017	/nfs/dbraw/zinc/19/80/17/829198017.db2.gz	XPTZNGUXARRXEO-IJLUTSLNSA-N	1	0	300.315	-0.718	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC001121938699	829531171	/nfs/dbraw/zinc/53/11/71/829531171.db2.gz	CKNLFBBINLDJQC-LBPRGKRZSA-N	1	0	322.369	-0.394	20	5		DBBDRO
CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936402	829970700	/nfs/dbraw/zinc/97/07/00/829970700.db2.gz	GACAFIIGHGBBKV-NXEZZACHSA-N	1	0	315.374	-0.545	20	5		DBBDRO
Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1	ZINC001126943959	829971504	/nfs/dbraw/zinc/97/15/04/829971504.db2.gz	XHUKPMRHCXSCEU-NXEZZACHSA-N	1	0	324.341	-0.962	20	5		DBBDRO
Cc1csc(=O)n1CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938904	829971627	/nfs/dbraw/zinc/97/16/27/829971627.db2.gz	MJTFFZZGEZORJE-NXEZZACHSA-N	1	0	314.367	-0.411	20	5		DBBDRO
CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938540	829971818	/nfs/dbraw/zinc/97/18/18/829971818.db2.gz	DHWPWZAWVXYCFE-GHMZBOCLSA-N	1	0	321.399	-0.429	20	5		DBBDRO
O=C(Cn1ncnn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001127433393	830009373	/nfs/dbraw/zinc/00/93/73/830009373.db2.gz	OWVREPNQYHHNBH-UHFFFAOYSA-N	1	0	305.298	-0.513	20	5		DBBDRO
Cn1nnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1	ZINC001132523382	830664069	/nfs/dbraw/zinc/66/40/69/830664069.db2.gz	GYOUQSWFAYELRL-UHFFFAOYSA-N	1	0	311.327	-0.301	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC001146376788	831277649	/nfs/dbraw/zinc/27/76/49/831277649.db2.gz	MLYGGBAHXBVSGX-UONOGXRCSA-N	1	0	322.365	-0.010	20	5		DBBDRO
CCC[N@H+](C)CC(=O)NCCNCc1c([N+](=O)[O-])ncn1C	ZINC001148638959	831467188	/nfs/dbraw/zinc/46/71/88/831467188.db2.gz	VGPXCBMIBONJSX-UHFFFAOYSA-N	1	0	312.374	-0.124	20	5		DBBDRO
COC(=O)c1nc(Cl)nc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-]	ZINC001155346184	831928766	/nfs/dbraw/zinc/92/87/66/831928766.db2.gz	WNBDMZKRPAFTEW-CRCLSJGQSA-N	1	0	317.689	-0.037	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)N1	ZINC001155579250	831941076	/nfs/dbraw/zinc/94/10/76/831941076.db2.gz	DTVQPFMBDINCJF-NOZJJQNGSA-N	1	0	319.325	-0.938	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1	ZINC001155582142	831941690	/nfs/dbraw/zinc/94/16/90/831941690.db2.gz	ZCEPYBPIZLLESZ-RNCFNFMXSA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])n1	ZINC001156240895	831976261	/nfs/dbraw/zinc/97/62/61/831976261.db2.gz	YUPWUWJAWAVIJT-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
O=[N+]([O-])c1c(NC[C@H]2COCCO2)ncnc1N1CC[NH2+]CC1	ZINC001157478315	832045727	/nfs/dbraw/zinc/04/57/27/832045727.db2.gz	SVBJDFAIFVERDH-JTQLQIEISA-N	1	0	324.341	-0.378	20	5		DBBDRO
O=C(NCCC[NH2+]Cc1nnc2n1CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767791	832061548	/nfs/dbraw/zinc/06/15/48/832061548.db2.gz	UUSUTKYZBMJDNY-GHMZBOCLSA-N	1	0	322.369	-0.125	20	5		DBBDRO
Cn1c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnc1C1CC1	ZINC001157760977	832062088	/nfs/dbraw/zinc/06/20/88/832062088.db2.gz	JCNPUYZEDJRZEA-GHMZBOCLSA-N	1	0	322.369	-0.046	20	5		DBBDRO
O=C(NCCC[NH2+]CCCN1CCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775237	832063893	/nfs/dbraw/zinc/06/38/93/832063893.db2.gz	MBGCOUYQTMSDDN-VXGBXAGGSA-N	1	0	312.370	-0.240	20	5		DBBDRO
O=C(Cn1ncnn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001158162825	832093824	/nfs/dbraw/zinc/09/38/24/832093824.db2.gz	BJRRAWUYBSWQRX-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
NC1=CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC=C1	ZINC001160879702	832956325	/nfs/dbraw/zinc/95/63/25/832956325.db2.gz	VGLWYLFLVVLEJJ-UHFFFAOYSA-N	1	0	303.326	-0.029	20	5		DBBDRO
COc1cnc(NCCN(CC[NH3+])N(O)N=O)c([N+](=O)[O-])c1	ZINC001161087404	832973724	/nfs/dbraw/zinc/97/37/24/832973724.db2.gz	MSIOJRWFCXXSLD-UHFFFAOYSA-N	1	0	315.290	-0.041	20	5		DBBDRO
Nc1cc([N+](=O)[O-])cnc1NCCN(CC[NH3+])N(O)N=O	ZINC001161095915	832977526	/nfs/dbraw/zinc/97/75/26/832977526.db2.gz	PCOWZWICOXPGIG-UHFFFAOYSA-N	1	0	300.279	-0.468	20	5		DBBDRO
CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001178458434	833507578	/nfs/dbraw/zinc/50/75/78/833507578.db2.gz	HHAQCADXPSGDDW-GHMZBOCLSA-N	1	0	300.359	-0.336	20	5		DBBDRO
COC[C@]1(CO)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC001194410689	834596048	/nfs/dbraw/zinc/59/60/48/834596048.db2.gz	VSEBTRBCPVKTTB-QWHCGFSZSA-N	1	0	314.342	-0.517	20	5		DBBDRO
NC(=O)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC001254468180	834599304	/nfs/dbraw/zinc/59/93/04/834599304.db2.gz	IGOKTILEXSWNMQ-CYBMUJFWSA-N	1	0	308.338	-0.001	20	5		DBBDRO
NC(=O)[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC001254468191	834599429	/nfs/dbraw/zinc/59/94/29/834599429.db2.gz	IGOKTILEXSWNMQ-ZDUSSCGKSA-N	1	0	308.338	-0.001	20	5		DBBDRO
NC(=O)[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C(N)=O	ZINC001196092050	834756299	/nfs/dbraw/zinc/75/62/99/834756299.db2.gz	FZFJFOFUSQQFPK-IUCAKERBSA-N	1	0	310.285	-0.248	20	5		DBBDRO
NC(=O)[C@@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(N)=O	ZINC001196091750	834756983	/nfs/dbraw/zinc/75/69/83/834756983.db2.gz	BKGFRFSWYBIJED-NXEZZACHSA-N	1	0	310.285	-0.248	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3cncn3C2)c1	ZINC001262558976	834960083	/nfs/dbraw/zinc/96/00/83/834960083.db2.gz	VLSRSFMDKRWUCT-GWCFXTLKSA-N	1	0	306.326	-0.047	20	5		DBBDRO
CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCC1	ZINC001265113420	835093522	/nfs/dbraw/zinc/09/35/22/835093522.db2.gz	MMEKJFWWLAFRIR-VXGBXAGGSA-N	1	0	312.370	-0.288	20	5		DBBDRO
CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001200462050	835130943	/nfs/dbraw/zinc/13/09/43/835130943.db2.gz	RLIBKJOPSDAXBW-VXGBXAGGSA-N	1	0	312.370	-0.242	20	5		DBBDRO
NC(=O)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	ZINC001266083484	835227290	/nfs/dbraw/zinc/22/72/90/835227290.db2.gz	CYLVBTXMWDRKNC-CHWSQXEVSA-N	1	0	320.349	-0.415	20	5		DBBDRO
Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC001203068955	835281334	/nfs/dbraw/zinc/28/13/34/835281334.db2.gz	YVMWBWICJRXIRK-SNVBAGLBSA-N	1	0	309.326	-0.092	20	5		DBBDRO
C[N+](C)(C)CCO[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-]	ZINC001224773627	979583506	/nfs/dbraw/zinc/58/35/06/979583506.db2.gz	LKHLEIAZGICAAN-CYBMUJFWSA-O	1	0	304.412	-0.047	20	5		DBBDRO
CC[N@@H+]1CC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224797842	979586428	/nfs/dbraw/zinc/58/64/28/979586428.db2.gz	UFYFFDMUBCHOSJ-SECBINFHSA-N	1	0	302.287	-0.811	20	5		DBBDRO
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC001330970725	979848324	/nfs/dbraw/zinc/84/83/24/979848324.db2.gz	NOWIFGBKBBLOIY-JTQLQIEISA-N	1	0	309.326	-0.011	20	5		DBBDRO
C[C@H]([NH3+])CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC001348595590	980326820	/nfs/dbraw/zinc/32/68/20/980326820.db2.gz	KVVMBELEYXMLDT-VIFPVBQESA-N	1	0	322.321	-0.352	20	5		DBBDRO
Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC001348953621	980392783	/nfs/dbraw/zinc/39/27/83/980392783.db2.gz	UTIQODMIEZFJQE-PWSUYJOCSA-N	1	0	321.341	-0.343	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(CN2CCOCC2)C1	ZINC001351013470	980619550	/nfs/dbraw/zinc/61/95/50/980619550.db2.gz	UWBNXPIZGHUWLH-UHFFFAOYSA-N	1	0	309.326	-0.268	20	5		DBBDRO
CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCC[NH+](C)C	ZINC001532968583	1014978064	/nfs/dbraw/zinc/97/80/64/1014978064.db2.gz	BHCUOUBSULMTKT-VXGBXAGGSA-N	1	0	314.386	-0.090	20	5		DBBDRO
CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001491017354	1015194180	/nfs/dbraw/zinc/19/41/80/1015194180.db2.gz	IHOWTMWWLWPMTM-WRWGMCAJSA-N	1	0	312.370	-0.339	20	5		DBBDRO
C[NH+]1CCN(CCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1	ZINC001540430693	1015523472	/nfs/dbraw/zinc/52/34/72/1015523472.db2.gz	VKMLKPJIJRPQFS-UHFFFAOYSA-N	1	0	322.369	-0.061	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC001540508400	1015523691	/nfs/dbraw/zinc/52/36/91/1015523691.db2.gz	XOGKFEXBIJPNBP-CQSZACIVSA-N	1	0	322.365	-0.008	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)n1	ZINC001540588583	1015523757	/nfs/dbraw/zinc/52/37/57/1015523757.db2.gz	UMSJIOPZXPZLKD-UHFFFAOYSA-N	1	0	310.358	-0.212	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1	ZINC001558042535	1015966299	/nfs/dbraw/zinc/96/62/99/1015966299.db2.gz	DIDQPUJPLJLDKY-ZDUSSCGKSA-N	1	0	309.326	-0.289	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001443897681	1007958997	/nfs/dbraw/zinc/95/89/97/1007958997.db2.gz	OBKWSFLKLVZCOW-LLVKDONJSA-N	1	0	323.353	-0.882	20	5		DBBDRO
C[NH+]1CCC(CCO)(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001447225152	1008962078	/nfs/dbraw/zinc/96/20/78/1008962078.db2.gz	VQUNQOJHPCNGTP-UHFFFAOYSA-N	1	0	311.342	-0.246	20	5		DBBDRO
COC(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC001460749632	1009106099	/nfs/dbraw/zinc/10/60/99/1009106099.db2.gz	UJRWBCUVCSUVSI-GXSJLCMTSA-N	1	0	313.314	-0.418	20	5		DBBDRO
O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(COCCO)CC2)c1	ZINC001460798990	1009109760	/nfs/dbraw/zinc/10/97/60/1009109760.db2.gz	CHLJZVWLYISJMQ-UHFFFAOYSA-N	1	0	314.342	-0.373	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001467810864	1009523976	/nfs/dbraw/zinc/52/39/76/1009523976.db2.gz	GELNXIYFNVUEFF-RYUDHWBXSA-N	1	0	323.353	-0.233	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001472083916	1009863848	/nfs/dbraw/zinc/86/38/48/1009863848.db2.gz	VOZVMPHPVVRWHB-MRVPVSSYSA-N	1	0	307.310	-0.225	20	5		DBBDRO
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001472259697	1009876609	/nfs/dbraw/zinc/87/66/09/1009876609.db2.gz	SUKOUAKDGAUYGL-QWRGUYRKSA-N	1	0	309.326	-0.011	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]n1	ZINC001481251810	1010874537	/nfs/dbraw/zinc/87/45/37/1010874537.db2.gz	GBLSWHCHFFKEBT-UHFFFAOYSA-N	1	0	308.302	-0.692	20	5		DBBDRO
O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NC1CC1	ZINC001482218234	1011091319	/nfs/dbraw/zinc/09/13/19/1011091319.db2.gz	KRQNCEOKUOEFDL-VXGBXAGGSA-N	1	0	324.381	-0.051	20	5		DBBDRO
O=C(NCC1([NH2+]CCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001483732148	1012099037	/nfs/dbraw/zinc/09/90/37/1012099037.db2.gz	DRARPOVZPFCFCD-VXGBXAGGSA-N	1	0	324.381	-0.098	20	5		DBBDRO
C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1CO	ZINC001604866964	1018471926	/nfs/dbraw/zinc/47/19/26/1018471926.db2.gz	GZMSTVPVWXKLAN-SNVBAGLBSA-N	1	0	319.325	-0.112	20	5		DBBDRO
O=C(N[C@H]1C[C@H](C[NH2+]CCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001506883108	1019982145	/nfs/dbraw/zinc/98/21/45/1019982145.db2.gz	DMRIAMLJYGIFBJ-FDYHWXHSSA-N	1	0	324.381	-0.242	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1	ZINC001579349729	1020426948	/nfs/dbraw/zinc/42/69/48/1020426948.db2.gz	SAXZPYYNBCASFY-LBPRGKRZSA-N	1	0	320.313	-0.352	20	5		DBBDRO
Cc1nn(CCC(=O)NC[C@H]2COCC[NH2+]2)c(C)c1[N+](=O)[O-]	ZINC001579895708	1020587028	/nfs/dbraw/zinc/58/70/28/1020587028.db2.gz	REBSSMMKPFAPOQ-NSHDSACASA-N	1	0	311.342	-0.097	20	5		DBBDRO
[NH3+]C[C@@]1(CO)COCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC001580244474	1020674059	/nfs/dbraw/zinc/67/40/59/1020674059.db2.gz	YGEXRXVWXHOIEN-CYBMUJFWSA-N	1	0	313.285	-0.104	20	5		DBBDRO
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001580569717	1020752296	/nfs/dbraw/zinc/75/22/96/1020752296.db2.gz	BMDBCHNFVBPNMQ-LLVKDONJSA-N	1	0	318.333	-0.174	20	5		DBBDRO
O=C(N[C@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccc([N+](=O)[O-])s1	ZINC001580599286	1020759704	/nfs/dbraw/zinc/75/97/04/1020759704.db2.gz	VESJYXJSYNMZIT-ZETCQYMHSA-N	1	0	310.335	-0.041	20	5		DBBDRO
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1O	ZINC001580874926	1020812201	/nfs/dbraw/zinc/81/22/01/1020812201.db2.gz	PIAXNKAALXCPOQ-IUCAKERBSA-N	1	0	319.314	-0.265	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC001591012701	1021637268	/nfs/dbraw/zinc/63/72/68/1021637268.db2.gz	WBPDPDISQCAQOY-GFCCVEGCSA-N	1	0	322.329	-0.106	20	5		DBBDRO
O=C(CCC[NH+]1CCCC1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001522628660	1021822653	/nfs/dbraw/zinc/82/26/53/1021822653.db2.gz	ULTFQEQQOCARLA-VXGBXAGGSA-N	1	0	312.370	-0.240	20	5		DBBDRO
Nc1ncc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1[N+](=O)[O-]	ZINC001558549348	1023964138	/nfs/dbraw/zinc/96/41/38/1023964138.db2.gz	ARDRRVNCPVAYSL-SECBINFHSA-N	1	0	307.310	-0.225	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC001558702414	1023969754	/nfs/dbraw/zinc/96/97/54/1023969754.db2.gz	RHYZLSWQTPSBGM-QWRGUYRKSA-N	1	0	323.353	-0.001	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC001567317858	1024628990	/nfs/dbraw/zinc/62/89/90/1024628990.db2.gz	YWBRXTPRIKTNEN-TZMCWYRMSA-N	1	0	309.322	-0.189	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccnnc1	ZINC001567564934	1024790518	/nfs/dbraw/zinc/79/05/18/1024790518.db2.gz	INTDZBIQQDTBQA-UHFFFAOYSA-N	1	0	319.325	-0.020	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1	ZINC000569138152	412516612	/nfs/dbraw/zinc/51/66/12/412516612.db2.gz	RLNNGJFLTWUNHN-UHFFFAOYSA-N	1	0	322.369	-0.109	20	5		DBBDRO
Nc1nccc(C(=O)NC[C@@H]2CN3CCN2CC3)c1[N+](=O)[O-]	ZINC000581675007	412521550	/nfs/dbraw/zinc/52/15/50/412521550.db2.gz	FJOGCRIZJYRVBF-SECBINFHSA-N	1	0	306.326	-0.698	20	5		DBBDRO
Nc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-]	ZINC000596539232	412523233	/nfs/dbraw/zinc/52/32/33/412523233.db2.gz	NBGDHKCLRMREBC-SNVBAGLBSA-N	1	0	308.342	0.002	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000358096384	138148529	/nfs/dbraw/zinc/14/85/29/138148529.db2.gz	QYGKALFLZYDVSY-AWEZNQCLSA-N	1	0	322.321	-0.284	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000371765923	138163578	/nfs/dbraw/zinc/16/35/78/138163578.db2.gz	LZOFTQHBQUIPIA-VXGBXAGGSA-N	1	0	313.354	-0.663	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000372934239	138170370	/nfs/dbraw/zinc/17/03/70/138170370.db2.gz	ROZFRQJLMNRBMY-NEPJUHHUSA-N	1	0	323.353	-0.151	20	5		DBBDRO
CCN1C(=O)[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O	ZINC000375882614	138184951	/nfs/dbraw/zinc/18/49/51/138184951.db2.gz	SHLKVWOANXRDBV-SNVBAGLBSA-N	1	0	322.325	-0.240	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000237959774	283420778	/nfs/dbraw/zinc/42/07/78/283420778.db2.gz	PBZCSBQOLCMZKV-UHFFFAOYSA-N	1	0	321.337	-0.682	20	5		DBBDRO
NS(=O)(=O)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000089992292	283558776	/nfs/dbraw/zinc/55/87/76/283558776.db2.gz	XSSJZAOJSVOWAG-UHFFFAOYSA-N	1	0	317.371	-0.208	20	5		DBBDRO
CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000563137896	284025802	/nfs/dbraw/zinc/02/58/02/284025802.db2.gz	KKSMEOGNEHNTFH-NWDGAFQWSA-N	1	0	313.354	-0.153	20	5		DBBDRO
C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000563144127	284026496	/nfs/dbraw/zinc/02/64/96/284026496.db2.gz	PHZHGRMUKLYGOC-DTWKUNHWSA-N	1	0	312.330	-0.851	20	5		DBBDRO
[NH3+][C@@H]1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000563614557	284045007	/nfs/dbraw/zinc/04/50/07/284045007.db2.gz	PUQOXBOBDGKSPS-SNVBAGLBSA-N	1	0	322.321	-0.351	20	5		DBBDRO
CC(C)(O)C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000358473307	374327305	/nfs/dbraw/zinc/32/73/05/374327305.db2.gz	WKKYTAYICJMKJP-UHFFFAOYSA-N	1	0	312.330	-0.899	20	5		DBBDRO
CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000578377149	374396572	/nfs/dbraw/zinc/39/65/72/374396572.db2.gz	GRWNLTLCZAADNH-SNVBAGLBSA-N	1	0	314.346	-0.605	20	5		DBBDRO
C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247181780	374414772	/nfs/dbraw/zinc/41/47/72/374414772.db2.gz	BJKMKCXSQHTEAF-CKYFFXLPSA-N	1	0	311.342	-0.262	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@H](C(N)=O)C2)c1	ZINC000360143130	374470513	/nfs/dbraw/zinc/47/05/13/374470513.db2.gz	HDTSEYAXQWQUCH-VIFPVBQESA-N	1	0	308.294	-0.355	20	5		DBBDRO
O=C1CCCN1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000610335877	374682942	/nfs/dbraw/zinc/68/29/42/374682942.db2.gz	YKUJILXIDDQPTF-GFCCVEGCSA-N	1	0	311.342	-0.246	20	5		DBBDRO
Cc1nn(CCC(=O)N[C@@H](CO)C[NH+](C)C)c(C)c1[N+](=O)[O-]	ZINC000588867223	374768944	/nfs/dbraw/zinc/76/89/44/374768944.db2.gz	ZISQZRBEHKKNOO-LLVKDONJSA-N	1	0	313.358	-0.163	20	5		DBBDRO
Cc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000588863602	374769451	/nfs/dbraw/zinc/76/94/51/374769451.db2.gz	RGBDITXRECXCIV-ZJUUUORDSA-N	1	0	309.326	-0.093	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000262372292	374838465	/nfs/dbraw/zinc/83/84/65/374838465.db2.gz	LURKMLKFUJPARO-NSHDSACASA-N	1	0	308.342	-0.703	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000263655096	374922208	/nfs/dbraw/zinc/92/22/08/374922208.db2.gz	CKXZEOLZLBCGGE-UHFFFAOYSA-N	1	0	309.330	-0.823	20	5		DBBDRO
Cc1nn(C)c(N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-]	ZINC000263761715	374924221	/nfs/dbraw/zinc/92/42/21/374924221.db2.gz	UZXUVHAQOFREDY-UHFFFAOYSA-N	1	0	310.358	-0.153	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(=O)N(C)C)CC1	ZINC000611567735	375000906	/nfs/dbraw/zinc/00/09/06/375000906.db2.gz	YROLPUMIXNWWBW-UHFFFAOYSA-N	1	0	324.385	-0.194	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000076269917	375007130	/nfs/dbraw/zinc/00/71/30/375007130.db2.gz	TYOMAAUCDJPOPU-VIFPVBQESA-N	1	0	323.357	-0.034	20	5		DBBDRO
O=C1C[C@]2(CN1)CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000362410270	375009733	/nfs/dbraw/zinc/00/97/33/375009733.db2.gz	MLEKJURHQHVPOX-JSGCOSHPSA-N	1	0	323.353	-0.246	20	5		DBBDRO
O=C1CNCCN1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000362831956	375031178	/nfs/dbraw/zinc/03/11/78/375031178.db2.gz	VBBUSGQNVVPWPG-GFCCVEGCSA-N	1	0	322.369	-0.313	20	5		DBBDRO
C[NH+](C)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000082250960	375157740	/nfs/dbraw/zinc/15/77/40/375157740.db2.gz	NHKAURWQSUCQEW-UHFFFAOYSA-N	1	0	320.305	-0.131	20	5		DBBDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000264489022	375532604	/nfs/dbraw/zinc/53/26/04/375532604.db2.gz	JCLPBGPMGOJYTI-LLVKDONJSA-N	1	0	324.337	-0.407	20	5		DBBDRO
CN(C)CC[N@H+](C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000290671556	375528227	/nfs/dbraw/zinc/52/82/27/375528227.db2.gz	PIVYHZRDGQTOLB-UHFFFAOYSA-N	1	0	312.374	-0.209	20	5		DBBDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000264715344	375618571	/nfs/dbraw/zinc/61/85/71/375618571.db2.gz	FIKBQEUGIYCGDR-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOC[C@H]2CCCO2)c1	ZINC000591740132	375744784	/nfs/dbraw/zinc/74/47/84/375744784.db2.gz	WCYDCZFCFQTDRC-QWHCGFSZSA-N	1	0	314.342	-0.063	20	5		DBBDRO
C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000591749080	375745469	/nfs/dbraw/zinc/74/54/69/375745469.db2.gz	FSUWRYOZDYLPFF-KGYLQXTDSA-N	1	0	314.342	-0.064	20	5		DBBDRO
C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000591749082	375745954	/nfs/dbraw/zinc/74/59/54/375745954.db2.gz	FSUWRYOZDYLPFF-RTXFEEFZSA-N	1	0	314.342	-0.064	20	5		DBBDRO
C[C@H]([NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O	ZINC000592332937	375795338	/nfs/dbraw/zinc/79/53/38/375795338.db2.gz	AIEULXOSLUISPX-QMMMGPOBSA-N	1	0	308.294	-0.216	20	5		DBBDRO
C[C@@](O)(CO)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592431087	375805998	/nfs/dbraw/zinc/80/59/98/375805998.db2.gz	ZJEXLCPYACQFIB-YPMHNXCESA-N	1	0	300.311	-0.333	20	5		DBBDRO
CSC[C@@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000592431125	375806004	/nfs/dbraw/zinc/80/60/04/375806004.db2.gz	NOICMPGECGTDSC-KOLCDFICSA-N	1	0	304.372	-0.144	20	5		DBBDRO
C[C@](O)(CO)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592431086	375806112	/nfs/dbraw/zinc/80/61/12/375806112.db2.gz	ZJEXLCPYACQFIB-WCQYABFASA-N	1	0	300.311	-0.333	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000592550898	375811871	/nfs/dbraw/zinc/81/18/71/375811871.db2.gz	IXZHZMJDQGAVBE-SECBINFHSA-N	1	0	311.298	-0.845	20	5		DBBDRO
CCO[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C[NH3+]	ZINC000593916733	375901856	/nfs/dbraw/zinc/90/18/56/375901856.db2.gz	OLBLMFZIYFFBOB-ZYHUDNBSSA-N	1	0	324.337	-0.421	20	5		DBBDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1	ZINC000595108180	375973405	/nfs/dbraw/zinc/97/34/05/375973405.db2.gz	IVEJIDGZRWDSFI-WCBMZHEXSA-N	1	0	316.339	-0.274	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)nc1	ZINC000595109837	375973599	/nfs/dbraw/zinc/97/35/99/375973599.db2.gz	VATLCFHNSQUCOU-SECBINFHSA-N	1	0	302.312	-0.744	20	5		DBBDRO
CCn1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])n1	ZINC000595121361	375975261	/nfs/dbraw/zinc/97/52/61/375975261.db2.gz	PCZNBXBNENCVAV-UHFFFAOYSA-N	1	0	315.355	-0.159	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594394650	375923902	/nfs/dbraw/zinc/92/39/02/375923902.db2.gz	YYTFLHJCTSOZNE-WDEREUQCSA-N	1	0	309.326	-0.623	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594391685	375923980	/nfs/dbraw/zinc/92/39/80/375923980.db2.gz	BYVCZYRXZZRMCT-NWDGAFQWSA-N	1	0	322.321	-0.966	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1	ZINC000595609644	376023914	/nfs/dbraw/zinc/02/39/14/376023914.db2.gz	ZPJQNFGPNZCLDB-WCQYABFASA-N	1	0	321.341	-0.234	20	5		DBBDRO
COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000595661083	376028029	/nfs/dbraw/zinc/02/80/29/376028029.db2.gz	DEZHVXYOOXKQRC-OUAUKWLOSA-N	1	0	314.298	-0.928	20	5		DBBDRO
CO[C@@]1(CO)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000595662162	376028319	/nfs/dbraw/zinc/02/83/19/376028319.db2.gz	NHWHNXAFZNNPKT-STQMWFEESA-N	1	0	314.342	-0.375	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COCCO1	ZINC000595738483	376029646	/nfs/dbraw/zinc/02/96/46/376029646.db2.gz	JDILLBIXDWNDDG-NWDGAFQWSA-N	1	0	300.315	-0.501	20	5		DBBDRO
[NH3+]CCn1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)nn1	ZINC000595915763	376047432	/nfs/dbraw/zinc/04/74/32/376047432.db2.gz	NHJQFNGGPIOFDN-UHFFFAOYSA-N	1	0	319.325	-0.013	20	5		DBBDRO
C[NH+](C)[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000596507120	376087153	/nfs/dbraw/zinc/08/71/53/376087153.db2.gz	UIGLDFJCAGYKFU-QWRGUYRKSA-N	1	0	312.330	-0.892	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000597575486	376150637	/nfs/dbraw/zinc/15/06/37/376150637.db2.gz	ZFFVEWMJHATFMK-LBPRGKRZSA-N	1	0	312.330	-0.899	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000597627022	376155494	/nfs/dbraw/zinc/15/54/94/376155494.db2.gz	WVPIWLXPSAQBHW-SNVBAGLBSA-N	1	0	308.342	-0.552	20	5		DBBDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000597652459	376160376	/nfs/dbraw/zinc/16/03/76/376160376.db2.gz	CEYCECFOJVUNSJ-MRVPVSSYSA-N	1	0	311.294	-0.024	20	5		DBBDRO
C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000597693489	376164861	/nfs/dbraw/zinc/16/48/61/376164861.db2.gz	FDGYCKUGKFMAJJ-QWRGUYRKSA-N	1	0	324.341	-0.492	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000567667729	376217540	/nfs/dbraw/zinc/21/75/40/376217540.db2.gz	OKTLVFBROGHZBZ-UHFFFAOYSA-N	1	0	324.341	-0.962	20	5		DBBDRO
CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1	ZINC000598913874	376228985	/nfs/dbraw/zinc/22/89/85/376228985.db2.gz	QQOZUEVLFRTRMS-GFCCVEGCSA-N	1	0	321.337	-0.365	20	5		DBBDRO
[NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOCC1	ZINC000599102322	376244997	/nfs/dbraw/zinc/24/49/97/376244997.db2.gz	KATFGVNRCKNGCF-UHFFFAOYSA-N	1	0	316.339	-0.224	20	5		DBBDRO
C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599109680	376246363	/nfs/dbraw/zinc/24/63/63/376246363.db2.gz	VUISXXHSBKEJAE-JGVFFNPUSA-N	1	0	303.344	-0.301	20	5		DBBDRO
CCn1cc(S(=O)(=O)NCCOCC[NH2+]C)c([N+](=O)[O-])n1	ZINC000599107187	376246640	/nfs/dbraw/zinc/24/66/40/376246640.db2.gz	JZVNNCVVBHALKM-UHFFFAOYSA-N	1	0	321.359	-0.675	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)n1	ZINC000599108602	376246735	/nfs/dbraw/zinc/24/67/35/376246735.db2.gz	OREZKVWXWABPDI-DTWKUNHWSA-N	1	0	315.355	-0.299	20	5		DBBDRO
C[NH2+][C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC000599107601	376246926	/nfs/dbraw/zinc/24/69/26/376246926.db2.gz	MIKUPROKANUVIZ-MRVPVSSYSA-N	1	0	303.344	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)n1	ZINC000599333237	376282720	/nfs/dbraw/zinc/28/27/20/376282720.db2.gz	ZITFWIKLUWWTQQ-MRVPVSSYSA-N	1	0	303.344	-0.442	20	5		DBBDRO
C[C@@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C	ZINC000599338865	376278722	/nfs/dbraw/zinc/27/87/22/376278722.db2.gz	IFBWVXIBVFQSPY-QMMMGPOBSA-N	1	0	305.360	-0.053	20	5		DBBDRO
Cc1c(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-]	ZINC000599899499	376343051	/nfs/dbraw/zinc/34/30/51/376343051.db2.gz	LSMHBGFWLPENAQ-JTQLQIEISA-N	1	0	322.321	-0.054	20	5		DBBDRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1	ZINC000599898053	376343521	/nfs/dbraw/zinc/34/35/21/376343521.db2.gz	HUMWOUVWCYNDHK-SNVBAGLBSA-N	1	0	322.321	-0.054	20	5		DBBDRO
O=C1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCCN12	ZINC000568859500	376607853	/nfs/dbraw/zinc/60/78/53/376607853.db2.gz	MXZNJQTXDRFRQW-FRRDWIJNSA-N	1	0	323.353	-0.105	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[NH2+]CCN1C	ZINC000568990789	376615414	/nfs/dbraw/zinc/61/54/14/376615414.db2.gz	DXCTXSVZGKDVQP-LLVKDONJSA-N	1	0	310.358	-0.490	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)n1	ZINC000569720748	376690159	/nfs/dbraw/zinc/69/01/59/376690159.db2.gz	IMYQRLFOLSNBDF-NSHDSACASA-N	1	0	322.369	-0.069	20	5		DBBDRO
COC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000571801269	376768113	/nfs/dbraw/zinc/76/81/13/376768113.db2.gz	SSBPHAXDFDXXGD-JQWIXIFHSA-N	1	0	314.294	-0.542	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000337385750	376816922	/nfs/dbraw/zinc/81/69/22/376816922.db2.gz	FBAWWJPVPSQRHW-ZDUSSCGKSA-N	1	0	312.326	-0.815	20	5		DBBDRO
CC(C)N1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000572356359	376895750	/nfs/dbraw/zinc/89/57/50/376895750.db2.gz	HGOVGGQBXJJDBH-CMPLNLGQSA-N	1	0	311.342	-0.249	20	5		DBBDRO
CC(C)N1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000572356360	376896158	/nfs/dbraw/zinc/89/61/58/376896158.db2.gz	HGOVGGQBXJJDBH-JQWIXIFHSA-N	1	0	311.342	-0.249	20	5		DBBDRO
C[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000261830662	377262130	/nfs/dbraw/zinc/26/21/30/377262130.db2.gz	NCKYWYBNDUDREL-MRVPVSSYSA-N	1	0	316.339	-0.664	20	5		DBBDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1	ZINC000356890511	378115031	/nfs/dbraw/zinc/11/50/31/378115031.db2.gz	DEILHVBZMBMIIN-UWVGGRQHSA-N	1	0	312.330	-0.900	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1	ZINC000323056535	378359341	/nfs/dbraw/zinc/35/93/41/378359341.db2.gz	ISHVPBFZZGMULV-UHFFFAOYSA-N	1	0	322.369	-0.109	20	5		DBBDRO
C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000185886702	379762543	/nfs/dbraw/zinc/76/25/43/379762543.db2.gz	FKKHZDKTNBZTCP-WCQYABFASA-N	1	0	311.342	-0.118	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)NCCCN1CC[NH2+]CC1	ZINC000238090316	380517719	/nfs/dbraw/zinc/51/77/19/380517719.db2.gz	JOKUHGCNHWUKFX-UHFFFAOYSA-N	1	0	310.358	-0.407	20	5		DBBDRO
O=C1NCC[C@@]12CCC[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000577409206	380565389	/nfs/dbraw/zinc/56/53/89/380565389.db2.gz	SSNWLRCUKXUAKK-AAEUAGOBSA-N	1	0	309.326	-0.493	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2CO)c1	ZINC000270681939	381010013	/nfs/dbraw/zinc/01/00/13/381010013.db2.gz	VFJLEEHQBHVWFW-YNEHKIRRSA-N	1	0	312.322	-0.238	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000274154823	382457786	/nfs/dbraw/zinc/45/77/86/382457786.db2.gz	JNCHACORGSTPLD-GRYCIOLGSA-N	1	0	312.322	-0.238	20	5		DBBDRO
O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000419889902	382503666	/nfs/dbraw/zinc/50/36/66/382503666.db2.gz	SNZOHDPSUVOLBB-LBPRGKRZSA-N	1	0	318.333	-0.042	20	5		DBBDRO
COC(=O)c1ccc(S(=O)(=O)NCC[NH3+])cc1[N+](=O)[O-]	ZINC000420399016	382508722	/nfs/dbraw/zinc/50/87/22/382508722.db2.gz	AYNSDHNNQUQABD-UHFFFAOYSA-N	1	0	303.296	-0.382	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000277697244	382590070	/nfs/dbraw/zinc/59/00/70/382590070.db2.gz	KLSPVRGQUUBCPX-JTQLQIEISA-N	1	0	309.326	-0.329	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000330690311	382596688	/nfs/dbraw/zinc/59/66/88/382596688.db2.gz	FQEPTKWMWYXGEG-LLVKDONJSA-N	1	0	310.358	-0.457	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@@H]2CO)c1	ZINC000330820485	382598059	/nfs/dbraw/zinc/59/80/59/382598059.db2.gz	FKSXRBDWHNSBEI-QWRGUYRKSA-N	1	0	302.356	-0.438	20	5		DBBDRO
Cn1cc(CN2CCC[C@@H](N3CCNCC3=O)C2)c([N+](=O)[O-])n1	ZINC000603427695	382640502	/nfs/dbraw/zinc/64/05/02/382640502.db2.gz	DKOQUHVPQNNWLI-GFCCVEGCSA-N	1	0	322.369	-0.276	20	5		DBBDRO
CO[C@H](C[NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000353478229	382641127	/nfs/dbraw/zinc/64/11/27/382641127.db2.gz	FBTJUZVHBZGLHQ-MWLCHTKSSA-N	1	0	309.326	-0.024	20	5		DBBDRO
COC(=O)COc1ccc(C[NH2+]C(CO)CO)cc1[N+](=O)[O-]	ZINC000353758615	382641755	/nfs/dbraw/zinc/64/17/55/382641755.db2.gz	MUVIJNHZLKHYPE-UHFFFAOYSA-N	1	0	314.294	-0.411	20	5		DBBDRO
C[NH+](C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000353896331	382641985	/nfs/dbraw/zinc/64/19/85/382641985.db2.gz	FSLBGMHXNRLRAA-UHFFFAOYSA-N	1	0	322.321	-0.002	20	5		DBBDRO
CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)n1cc([N+](=O)[O-])cn1	ZINC000600809546	382636750	/nfs/dbraw/zinc/63/67/50/382636750.db2.gz	UJPLIIYVKOBMDT-NSHDSACASA-N	1	0	311.342	-0.291	20	5		DBBDRO
O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1	ZINC000600762989	382636773	/nfs/dbraw/zinc/63/67/73/382636773.db2.gz	YQFOMWXSZNJROG-OLZOCXBDSA-N	1	0	323.353	-0.105	20	5		DBBDRO
C[NH+]1CCC(CCO)(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000354146285	220549248	/nfs/dbraw/zinc/54/92/48/220549248.db2.gz	AJTRSIWRGBJMKY-UHFFFAOYSA-N	1	0	311.342	-0.246	20	5		DBBDRO
CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000362009245	220796213	/nfs/dbraw/zinc/79/62/13/220796213.db2.gz	ANUDJLLBWJKJEI-JHJVBQTASA-N	1	0	314.342	-0.064	20	5		DBBDRO
CC[N@H+](CCO)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000274593591	130247039	/nfs/dbraw/zinc/24/70/39/130247039.db2.gz	VQQVTYQKEJEPHB-UHFFFAOYSA-N	1	0	312.326	-0.813	20	5		DBBDRO
C[NH2+][C@@H](C)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000418863986	392139373	/nfs/dbraw/zinc/13/93/73/392139373.db2.gz	HTWKWSXWYSNAOO-JTQLQIEISA-N	1	0	308.338	-0.022	20	5		DBBDRO
[NH3+][C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000428945510	392148327	/nfs/dbraw/zinc/14/83/27/392148327.db2.gz	YUMCASXGIXBBEK-VIFPVBQESA-N	1	0	320.305	-0.120	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CC[NH2+]CC1	ZINC000428771552	392148371	/nfs/dbraw/zinc/14/83/71/392148371.db2.gz	ISZZKCCXGQPIIS-UHFFFAOYSA-N	1	0	310.358	-0.489	20	5		DBBDRO
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C	ZINC000552081185	392130077	/nfs/dbraw/zinc/13/00/77/392130077.db2.gz	AVQMYJDPKDDSQN-SECBINFHSA-N	1	0	309.326	-0.214	20	5		DBBDRO
C[NH+](C)C1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1	ZINC000273321507	392134853	/nfs/dbraw/zinc/13/48/53/392134853.db2.gz	PJCHJJLUOADSNH-UHFFFAOYSA-N	1	0	300.340	-0.008	20	5		DBBDRO
C[NH+](C)C1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1	ZINC000273461565	392135774	/nfs/dbraw/zinc/13/57/74/392135774.db2.gz	IIALRUSHPFITCC-UHFFFAOYSA-N	1	0	300.340	-0.008	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000394457072	392362929	/nfs/dbraw/zinc/36/29/29/392362929.db2.gz	OSLCASDNJCHSGB-LLVKDONJSA-N	1	0	314.367	-0.223	20	5		DBBDRO
COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1	ZINC000490052929	392475958	/nfs/dbraw/zinc/47/59/58/392475958.db2.gz	IPTSUACKVGQXLB-DGCLKSJQSA-N	1	0	314.342	-0.111	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CC[NH2+]C2)cc1	ZINC000415073347	393473295	/nfs/dbraw/zinc/47/32/95/393473295.db2.gz	AXWFPODPCZXXKS-JTQLQIEISA-N	1	0	314.367	-0.175	20	5		DBBDRO
COC(=O)c1cc(C)nc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-]	ZINC000599199181	412377224	/nfs/dbraw/zinc/37/72/24/412377224.db2.gz	GSTNOVOTGGKCDL-JTQLQIEISA-N	1	0	324.337	0.563	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1	ZINC000597574620	412475972	/nfs/dbraw/zinc/47/59/72/412475972.db2.gz	RDFKLUTVHMDPKD-AWEZNQCLSA-N	1	0	323.353	0.101	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1C[NH2+]C1	ZINC000415741998	544597154	/nfs/dbraw/zinc/59/71/54/544597154.db2.gz	ZKGRBCSUAUAOAN-UHFFFAOYSA-N	1	0	308.294	-0.028	20	5		DBBDRO
CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000430270390	266002711	/nfs/dbraw/zinc/00/27/11/266002711.db2.gz	BOBYIMXMMZZHIA-AAEUAGOBSA-N	1	0	311.342	-0.390	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000430651754	266009042	/nfs/dbraw/zinc/00/90/42/266009042.db2.gz	MBDSOVMGKWMQHV-JTQLQIEISA-N	1	0	310.358	-0.385	20	5		DBBDRO
O=C(COC1C[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000430773803	266013219	/nfs/dbraw/zinc/01/32/19/266013219.db2.gz	ASPSQKLSAJREEQ-SNVBAGLBSA-N	1	0	321.337	-0.009	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CCN2C1=O	ZINC000515870682	266276219	/nfs/dbraw/zinc/27/62/19/266276219.db2.gz	VSTAYBUXPBSTII-BDAKNGLRSA-N	1	0	320.309	-0.813	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CCN2C1=O	ZINC000515870685	266276447	/nfs/dbraw/zinc/27/64/47/266276447.db2.gz	VSTAYBUXPBSTII-RKDXNWHRSA-N	1	0	320.309	-0.813	20	5		DBBDRO
O=C(NCCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000516768232	266285154	/nfs/dbraw/zinc/28/51/54/266285154.db2.gz	OCIHPKZOZGGYJX-UHFFFAOYSA-N	1	0	309.326	-0.280	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000517257555	266293421	/nfs/dbraw/zinc/29/34/21/266293421.db2.gz	UPDXYKQONQHVNP-CYBMUJFWSA-N	1	0	309.326	-0.636	20	5		DBBDRO
[NH3+]CCCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000519755502	266314635	/nfs/dbraw/zinc/31/46/35/266314635.db2.gz	UQHVDUDQLUARKG-UHFFFAOYSA-N	1	0	310.310	-0.445	20	5		DBBDRO
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000566496290	332457290	/nfs/dbraw/zinc/45/72/90/332457290.db2.gz	QPWRSRFBJDBMEF-WCBMZHEXSA-N	1	0	319.321	-0.439	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000580184028	332990398	/nfs/dbraw/zinc/99/03/98/332990398.db2.gz	RSHASDGXPWINPQ-JTQLQIEISA-N	1	0	310.358	-0.454	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)CN2CCCC2)c1	ZINC000566233103	341551458	/nfs/dbraw/zinc/55/14/58/341551458.db2.gz	XRRHFMVDKQOJGF-YPMHNXCESA-N	1	0	313.358	-0.802	20	5		DBBDRO
COc1cccc(C(=O)NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000576863795	341866693	/nfs/dbraw/zinc/86/66/93/341866693.db2.gz	QENWQMSROUZVAP-UHFFFAOYSA-N	1	0	322.321	-0.235	20	5		DBBDRO
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C[C@@H](O)[C@H](O)C1	ZINC000444703893	534325439	/nfs/dbraw/zinc/32/54/39/534325439.db2.gz	KIOJSBMSBJTURP-VXGBXAGGSA-N	1	0	323.305	-0.070	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000337573196	521880313	/nfs/dbraw/zinc/88/03/13/521880313.db2.gz	SSWORAUBXMKGDI-CYBMUJFWSA-N	1	0	313.358	-0.045	20	5		DBBDRO
[NH3+]CCNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000418798576	534628942	/nfs/dbraw/zinc/62/89/42/534628942.db2.gz	BGAUHASYOJNKEA-UHFFFAOYSA-N	1	0	314.729	-0.018	20	5		DBBDRO
CO[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C[NH3+])C1	ZINC000359226649	523991177	/nfs/dbraw/zinc/99/11/77/523991177.db2.gz	MUPISJQUFODXEG-RYUDHWBXSA-N	1	0	324.337	-0.279	20	5		DBBDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])nn1C	ZINC000347095538	525700123	/nfs/dbraw/zinc/70/01/23/525700123.db2.gz	RQMAURKKWZOFTJ-NXEZZACHSA-N	1	0	311.342	-0.145	20	5		DBBDRO
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000364499530	526560423	/nfs/dbraw/zinc/56/04/23/526560423.db2.gz	FHIPJRSCIQJZPD-YUSALJHKSA-N	1	0	321.337	-0.275	20	5		DBBDRO
O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCNC1=O	ZINC000365122499	526732854	/nfs/dbraw/zinc/73/28/54/526732854.db2.gz	LTEIEDDINJSYMY-UHFFFAOYSA-N	1	0	322.325	-0.020	20	5		DBBDRO
O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000331457977	527075871	/nfs/dbraw/zinc/07/58/71/527075871.db2.gz	FJKALWZPYKHKNU-QJPTWQEYSA-N	1	0	309.326	-0.637	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[NH+]1CCC(O)CC1	ZINC000345540098	527378848	/nfs/dbraw/zinc/37/88/48/527378848.db2.gz	GOGDGYZSYIYTNB-UHFFFAOYSA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1	ZINC000157371436	527392418	/nfs/dbraw/zinc/39/24/18/527392418.db2.gz	QJDXBJINZNOISU-SNVBAGLBSA-N	1	0	301.324	-0.139	20	5		DBBDRO
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1	ZINC000331785935	527393295	/nfs/dbraw/zinc/39/32/95/527393295.db2.gz	FJWQQAYFPNCOSS-NWDGAFQWSA-N	1	0	313.335	-0.044	20	5		DBBDRO
O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266504130	527491902	/nfs/dbraw/zinc/49/19/02/527491902.db2.gz	BDGXTFKNSZRKNM-QWHCGFSZSA-N	1	0	323.353	-0.105	20	5		DBBDRO
O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266504128	527493147	/nfs/dbraw/zinc/49/31/47/527493147.db2.gz	BDGXTFKNSZRKNM-CHWSQXEVSA-N	1	0	323.353	-0.105	20	5		DBBDRO
COCC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000048428491	664158475	/nfs/dbraw/zinc/15/84/75/664158475.db2.gz	AWWLHCGWCOENIO-UHFFFAOYSA-N	1	0	311.342	-0.028	20	5		DBBDRO
CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001022064064	664205078	/nfs/dbraw/zinc/20/50/78/664205078.db2.gz	UATOCJJGKXEENR-LMLFDSFASA-N	1	0	308.342	-0.300	20	5		DBBDRO
CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001020140060	665106604	/nfs/dbraw/zinc/10/66/04/665106604.db2.gz	WILSOZXKNCLGEU-CNVPUSNMSA-N	1	0	308.342	-0.300	20	5		DBBDRO
NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21	ZINC001025996568	665118743	/nfs/dbraw/zinc/11/87/43/665118743.db2.gz	XVQCCQPAXDWPOK-IAZYJMLFSA-N	1	0	304.306	-0.374	20	5		DBBDRO
C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000974110942	665168916	/nfs/dbraw/zinc/16/89/16/665168916.db2.gz	JSHKQKJGVPNJHS-YVECIDJPSA-N	1	0	324.381	-0.243	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1CC[NH+](C)CC1	ZINC000929425459	674928997	/nfs/dbraw/zinc/92/89/97/674928997.db2.gz	UKLOSSGEPSXEFJ-UHFFFAOYSA-N	1	0	324.385	-0.147	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N1CCN(Cn2nccc2[N+](=O)[O-])CC1	ZINC000152495922	675024128	/nfs/dbraw/zinc/02/41/28/675024128.db2.gz	FZCVLYNRBVSDPZ-UHFFFAOYSA-N	1	0	322.369	-0.011	20	5		DBBDRO
Cn1nncc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985432338	671478579	/nfs/dbraw/zinc/47/85/79/671478579.db2.gz	ZRUFLEVHBZBKOQ-CHWSQXEVSA-N	1	0	322.369	-0.097	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)C[NH+]2CCCC2)C1	ZINC001031389757	677441337	/nfs/dbraw/zinc/44/13/37/677441337.db2.gz	ZTKSITPHYSTVTN-UHFFFAOYSA-N	1	0	322.369	-0.276	20	5		DBBDRO
Cn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000996428424	678247060	/nfs/dbraw/zinc/24/70/60/678247060.db2.gz	CIHDMRUXGHQVNX-VXGBXAGGSA-N	1	0	308.342	-0.439	20	5		DBBDRO
CN(C)C(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001000675031	678865813	/nfs/dbraw/zinc/86/58/13/678865813.db2.gz	QDEBOHWJJKWJLL-VXGBXAGGSA-N	1	0	310.354	-0.512	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CC[NH2+]C[C@H]2C1	ZINC001164393977	718829833	/nfs/dbraw/zinc/82/98/33/718829833.db2.gz	YLHAYGLICNFFSI-NSHDSACASA-N	1	0	321.337	-0.130	20	5		DBBDRO
CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000843108636	805608279	/nfs/dbraw/zinc/60/82/79/805608279.db2.gz	AOXVTPMKYBFQTM-MWLCHTKSSA-N	1	0	313.310	-0.969	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1	ZINC001302819942	805911341	/nfs/dbraw/zinc/91/13/41/805911341.db2.gz	YLEQBOCQAVWYFW-CYBMUJFWSA-N	1	0	311.342	-0.375	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@](O)(C[NH+](C)C)C1	ZINC001302819946	805911407	/nfs/dbraw/zinc/91/14/07/805911407.db2.gz	YLEQBOCQAVWYFW-ZDUSSCGKSA-N	1	0	311.342	-0.375	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC001307189400	805928746	/nfs/dbraw/zinc/92/87/46/805928746.db2.gz	FOJHFHBKPUQWDG-CYBMUJFWSA-N	1	0	309.326	-0.409	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1	ZINC001307781218	805930702	/nfs/dbraw/zinc/93/07/02/805930702.db2.gz	WNANREYTNZVOAO-ONGXEEELSA-N	1	0	306.269	-0.146	20	5		DBBDRO
O=C1NC(=O)[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]12	ZINC001307785023	805931316	/nfs/dbraw/zinc/93/13/16/805931316.db2.gz	HBLLHGXIFWZQQW-GRYCIOLGSA-N	1	0	305.290	-0.167	20	5		DBBDRO
C[C@@](CO)([NH2+]CCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1	ZINC001307999060	805933015	/nfs/dbraw/zinc/93/30/15/805933015.db2.gz	FHZDGLBGWUGNRA-AWEZNQCLSA-N	1	0	322.321	-0.056	20	5		DBBDRO
CNS(=O)(=O)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1	ZINC001308698758	805934569	/nfs/dbraw/zinc/93/45/69/805934569.db2.gz	YZNPCMCFJGKQKL-UHFFFAOYSA-N	1	0	303.344	-0.366	20	5		DBBDRO
C[NH+](C)CCn1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1	ZINC001318190075	806271659	/nfs/dbraw/zinc/27/16/59/806271659.db2.gz	AQZWBHAHGLIJFW-UHFFFAOYSA-N	1	0	308.302	-0.417	20	5		DBBDRO
C[NH+]1CCN(C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC001318592847	806316125	/nfs/dbraw/zinc/31/61/25/806316125.db2.gz	CJLGQQSSRWAVTC-UHFFFAOYSA-N	1	0	324.385	-0.067	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-]	ZINC001321004519	806554936	/nfs/dbraw/zinc/55/49/36/806554936.db2.gz	WELIUQAPHZLBCH-UHFFFAOYSA-N	1	0	322.369	-0.291	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)C2CCOCC2)c1	ZINC001322485947	806744513	/nfs/dbraw/zinc/74/45/13/806744513.db2.gz	UQFHUCZUSDARPP-STQMWFEESA-N	1	0	314.342	-0.471	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)C2CCOCC2)c1	ZINC001322485941	806744529	/nfs/dbraw/zinc/74/45/29/806744529.db2.gz	UQFHUCZUSDARPP-OLZOCXBDSA-N	1	0	314.342	-0.471	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001323237757	806840665	/nfs/dbraw/zinc/84/06/65/806840665.db2.gz	IDMKKDGYOJMYEA-UWVGGRQHSA-N	1	0	309.326	-0.079	20	5		DBBDRO
CN1CC[NH+](CC2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1	ZINC001324341287	806965119	/nfs/dbraw/zinc/96/51/19/806965119.db2.gz	YSIPOZPMHROGAQ-UHFFFAOYSA-N	1	0	322.369	-0.503	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC3(C2)OCCO3)c1	ZINC000136152700	803817257	/nfs/dbraw/zinc/81/72/57/803817257.db2.gz	HLRKQEVJWDIGNG-GFCCVEGCSA-N	1	0	312.326	-0.009	20	5		DBBDRO
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1nccn1C	ZINC001284521671	804729194	/nfs/dbraw/zinc/72/91/94/804729194.db2.gz	GYYYCQLMFQOJJK-GHMZBOCLSA-N	1	0	323.353	-0.408	20	5		DBBDRO
CCC[N@H+](C)CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001286010727	805018221	/nfs/dbraw/zinc/01/82/21/805018221.db2.gz	KEFSWEMSQYFFDT-VXGBXAGGSA-N	1	0	312.370	-0.337	20	5		DBBDRO
CC1(C)OC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)O1	ZINC000819157608	805123801	/nfs/dbraw/zinc/12/38/01/805123801.db2.gz	ZMYUOAZZSIPJQD-GHMZBOCLSA-N	1	0	300.315	-0.107	20	5		DBBDRO
NC(=O)C1=NO[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000819252680	805125409	/nfs/dbraw/zinc/12/54/09/805125409.db2.gz	JCYORDQDBKOKQI-ZYHUDNBSSA-N	1	0	308.294	-0.152	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cn(CCC[NH3+])nn2)n1	ZINC000823088477	805223345	/nfs/dbraw/zinc/22/33/45/805223345.db2.gz	KJVSWVVKGPETIV-UHFFFAOYSA-N	1	0	319.285	-0.014	20	5		DBBDRO
C[NH+](C)CCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001293799392	805446215	/nfs/dbraw/zinc/44/62/15/805446215.db2.gz	AEZSZZDKIZNRSK-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2	ZINC001294066101	805463422	/nfs/dbraw/zinc/46/34/22/805463422.db2.gz	QCOYJIDKFPNUSA-VXGBXAGGSA-N	1	0	324.381	-0.288	20	5		DBBDRO
CCc1nncn1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325844632	807109527	/nfs/dbraw/zinc/10/95/27/807109527.db2.gz	ZLJDODBGAZLNIS-NSHDSACASA-N	1	0	309.330	-0.404	20	5		DBBDRO
Cn1cc([C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2[NH3+])cn1	ZINC001326049545	807138785	/nfs/dbraw/zinc/13/87/85/807138785.db2.gz	HDINOAODRIFSBX-NWDGAFQWSA-N	1	0	319.325	-0.522	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)C2CCOCC2)c1	ZINC001326501449	807187903	/nfs/dbraw/zinc/18/79/03/807187903.db2.gz	FHZQGHUTOXRQSS-STQMWFEESA-N	1	0	314.342	-0.471	20	5		DBBDRO
Nc1nccc(C(=O)NCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-]	ZINC001326782073	807210790	/nfs/dbraw/zinc/21/07/90/807210790.db2.gz	TYHWTRJPKLUVJC-UHFFFAOYSA-N	1	0	309.326	-0.242	20	5		DBBDRO
NC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001327194279	807246948	/nfs/dbraw/zinc/24/69/48/807246948.db2.gz	FYFZJCKSZKYNDJ-DTWKUNHWSA-N	1	0	307.310	-0.656	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-]	ZINC001327872925	807350282	/nfs/dbraw/zinc/35/02/82/807350282.db2.gz	CHBRZXAJQDIXPE-UHFFFAOYSA-N	1	0	322.369	-0.054	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC001328504318	807434400	/nfs/dbraw/zinc/43/44/00/807434400.db2.gz	LKHUVTOAYFJBPA-UHFFFAOYSA-N	1	0	310.314	-0.970	20	5		DBBDRO
Cn1cc([C@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001329434856	807565611	/nfs/dbraw/zinc/56/56/11/807565611.db2.gz	YJSKYSNVHIRNLS-NWDGAFQWSA-N	1	0	310.314	-0.791	20	5		DBBDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000923352429	807661862	/nfs/dbraw/zinc/66/18/62/807661862.db2.gz	REBZONWZCMBKAO-NHCYSSNCSA-N	1	0	301.322	-0.216	20	5		DBBDRO
C[NH+]1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1	ZINC001330030482	807662397	/nfs/dbraw/zinc/66/23/97/807662397.db2.gz	SWLYRBHABRDPDK-UHFFFAOYSA-N	1	0	308.342	-0.252	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC001331280269	807786156	/nfs/dbraw/zinc/78/61/56/807786156.db2.gz	RAHUDFXVVGUXBT-ZDUSSCGKSA-N	1	0	323.353	-0.151	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1	ZINC000932185460	807960236	/nfs/dbraw/zinc/96/02/36/807960236.db2.gz	CGPSMLOXDGWANP-NSHDSACASA-N	1	0	324.385	-0.148	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000932722698	807977801	/nfs/dbraw/zinc/97/78/01/807977801.db2.gz	FEXWRCHYHJUEEI-NSHDSACASA-N	1	0	324.385	-0.148	20	5		DBBDRO
NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1	ZINC000946589228	808110825	/nfs/dbraw/zinc/11/08/25/808110825.db2.gz	MMSQNRYFKKZGJK-WRWGMCAJSA-N	1	0	310.354	-0.693	20	5		DBBDRO
O=C(C[NH+]1CCCC1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000946706624	808127514	/nfs/dbraw/zinc/12/75/14/808127514.db2.gz	GEHUEZZWQQXWNU-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001334932744	808213727	/nfs/dbraw/zinc/21/37/27/808213727.db2.gz	DVYZIDUIFGEBTD-HTQZYQBOSA-N	1	0	303.344	-0.171	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2ccncc2)c1	ZINC001336729094	808413265	/nfs/dbraw/zinc/41/32/65/808413265.db2.gz	XYQGTFLHOJAQCZ-CHWSQXEVSA-N	1	0	307.310	-0.130	20	5		DBBDRO
CC[C@@H](C)[C@H]([NH2+]CC[N+](=O)[O-])C(=O)NCCN1CCOCC1	ZINC001338463287	808545823	/nfs/dbraw/zinc/54/58/23/808545823.db2.gz	VRMQGSGHJVKMSV-OLZOCXBDSA-N	1	0	316.402	-0.284	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1	ZINC001341272499	808677023	/nfs/dbraw/zinc/67/70/23/808677023.db2.gz	RRRMYJRROUADTP-WDEREUQCSA-N	1	0	306.322	-0.176	20	5		DBBDRO
Cn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001034643364	814709796	/nfs/dbraw/zinc/70/97/96/814709796.db2.gz	NBXISUAUDJRRQN-GWOFURMSSA-N	1	0	323.357	-0.608	20	5		DBBDRO
NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	ZINC001048525483	817370923	/nfs/dbraw/zinc/37/09/23/817370923.db2.gz	XDTWSMZSYANZSV-IYKVGLELSA-N	1	0	310.354	-0.504	20	5		DBBDRO
O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)NC1CC1	ZINC001048814655	817447304	/nfs/dbraw/zinc/44/73/04/817447304.db2.gz	WJEGVTWXVNSARE-LYIQGSDWSA-N	1	0	322.365	-0.680	20	5		DBBDRO
O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001086084255	825174809	/nfs/dbraw/zinc/17/48/09/825174809.db2.gz	JUGYEUYYODYLHC-WRWGMCAJSA-N	1	0	308.342	-0.572	20	5		DBBDRO
CCn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001086084325	825174943	/nfs/dbraw/zinc/17/49/43/825174943.db2.gz	LZUXYULCILTGKW-LYIQGSDWSA-N	1	0	322.369	-0.052	20	5		DBBDRO
CCn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363154	825243142	/nfs/dbraw/zinc/24/31/42/825243142.db2.gz	FCYNXYGWXPGYBW-FPQZTECRSA-N	1	0	322.369	-0.052	20	5		DBBDRO
O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCC1	ZINC001274015559	833006709	/nfs/dbraw/zinc/00/67/09/833006709.db2.gz	JOTIBPCJVQEZII-XCUNLHGCSA-N	1	0	324.381	-0.074	20	5		DBBDRO
C[NH+]1CCC(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001093701319	826160094	/nfs/dbraw/zinc/16/00/94/826160094.db2.gz	QRXPSMSZAFOMGH-UHFFFAOYSA-N	1	0	323.357	-0.163	20	5		DBBDRO
C[C@@H](CN1CC[NH2+]CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001162093236	833074741	/nfs/dbraw/zinc/07/47/41/833074741.db2.gz	SMZOTAWDMLFFKE-VIFPVBQESA-N	1	0	308.342	-0.206	20	5		DBBDRO
Cc1ncc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(=O)[nH]1	ZINC001162306113	833088488	/nfs/dbraw/zinc/08/84/88/833088488.db2.gz	TXPXLBWMPCZQCF-MRVPVSSYSA-N	1	0	303.282	-0.119	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])cc1NCc1nnn2c1C[NH2+]CCC2	ZINC001162971586	833125419	/nfs/dbraw/zinc/12/54/19/833125419.db2.gz	LIXJYESCEDWTTE-UHFFFAOYSA-N	1	0	305.298	-0.075	20	5		DBBDRO
O=C1NC[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])O1	ZINC001163016136	833126889	/nfs/dbraw/zinc/12/68/89/833126889.db2.gz	NZNZADRTHXTNOB-MRVPVSSYSA-N	1	0	323.313	-0.685	20	5		DBBDRO
Cn1cc(NCc2nnc3n2CCC[NH2+]C3)cc([N+](=O)[O-])c1=O	ZINC001163017528	833127240	/nfs/dbraw/zinc/12/72/40/833127240.db2.gz	JADOTBWHTCLRKX-UHFFFAOYSA-N	1	0	319.325	-0.010	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])N1	ZINC001163241038	833141146	/nfs/dbraw/zinc/14/11/46/833141146.db2.gz	YNHIWKGMFZLCCK-KWQFWETISA-N	1	0	313.701	-0.128	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])N1	ZINC001163243786	833142093	/nfs/dbraw/zinc/14/20/93/833142093.db2.gz	XEGZWOKFXGNGHH-ISVAXAHUSA-N	1	0	319.325	-0.938	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])c3nncn3c2)N1	ZINC001163254757	833143944	/nfs/dbraw/zinc/14/39/44/833143944.db2.gz	UMWKSXLSJCPECJ-JOYOIKCWSA-N	1	0	303.282	-0.373	20	5		DBBDRO
O=[N+]([O-])c1c(N2CC3(CC(O)C3)C2)ncnc1N1CC[NH2+]CC1	ZINC001163735416	833165233	/nfs/dbraw/zinc/16/52/33/833165233.db2.gz	QZOJDRNLGMOHMY-UHFFFAOYSA-N	1	0	320.353	-0.245	20	5		DBBDRO
O=C(NCCC1(C[NH2+]CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001164494864	833213905	/nfs/dbraw/zinc/21/39/05/833213905.db2.gz	WMGQVHWEZBSEIX-VXGBXAGGSA-N	1	0	322.369	-0.181	20	5		DBBDRO
Cc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-]	ZINC001165255145	833232449	/nfs/dbraw/zinc/23/24/49/833232449.db2.gz	NXMCJIUWVCRIID-UHFFFAOYSA-N	1	0	306.326	-0.248	20	5		DBBDRO
C[C@@]1(O)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001165226935	833231799	/nfs/dbraw/zinc/23/17/99/833231799.db2.gz	BNXGFUPTLCHHEY-CYBMUJFWSA-N	1	0	308.342	-0.245	20	5		DBBDRO
COC(=O)c1cnc(N2CCOCC23C[NH2+]C3)c([N+](=O)[O-])c1	ZINC001165285918	833236213	/nfs/dbraw/zinc/23/62/13/833236213.db2.gz	JCDZOPRUZOJLJG-UHFFFAOYSA-N	1	0	308.294	-0.045	20	5		DBBDRO
CCOc1nc(N2CCNC(=O)C23C[NH2+]C3)ccc1[N+](=O)[O-]	ZINC001165301794	833239614	/nfs/dbraw/zinc/23/96/14/833239614.db2.gz	CCTSZGQVIORWJI-UHFFFAOYSA-N	1	0	307.310	-0.333	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH2+]C[C@H]1C(=O)OC	ZINC001165435736	833245693	/nfs/dbraw/zinc/24/56/93/833245693.db2.gz	DSINZFBWKCGUTA-JTQLQIEISA-N	1	0	324.293	-0.272	20	5		DBBDRO
COC(=O)c1ccnc(N2CC[NH2+]C[C@H]2C(=O)OC)c1[N+](=O)[O-]	ZINC001165440229	833246923	/nfs/dbraw/zinc/24/69/23/833246923.db2.gz	XZCZCKHVAZWDHB-VIFPVBQESA-N	1	0	324.293	-0.272	20	5		DBBDRO
NC(=O)N1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001166573825	833275696	/nfs/dbraw/zinc/27/56/96/833275696.db2.gz	RHOCFMPINJIXDC-UHFFFAOYSA-N	1	0	307.314	-0.728	20	5		DBBDRO
CN(CC1COC1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001166948440	833286300	/nfs/dbraw/zinc/28/63/00/833286300.db2.gz	XIBPMPVBPPRJGE-UHFFFAOYSA-N	1	0	308.342	-0.123	20	5		DBBDRO
COC(=O)c1cc(C)nc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-]	ZINC001167790640	833310188	/nfs/dbraw/zinc/31/01/88/833310188.db2.gz	NQUHUQIOFWEWIT-UHFFFAOYSA-N	1	0	307.270	-0.438	20	5		DBBDRO
COC(=O)Cc1ccc(-n2nnc(CC[NH3+])n2)cc1[N+](=O)[O-]	ZINC001167792165	833310374	/nfs/dbraw/zinc/31/03/74/833310374.db2.gz	YLELYIGPQSHFDY-UHFFFAOYSA-N	1	0	306.282	-0.213	20	5		DBBDRO
COC(=O)[C@@H](CCC[NH3+])Nc1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001167897108	833312946	/nfs/dbraw/zinc/31/29/46/833312946.db2.gz	FOTMOFFNRLGQJV-MRVPVSSYSA-N	1	0	311.298	-0.219	20	5		DBBDRO
COC(=O)[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001167896108	833312966	/nfs/dbraw/zinc/31/29/66/833312966.db2.gz	SQGGJGBJNHDZFB-SECBINFHSA-N	1	0	311.298	-0.219	20	5		DBBDRO
CNS(=O)(=O)[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC001168317163	833322305	/nfs/dbraw/zinc/32/23/05/833322305.db2.gz	JWGZZHSURKZNBG-SNVBAGLBSA-N	1	0	317.371	-0.277	20	5		DBBDRO
NC(=[NH2+])c1nccn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001168409462	833323656	/nfs/dbraw/zinc/32/36/56/833323656.db2.gz	CHIRNYCCOCXEFS-UHFFFAOYSA-N	1	0	318.297	-0.309	20	5		DBBDRO
CN1C[C@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC1=O	ZINC001168725565	833326696	/nfs/dbraw/zinc/32/66/96/833326696.db2.gz	VMEPYZWBWGBZJQ-QMMMGPOBSA-N	1	0	306.326	-0.038	20	5		DBBDRO
C[NH+]1CCC(O)(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC001116178547	828880445	/nfs/dbraw/zinc/88/04/45/828880445.db2.gz	GGELOJCFQOQCHF-UHFFFAOYSA-N	1	0	324.337	-0.671	20	5		DBBDRO
O=C1NC(=O)C2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)N1	ZINC001116403694	828891984	/nfs/dbraw/zinc/89/19/84/828891984.db2.gz	ZYNJSCBLVOGCDQ-UHFFFAOYSA-N	1	0	308.298	-0.535	20	5		DBBDRO
NC(=O)c1ccnc(N2CCC[N@H+](CCO)CC2)c1[N+](=O)[O-]	ZINC001117647751	829004064	/nfs/dbraw/zinc/00/40/64/829004064.db2.gz	UADOSFODAVKRFF-UHFFFAOYSA-N	1	0	309.326	-0.407	20	5		DBBDRO
[NH3+]CCOCCOCCNc1c(F)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001170505723	833354445	/nfs/dbraw/zinc/35/44/45/833354445.db2.gz	QQUTUJMRZXVGOQ-UHFFFAOYSA-N	1	0	304.278	-0.229	20	5		DBBDRO
COC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1	ZINC001118149789	829040463	/nfs/dbraw/zinc/04/04/63/829040463.db2.gz	PIFGXNQCVPBOFH-GFCCVEGCSA-N	1	0	314.342	-0.063	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC001118794108	829133808	/nfs/dbraw/zinc/13/38/08/829133808.db2.gz	LIDNJVDMOCIXEH-JTQLQIEISA-N	1	0	309.326	-0.011	20	5		DBBDRO
O=C(Cn1cnnn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001123304733	829651180	/nfs/dbraw/zinc/65/11/80/829651180.db2.gz	KCNSGKXPHCAFPY-UHFFFAOYSA-N	1	0	305.298	-0.513	20	5		DBBDRO
CN(Cc1ccco1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126943697	829971672	/nfs/dbraw/zinc/97/16/72/829971672.db2.gz	UJCATEXAWSILGB-VXGBXAGGSA-N	1	0	324.337	-0.391	20	5		DBBDRO
Cn1nnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1	ZINC001132523385	830664008	/nfs/dbraw/zinc/66/40/08/830664008.db2.gz	GZYAPZXBIZVPOG-UHFFFAOYSA-N	1	0	305.298	-0.362	20	5		DBBDRO
NC(=O)NCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001150423501	831615517	/nfs/dbraw/zinc/61/55/17/831615517.db2.gz	HPPGHODTHWKVIN-UHFFFAOYSA-N	1	0	309.326	-0.141	20	5		DBBDRO
COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCO)CC1	ZINC001151121204	831665813	/nfs/dbraw/zinc/66/58/13/831665813.db2.gz	HNCFXSNSMHFBFM-VXGBXAGGSA-N	1	0	315.370	-0.369	20	5		DBBDRO
O=C(Cn1cnnn1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001154503073	831884164	/nfs/dbraw/zinc/88/41/64/831884164.db2.gz	OOYYCAQPGOLFPP-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])c(NCc2nnc3n2CCC[NH2+]C3)c1	ZINC001155424977	831932473	/nfs/dbraw/zinc/93/24/73/831932473.db2.gz	NKHFKSRSWGTSRZ-UHFFFAOYSA-N	1	0	305.298	-0.075	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001155569041	831939497	/nfs/dbraw/zinc/93/94/97/831939497.db2.gz	DLZZOSBCZDKBCB-RNCFNFMXSA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)c1ccnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001155576207	831940644	/nfs/dbraw/zinc/94/06/44/831940644.db2.gz	PDDNUWAHAWGRFL-AMIZOPFISA-N	1	0	321.293	-0.234	20	5		DBBDRO
COc1nc(C)c([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])n1	ZINC001156236826	831975639	/nfs/dbraw/zinc/97/56/39/831975639.db2.gz	RIPFMSFAGMMOAO-UHFFFAOYSA-N	1	0	305.316	-0.573	20	5		DBBDRO
COC(=O)c1ccnc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-]	ZINC001156236618	831975711	/nfs/dbraw/zinc/97/57/11/831975711.db2.gz	OBCIDDZHVBEWCP-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
CC(C)(CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(N)=O	ZINC001156736630	831996171	/nfs/dbraw/zinc/99/61/71/831996171.db2.gz	SOTHBMYDCZEDHQ-UHFFFAOYSA-N	1	0	323.357	-0.282	20	5		DBBDRO
CCn1nc(C)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001157767563	832061743	/nfs/dbraw/zinc/06/17/43/832061743.db2.gz	QTXMMRKOWHFVKP-ZYHUDNBSSA-N	1	0	310.358	-0.132	20	5		DBBDRO
CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767759	832061820	/nfs/dbraw/zinc/06/18/20/832061820.db2.gz	SZRQUYJBZSLHMH-GHMZBOCLSA-N	1	0	315.374	-0.545	20	5		DBBDRO
CN(CC1CC1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157760327	832061901	/nfs/dbraw/zinc/06/19/01/832061901.db2.gz	BZOVIAXAPWBXSC-VXGBXAGGSA-N	1	0	312.370	-0.384	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001158509603	832119542	/nfs/dbraw/zinc/11/95/42/832119542.db2.gz	XHAVOOLPMFULMG-OLZOCXBDSA-N	1	0	323.353	-0.151	20	5		DBBDRO
COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001158640157	832127347	/nfs/dbraw/zinc/12/73/47/832127347.db2.gz	XFLHGJPLZGOVDK-FZMZJTMJSA-N	1	0	322.321	-0.040	20	5		DBBDRO
COC(=O)c1ccnc(N2C[C@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-]	ZINC001158761352	832133503	/nfs/dbraw/zinc/13/35/03/832133503.db2.gz	AOZNJNDKCGDEOD-VIFPVBQESA-N	1	0	308.294	-0.060	20	5		DBBDRO
COC(=O)c1cnc(N2C[C@H]([NH3+])C3(COC3)C2)c([N+](=O)[O-])c1	ZINC001158762002	832133697	/nfs/dbraw/zinc/13/36/97/832133697.db2.gz	JDEGNQTVPZZBCU-JTQLQIEISA-N	1	0	308.294	-0.060	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([NH3+])C2(COC2)C1	ZINC001158765183	832134517	/nfs/dbraw/zinc/13/45/17/832134517.db2.gz	VBROUANDYYRFIR-JTQLQIEISA-N	1	0	308.294	-0.060	20	5		DBBDRO
CN1CC2(C1)CN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001158864675	832142002	/nfs/dbraw/zinc/14/20/02/832142002.db2.gz	XUFJOYSNLMXVMP-UHFFFAOYSA-N	1	0	319.369	-0.454	20	5		DBBDRO
CC[C@](N)(CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001159744724	832838531	/nfs/dbraw/zinc/83/85/31/832838531.db2.gz	ZRXSLNOEEYTPNL-GFCCVEGCSA-N	1	0	311.346	-0.736	20	5		DBBDRO
C[N@H+](CCO)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC001187593958	833935049	/nfs/dbraw/zinc/93/50/49/833935049.db2.gz	QSUFEQURNNWOQT-UHFFFAOYSA-N	1	0	318.355	-0.422	20	5		DBBDRO
NC(=O)C([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O	ZINC001254465523	834599269	/nfs/dbraw/zinc/59/92/69/834599269.db2.gz	BCBCQYVOCDCGJU-UHFFFAOYSA-N	1	0	321.337	-0.508	20	5		DBBDRO
COC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](C)C1	ZINC001195225807	834665322	/nfs/dbraw/zinc/66/53/22/834665322.db2.gz	VNDGQZNYPACWCJ-NSHDSACASA-N	1	0	311.342	-0.172	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c1	ZINC001261436954	834784303	/nfs/dbraw/zinc/78/43/03/834784303.db2.gz	PSFHDXLJKZNTFK-JQWIXIFHSA-N	1	0	306.326	-0.047	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)c1	ZINC001261436955	834784505	/nfs/dbraw/zinc/78/45/05/834784505.db2.gz	PSFHDXLJKZNTFK-PWSUYJOCSA-N	1	0	306.326	-0.047	20	5		DBBDRO
O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1	ZINC001198147718	834929965	/nfs/dbraw/zinc/92/99/65/834929965.db2.gz	RCPZKZPEBIUNNV-LLVKDONJSA-N	1	0	309.326	-0.324	20	5		DBBDRO
C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCC[N+](C)(C)C	ZINC001224775225	979583029	/nfs/dbraw/zinc/58/30/29/979583029.db2.gz	JVDJIOYBNGGQPW-LLVKDONJSA-N	1	0	324.405	-0.455	20	5		DBBDRO
C[C@H](C[N+](C)(C)C)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224798673	979586303	/nfs/dbraw/zinc/58/63/03/979586303.db2.gz	BPBSUAGWEJDTIK-SECBINFHSA-N	1	0	305.311	-0.810	20	5		DBBDRO
COC(=O)[C@H](CCOC(=O)C[C@@H](O)C[N+](C)(C)C)OC(C)=O	ZINC001224838186	979588030	/nfs/dbraw/zinc/58/80/30/979588030.db2.gz	UFDFIACOQRGIFL-NEPJUHHUSA-N	1	0	320.362	-0.518	20	5		DBBDRO
C[N@H+](CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1	ZINC001325514467	979710944	/nfs/dbraw/zinc/71/09/44/979710944.db2.gz	DJBGHTROZQQOMU-UHFFFAOYSA-N	1	0	324.341	-0.882	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCO[C@H](C[NH3+])C2)n1	ZINC001331534595	979885742	/nfs/dbraw/zinc/88/57/42/979885742.db2.gz	VRJWBCBXAYPSGI-MRVPVSSYSA-N	1	0	319.343	-0.933	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)CC1	ZINC001347431450	980220332	/nfs/dbraw/zinc/22/03/32/980220332.db2.gz	BQWITZFWYBOBMY-UHFFFAOYSA-N	1	0	322.369	-0.210	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC001351631245	980676612	/nfs/dbraw/zinc/67/66/12/980676612.db2.gz	DGQWWRUCZNDGJJ-LLVKDONJSA-N	1	0	310.358	-0.538	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001357815124	981094469	/nfs/dbraw/zinc/09/44/69/981094469.db2.gz	RNJSHKWUPVEIIV-GKUNOOHESA-N	1	0	312.370	-0.220	20	5		DBBDRO
COC[C@](C)([NH3+])CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC001591370051	1016494193	/nfs/dbraw/zinc/49/41/93/1016494193.db2.gz	IUQJMVWNJYPYME-LLVKDONJSA-N	1	0	308.302	-0.054	20	5		DBBDRO
O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@H](O)C2)c(-c2nn[nH]n2)c1	ZINC001593485722	1016897300	/nfs/dbraw/zinc/89/73/00/1016897300.db2.gz	XDCLHFDBGPYWGW-VIFPVBQESA-N	1	0	320.313	-0.352	20	5		DBBDRO
NC(=O)[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(N)=O	ZINC001460427992	1009086904	/nfs/dbraw/zinc/08/69/04/1009086904.db2.gz	FSNSTAPNMVONDW-VXGBXAGGSA-N	1	0	306.322	-0.344	20	5		DBBDRO
C[C@@]12C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O	ZINC001460599418	1009096653	/nfs/dbraw/zinc/09/66/53/1009096653.db2.gz	BUFMEEBQNLZOLJ-STQMWFEESA-N	1	0	307.310	-0.224	20	5		DBBDRO
COC(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC001460749635	1009107248	/nfs/dbraw/zinc/10/72/48/1009107248.db2.gz	UJRWBCUVCSUVSI-ONGXEEELSA-N	1	0	313.314	-0.418	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1	ZINC001473859390	1009962785	/nfs/dbraw/zinc/96/27/85/1009962785.db2.gz	JKMSRHVUTKISNH-GMXVVIOVSA-N	1	0	313.333	-0.120	20	5		DBBDRO
O=C(NCC[N@H+](CCn1cncn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001481169588	1010852977	/nfs/dbraw/zinc/85/29/77/1010852977.db2.gz	VEKAKMBUFUEFGX-VXGBXAGGSA-N	1	0	308.342	-0.476	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001597701988	1017203330	/nfs/dbraw/zinc/20/33/30/1017203330.db2.gz	XYNQPPSFADGZDK-SNVBAGLBSA-N	1	0	309.326	-0.229	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001498539829	1017824437	/nfs/dbraw/zinc/82/44/37/1017824437.db2.gz	AQRBYDUMRMVASX-VXGBXAGGSA-N	1	0	312.370	-0.434	20	5		DBBDRO
Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O	ZINC001499221675	1018033165	/nfs/dbraw/zinc/03/31/65/1018033165.db2.gz	RTLYVQSSBAZPLJ-VXGBXAGGSA-N	1	0	320.349	-0.211	20	5		DBBDRO
CC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001499221318	1018034537	/nfs/dbraw/zinc/03/45/37/1018034537.db2.gz	MHSXPGHZTLWMLE-NXEZZACHSA-N	1	0	312.370	-0.195	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001603335981	1018168433	/nfs/dbraw/zinc/16/84/33/1018168433.db2.gz	JPTGKOVIHYRAND-MNOVXSKESA-N	1	0	324.341	-0.756	20	5		DBBDRO
CN(C)c1cc(F)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-]	ZINC001578422877	1020238484	/nfs/dbraw/zinc/23/84/84/1020238484.db2.gz	KISJJQBJWUXFAU-SKDRFNHKSA-N	1	0	312.301	-0.138	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC001578538111	1020264546	/nfs/dbraw/zinc/26/45/46/1020264546.db2.gz	HGDLQWQUUGTMJU-UKRRQHHQSA-N	1	0	322.365	-0.178	20	5		DBBDRO
COc1ccc(C(=O)N2CC(=O)NCC23C[NH2+]C3)cc1[N+](=O)[O-]	ZINC001579188936	1020385572	/nfs/dbraw/zinc/38/55/72/1020385572.db2.gz	SVLXXJUQUWKLTQ-UHFFFAOYSA-N	1	0	320.305	-0.483	20	5		DBBDRO
COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(=O)NCC12C[NH2+]C2	ZINC001579180435	1020385619	/nfs/dbraw/zinc/38/56/19/1020385619.db2.gz	OCNARCDBYZPOFG-UHFFFAOYSA-N	1	0	320.305	-0.483	20	5		DBBDRO
CN(CCOCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(N)=O	ZINC001508181355	1020544170	/nfs/dbraw/zinc/54/41/70/1020544170.db2.gz	XYWHCMLMPRNMNE-UHFFFAOYSA-N	1	0	324.337	-0.355	20	5		DBBDRO
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1O	ZINC001580874924	1020811469	/nfs/dbraw/zinc/81/14/69/1020811469.db2.gz	PIAXNKAALXCPOQ-BDAKNGLRSA-N	1	0	319.314	-0.265	20	5		DBBDRO
O=[N+]([O-])c1ccccc1CCNS(=O)(=O)N1CC[NH2+]CC1	ZINC001580876014	1020811784	/nfs/dbraw/zinc/81/17/84/1020811784.db2.gz	WRESZTGDLNNLAU-UHFFFAOYSA-N	1	0	314.367	-0.123	20	5		DBBDRO
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnc1	ZINC001581083042	1020823082	/nfs/dbraw/zinc/82/30/82/1020823082.db2.gz	ZISUTKVPFLSWMO-VXGBXAGGSA-N	1	0	323.353	-0.097	20	5		DBBDRO
Nc1ncc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-]	ZINC001583194373	1020980477	/nfs/dbraw/zinc/98/04/77/1020980477.db2.gz	GFUPGDLDZCLBKN-VHSXEESVSA-N	1	0	307.310	-0.537	20	5		DBBDRO
CN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001585427265	1021057337	/nfs/dbraw/zinc/05/73/37/1021057337.db2.gz	VJDVQXFOBRZMJY-VXGBXAGGSA-N	1	0	324.381	-0.195	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1	ZINC001520751179	1021603047	/nfs/dbraw/zinc/60/30/47/1021603047.db2.gz	BJDDSTHLZJRHEG-UHFFFAOYSA-N	1	0	308.342	-0.220	20	5		DBBDRO
CC1(C)CC[N@H+](CC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001522628038	1021821792	/nfs/dbraw/zinc/82/17/92/1021821792.db2.gz	PJKTZBDWMPAFRK-GHMZBOCLSA-N	1	0	312.370	-0.384	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001558550116	1023963434	/nfs/dbraw/zinc/96/34/34/1023963434.db2.gz	HLWONGXNSPBJHJ-SNVBAGLBSA-N	1	0	309.326	-0.311	20	5		DBBDRO
C[C@H]1CN(CCO)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001559211050	1023982053	/nfs/dbraw/zinc/98/20/53/1023982053.db2.gz	FWSFCKJCJCEXCI-VIFPVBQESA-N	1	0	309.326	-0.409	20	5		DBBDRO
O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1	ZINC001566838104	1024387887	/nfs/dbraw/zinc/38/78/87/1024387887.db2.gz	DPTQFUIRBCZCBS-WRWGMCAJSA-N	1	0	310.354	-0.585	20	5		DBBDRO
COCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001570492019	1025635096	/nfs/dbraw/zinc/63/50/96/1025635096.db2.gz	NBBVJRZTXWYTPA-VXGBXAGGSA-N	1	0	315.370	-0.369	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000449699346	529779196	/nfs/dbraw/zinc/77/91/96/529779196.db2.gz	OREIYIBBDSDAJU-GFCCVEGCSA-N	1	0	308.338	-0.007	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N	ZINC000449702434	529780180	/nfs/dbraw/zinc/78/01/80/529780180.db2.gz	UQUZYIJTBDKSOP-VIFPVBQESA-N	1	0	311.317	-0.051	20	5		DBBDRO
Nc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000375774332	412523566	/nfs/dbraw/zinc/52/35/66/412523566.db2.gz	OKKJEFPUWCRCMM-ONGXEEELSA-N	1	0	308.342	0.002	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000357729503	138146552	/nfs/dbraw/zinc/14/65/52/138146552.db2.gz	LLGZILQFHYNRDY-UHFFFAOYSA-N	1	0	310.358	-0.455	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@H](O)C[C@H]2CO)c1	ZINC000372124811	138164825	/nfs/dbraw/zinc/16/48/25/138164825.db2.gz	VFJLEEHQBHVWFW-XQQFMLRXSA-N	1	0	312.322	-0.238	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000375796879	138183974	/nfs/dbraw/zinc/18/39/74/138183974.db2.gz	UGRKQLPBGZGCKI-QWHCGFSZSA-N	1	0	323.353	-0.151	20	5		DBBDRO
C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C(N)=O)C1	ZINC000187368177	237022506	/nfs/dbraw/zinc/02/25/06/237022506.db2.gz	VESZBFTVORKDDM-USWWRNFRSA-N	1	0	311.342	-0.262	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1	ZINC000124371932	283564399	/nfs/dbraw/zinc/56/43/99/283564399.db2.gz	GIWNUGBTIREEAD-LLVKDONJSA-N	1	0	314.367	-0.142	20	5		DBBDRO
CN(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000563137897	284025939	/nfs/dbraw/zinc/02/59/39/284025939.db2.gz	KKSMEOGNEHNTFH-RYUDHWBXSA-N	1	0	313.354	-0.153	20	5		DBBDRO
C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000563144112	284026295	/nfs/dbraw/zinc/02/62/95/284026295.db2.gz	PHZHGRMUKLYGOC-BDAKNGLRSA-N	1	0	312.330	-0.851	20	5		DBBDRO
O=C(NC1C[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000563644352	284045979	/nfs/dbraw/zinc/04/59/79/284045979.db2.gz	BOHDZGDRJHCMAY-UHFFFAOYSA-N	1	0	304.306	-0.433	20	5		DBBDRO
COC[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000564656187	284064086	/nfs/dbraw/zinc/06/40/86/284064086.db2.gz	IZEPEBNBZRBRSH-CMPLNLGQSA-N	1	0	300.311	-0.069	20	5		DBBDRO
Nc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000564739582	284066361	/nfs/dbraw/zinc/06/63/61/284066361.db2.gz	JZRBUTYMAIOCMR-WCBMZHEXSA-N	1	0	319.321	-0.439	20	5		DBBDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1	ZINC000186949754	374284514	/nfs/dbraw/zinc/28/45/14/374284514.db2.gz	ONVVINZQOWZAPJ-WDEREUQCSA-N	1	0	311.342	-0.295	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CO)cc1	ZINC000578237564	374340340	/nfs/dbraw/zinc/34/03/40/374340340.db2.gz	SSGJUZMKVMLJFP-SNVBAGLBSA-N	1	0	304.324	-0.689	20	5		DBBDRO
Cn1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000579853099	374613380	/nfs/dbraw/zinc/61/33/80/374613380.db2.gz	CCDGCGQTSAWZCW-RKDXNWHRSA-N	1	0	307.310	-0.683	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588860036	374769241	/nfs/dbraw/zinc/76/92/41/374769241.db2.gz	BLPLCGGXTKQLJW-YPMHNXCESA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588861937	374769490	/nfs/dbraw/zinc/76/94/90/374769490.db2.gz	ZMLLHYPWHATPIV-CMPLNLGQSA-N	1	0	309.326	-0.541	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588860035	374769527	/nfs/dbraw/zinc/76/95/27/374769527.db2.gz	BLPLCGGXTKQLJW-WCQYABFASA-N	1	0	323.353	-0.151	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCO)C(C)(C)C2)n1	ZINC000614895500	375311525	/nfs/dbraw/zinc/31/15/25/375311525.db2.gz	VKUIBEXMPXYIIM-UHFFFAOYSA-N	1	0	311.342	-0.143	20	5		DBBDRO
CC1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1CCO	ZINC000614895047	375311862	/nfs/dbraw/zinc/31/18/62/375311862.db2.gz	NEYXVYFLUTXOFO-UHFFFAOYSA-N	1	0	311.342	-0.294	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000570741278	375386647	/nfs/dbraw/zinc/38/66/47/375386647.db2.gz	XWIAEWCSRFEZPA-QWHCGFSZSA-N	1	0	318.333	-0.092	20	5		DBBDRO
CC(C)(O)C[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000106400059	375446417	/nfs/dbraw/zinc/44/64/17/375446417.db2.gz	LMBRHOKGJRDXHC-UHFFFAOYSA-N	1	0	311.342	-0.294	20	5		DBBDRO
C[NH+](C)C[C@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000589102057	375450897	/nfs/dbraw/zinc/45/08/97/375450897.db2.gz	XFHVTGLEHNDGKX-MRVPVSSYSA-N	1	0	318.355	-0.423	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCC[N@H+]1CCO	ZINC000452389790	375532783	/nfs/dbraw/zinc/53/27/83/375532783.db2.gz	MSUWABPIPNTCFG-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000590369360	375528062	/nfs/dbraw/zinc/52/80/62/375528062.db2.gz	CWZQUUFXKFIOGV-NSHDSACASA-N	1	0	324.337	-0.637	20	5		DBBDRO
CN(C)C(=O)CN1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000365825698	375555128	/nfs/dbraw/zinc/55/51/28/375555128.db2.gz	PZZBVEMPCFAPNA-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O	ZINC000590585399	375663232	/nfs/dbraw/zinc/66/32/32/375663232.db2.gz	AFVNQZJVWRGJHL-QWRGUYRKSA-N	1	0	315.351	-0.110	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOC[C@H]2CCOC2)c1	ZINC000591734948	375744523	/nfs/dbraw/zinc/74/45/23/375744523.db2.gz	MLXTXGZJKSWPPO-WCQYABFASA-N	1	0	314.342	-0.205	20	5		DBBDRO
C[C@H]([NH3+])CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000592383487	375796559	/nfs/dbraw/zinc/79/65/59/375796559.db2.gz	XSZCIOTXLTVZAW-ZETCQYMHSA-N	1	0	317.323	-0.009	20	5		DBBDRO
CSC[C@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000592431124	375805162	/nfs/dbraw/zinc/80/51/62/375805162.db2.gz	NOICMPGECGTDSC-GXSJLCMTSA-N	1	0	304.372	-0.144	20	5		DBBDRO
C[C@@H]([NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000592546865	375810777	/nfs/dbraw/zinc/81/07/77/375810777.db2.gz	GGTAALSCAWFSMF-SECBINFHSA-N	1	0	309.326	-0.143	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000592549306	375811156	/nfs/dbraw/zinc/81/11/56/375811156.db2.gz	AFUCPNIYYFPKNY-SNVBAGLBSA-N	1	0	311.298	-0.845	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000592552582	375812768	/nfs/dbraw/zinc/81/27/68/375812768.db2.gz	ZMWISOQQGSGEBG-JTQLQIEISA-N	1	0	310.310	-0.090	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-]	ZINC000592878560	375826257	/nfs/dbraw/zinc/82/62/57/375826257.db2.gz	GKNQASNCFDUTKK-SECBINFHSA-N	1	0	324.341	-0.182	20	5		DBBDRO
COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000593066296	375843935	/nfs/dbraw/zinc/84/39/35/375843935.db2.gz	KHNUKUTVJVVZMG-JLLWLGSASA-N	1	0	300.315	-0.766	20	5		DBBDRO
Cn1c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-]	ZINC000593234756	375852903	/nfs/dbraw/zinc/85/29/03/375852903.db2.gz	JHDHQQUGJSZIDU-UHFFFAOYSA-N	1	0	323.353	-0.221	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000593577861	375872568	/nfs/dbraw/zinc/87/25/68/375872568.db2.gz	OSPYZNWMLPTNKX-NSHDSACASA-N	1	0	316.339	-0.665	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O	ZINC000593784629	375891010	/nfs/dbraw/zinc/89/10/10/375891010.db2.gz	SVCNFOMAXPKMFY-UHFFFAOYSA-N	1	0	309.326	-0.231	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-]	ZINC000593784294	375891474	/nfs/dbraw/zinc/89/14/74/375891474.db2.gz	LSQOKDMNYZBPJU-UHFFFAOYSA-N	1	0	324.341	-0.528	20	5		DBBDRO
O=[N+]([O-])c1cnc2ccc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)nn21	ZINC000593504531	375867360	/nfs/dbraw/zinc/86/73/60/375867360.db2.gz	OTTLTSXEPBSAKI-SNVBAGLBSA-N	1	0	304.310	-0.107	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000594874247	375967475	/nfs/dbraw/zinc/96/74/75/375967475.db2.gz	QEQZEGRGRDFETB-QWHCGFSZSA-N	1	0	318.333	-0.092	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1	ZINC000594387044	375924099	/nfs/dbraw/zinc/92/40/99/375924099.db2.gz	QRLGFCXJDOGWBY-VHSXEESVSA-N	1	0	309.326	-0.298	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594392553	375924293	/nfs/dbraw/zinc/92/42/93/375924293.db2.gz	HWUNGBYEFQGHMY-CMPLNLGQSA-N	1	0	309.326	-0.541	20	5		DBBDRO
[NH3+]C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F	ZINC000594525814	375936395	/nfs/dbraw/zinc/93/63/95/375936395.db2.gz	WAKFIRYRXOAMGV-SSDOTTSWSA-N	1	0	310.236	-0.020	20	5		DBBDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594766704	375947164	/nfs/dbraw/zinc/94/71/64/375947164.db2.gz	JCUULCHNQXZAPL-UHFFFAOYSA-N	1	0	318.355	-0.418	20	5		DBBDRO
[NH3+]CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)CO	ZINC000595900771	376044928	/nfs/dbraw/zinc/04/49/28/376044928.db2.gz	KWBYVWFMWGKBBN-JTQLQIEISA-N	1	0	312.326	-0.853	20	5		DBBDRO
C[NH+](C)CCN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1=O	ZINC000596291631	376079845	/nfs/dbraw/zinc/07/98/45/376079845.db2.gz	ZKNSFVJOMQEODK-UHFFFAOYSA-N	1	0	309.326	-0.094	20	5		DBBDRO
[NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1	ZINC000598916453	376228653	/nfs/dbraw/zinc/22/86/53/376228653.db2.gz	YVIWQNFIGFLNHX-NSHDSACASA-N	1	0	308.294	-0.281	20	5		DBBDRO
Nc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(N)[nH+]1	ZINC000599015869	376236626	/nfs/dbraw/zinc/23/66/26/376236626.db2.gz	SXICCJFLRTXXDP-UHFFFAOYSA-N	1	0	316.325	-0.068	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)n1	ZINC000599100754	376242481	/nfs/dbraw/zinc/24/24/81/376242481.db2.gz	MXVMNQFZYYKMEM-KWQFWETISA-N	1	0	315.355	-0.170	20	5		DBBDRO
C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599099874	376242930	/nfs/dbraw/zinc/24/29/30/376242930.db2.gz	FXHPMYBMOVTRKQ-HTQZYQBOSA-N	1	0	303.344	-0.314	20	5		DBBDRO
C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1	ZINC000599099831	376243156	/nfs/dbraw/zinc/24/31/56/376243156.db2.gz	DJJCJIDITLSYKT-YUMQZZPRSA-N	1	0	303.344	-0.301	20	5		DBBDRO
C[C@H](CC[NH+](C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599242721	376257126	/nfs/dbraw/zinc/25/71/26/376257126.db2.gz	QLUZKSILGOXTQZ-MRVPVSSYSA-N	1	0	305.360	-0.053	20	5		DBBDRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1	ZINC000599898052	376342767	/nfs/dbraw/zinc/34/27/67/376342767.db2.gz	HUMWOUVWCYNDHK-JTQLQIEISA-N	1	0	322.321	-0.054	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)n1	ZINC000599333238	376283695	/nfs/dbraw/zinc/28/36/95/376283695.db2.gz	ZITFWIKLUWWTQQ-QMMMGPOBSA-N	1	0	303.344	-0.442	20	5		DBBDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]21	ZINC000600000146	376354956	/nfs/dbraw/zinc/35/49/56/376354956.db2.gz	PKCBEBXFPJCPFQ-YABSGUDNSA-N	1	0	306.322	-0.225	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC1C[NH2+]C1	ZINC000571659419	376765114	/nfs/dbraw/zinc/76/51/14/376765114.db2.gz	SNYBLTAYEJUPJT-UHFFFAOYSA-N	1	0	308.294	-0.692	20	5		DBBDRO
CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O	ZINC000571416980	376756972	/nfs/dbraw/zinc/75/69/72/376756972.db2.gz	JFBZVFIMMDGECJ-SNVBAGLBSA-N	1	0	312.326	-0.444	20	5		DBBDRO
CN(C)c1ncc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1C	ZINC000573713489	377108902	/nfs/dbraw/zinc/10/89/02/377108902.db2.gz	VJGCRIUUPJTEAE-GFCCVEGCSA-N	1	0	323.357	-0.259	20	5		DBBDRO
C[NH2+]CCN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000263271746	377192663	/nfs/dbraw/zinc/19/26/63/377192663.db2.gz	XDGKPEAZKWOFAT-UHFFFAOYSA-N	1	0	322.321	-0.002	20	5		DBBDRO
COC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000573920725	377187397	/nfs/dbraw/zinc/18/73/97/377187397.db2.gz	WQHZEUVHDFFDQM-ONGXEEELSA-N	1	0	314.294	-0.542	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000269565630	377406966	/nfs/dbraw/zinc/40/69/66/377406966.db2.gz	GVIBQZBUIFVZDN-GFCCVEGCSA-N	1	0	311.342	-0.246	20	5		DBBDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1	ZINC000356890515	378115245	/nfs/dbraw/zinc/11/52/45/378115245.db2.gz	DEILHVBZMBMIIN-VHSXEESVSA-N	1	0	312.330	-0.900	20	5		DBBDRO
NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248391546	378298870	/nfs/dbraw/zinc/29/88/70/378298870.db2.gz	DCGSGJAHPWZXAM-TUAOUCFPSA-N	1	0	311.342	-0.214	20	5		DBBDRO
CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000584775750	379842216	/nfs/dbraw/zinc/84/22/16/379842216.db2.gz	RSTVMFJFUZJEIM-ONGXEEELSA-N	1	0	320.371	-0.435	20	5		DBBDRO
O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1	ZINC000577074833	380543480	/nfs/dbraw/zinc/54/34/80/380543480.db2.gz	MCILAIRCDPSFSH-NSHDSACASA-N	1	0	306.322	-0.268	20	5		DBBDRO
O=C1NCC[C@]12CCC[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000577409207	380565939	/nfs/dbraw/zinc/56/59/39/380565939.db2.gz	SSNWLRCUKXUAKK-DGCLKSJQSA-N	1	0	309.326	-0.493	20	5		DBBDRO
C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C(N)=O)C1	ZINC000249590358	380854356	/nfs/dbraw/zinc/85/43/56/380854356.db2.gz	VESZBFTVORKDDM-ADEWGFFLSA-N	1	0	311.342	-0.262	20	5		DBBDRO
NC(=O)C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1	ZINC000123006148	382348002	/nfs/dbraw/zinc/34/80/02/382348002.db2.gz	RGHKWDSKXCVGQY-NSHDSACASA-N	1	0	311.342	-0.070	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000619873592	382525680	/nfs/dbraw/zinc/52/56/80/382525680.db2.gz	PIOMWRWQVNVSIL-LLVKDONJSA-N	1	0	308.342	-0.703	20	5		DBBDRO
CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[NH2+]CC1	ZINC000423110784	382527956	/nfs/dbraw/zinc/52/79/56/382527956.db2.gz	VVWUSERWHBKVIN-UHFFFAOYSA-N	1	0	306.322	-0.015	20	5		DBBDRO
CN(C[C@@H](O)C[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000420355522	382506517	/nfs/dbraw/zinc/50/65/17/382506517.db2.gz	PTIVAGXMAMXMQH-STQMWFEESA-N	1	0	308.338	-0.049	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)s1	ZINC000420484973	382508768	/nfs/dbraw/zinc/50/87/68/382508768.db2.gz	YQIVXQSAQDSIEW-SSDOTTSWSA-N	1	0	307.353	-0.077	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000533557359	382569103	/nfs/dbraw/zinc/56/91/03/382569103.db2.gz	PWTYYPPHVFTYHW-NSHDSACASA-N	1	0	318.355	-0.419	20	5		DBBDRO
CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OC	ZINC000276814684	382586991	/nfs/dbraw/zinc/58/69/91/382586991.db2.gz	DZBDDUYEERWPGD-UTUOFQBUSA-N	1	0	300.315	-0.502	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000330690312	382596792	/nfs/dbraw/zinc/59/67/92/382596792.db2.gz	FQEPTKWMWYXGEG-NSHDSACASA-N	1	0	310.358	-0.457	20	5		DBBDRO
CC[N@H+](CCOCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000282034497	382607761	/nfs/dbraw/zinc/60/77/61/382607761.db2.gz	LBLHQWJOXRUHEU-GFCCVEGCSA-N	1	0	302.331	-0.517	20	5		DBBDRO
CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000353478228	382641065	/nfs/dbraw/zinc/64/10/65/382641065.db2.gz	FBTJUZVHBZGLHQ-KOLCDFICSA-N	1	0	309.326	-0.024	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000356482098	382644966	/nfs/dbraw/zinc/64/49/66/382644966.db2.gz	QRQDVUFEVHZVDQ-VIFPVBQESA-N	1	0	324.341	-0.602	20	5		DBBDRO
COCC[N@@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000358348784	382646588	/nfs/dbraw/zinc/64/65/88/382646588.db2.gz	HBOALWQOPVZHJF-UHFFFAOYSA-N	1	0	312.330	-0.633	20	5		DBBDRO
O=C(CN1CC[NH2+]CC1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000602502709	382639286	/nfs/dbraw/zinc/63/92/86/382639286.db2.gz	IGFMVERFRRUAPL-UHFFFAOYSA-N	1	0	305.338	-0.220	20	5		DBBDRO
O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1	ZINC000418864715	392139508	/nfs/dbraw/zinc/13/95/08/392139508.db2.gz	IQEKIKODBZMBLC-UHFFFAOYSA-N	1	0	306.322	-0.315	20	5		DBBDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000349777918	392139740	/nfs/dbraw/zinc/13/97/40/392139740.db2.gz	VFUALULOCIIAMT-LBPRGKRZSA-N	1	0	324.385	-0.067	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC000532388282	392148038	/nfs/dbraw/zinc/14/80/38/392148038.db2.gz	FLQWXBMETKWGJT-UHFFFAOYSA-N	1	0	321.337	-0.164	20	5		DBBDRO
CCn1cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])n1	ZINC000427961459	392148407	/nfs/dbraw/zinc/14/84/07/392148407.db2.gz	YJALMQZONSLMLX-QMSLJYSESA-N	1	0	301.328	-0.693	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1	ZINC000351831176	392157571	/nfs/dbraw/zinc/15/75/71/392157571.db2.gz	JWESRPBULHGRGY-VIFPVBQESA-N	1	0	324.341	-0.365	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000288443333	131325765	/nfs/dbraw/zinc/32/57/65/131325765.db2.gz	IRNIWJWYBJPQKR-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000289256190	131369579	/nfs/dbraw/zinc/36/95/79/131369579.db2.gz	NWXINAXAQPDSIL-NSHDSACASA-N	1	0	308.342	-0.703	20	5		DBBDRO
C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1	ZINC000267164997	393084563	/nfs/dbraw/zinc/08/45/63/393084563.db2.gz	KXYYQWAFXPRZAA-UHFFFAOYSA-N	1	0	310.310	-0.118	20	5		DBBDRO
NC(=O)[C@]1(O)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000348208486	393659818	/nfs/dbraw/zinc/65/98/18/393659818.db2.gz	HYWNKLFHJGQVKQ-ZDUSSCGKSA-N	1	0	305.294	-0.107	20	5		DBBDRO
CNc1nccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-]	ZINC000600808147	412336588	/nfs/dbraw/zinc/33/65/88/412336588.db2.gz	KAPADRUHWQQSKV-VIFPVBQESA-N	1	0	309.326	-0.172	20	5		DBBDRO
CNc1nccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000600533447	412336905	/nfs/dbraw/zinc/33/69/05/412336905.db2.gz	KAPADRUHWQQSKV-SECBINFHSA-N	1	0	309.326	-0.172	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccn(-c2cc[nH+]cc2)n1	ZINC000356117160	412358234	/nfs/dbraw/zinc/35/82/34/412358234.db2.gz	BVFDGODVDXKTMP-UHFFFAOYSA-N	1	0	314.265	0.406	20	5		DBBDRO
COC(=O)c1cc(C)nc(NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-]	ZINC000342832194	412378648	/nfs/dbraw/zinc/37/86/48/412378648.db2.gz	RIUXSVNGJZGGHG-AWEZNQCLSA-N	1	0	324.337	0.563	20	5		DBBDRO
Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cccc1[N+](=O)[O-]	ZINC000361085489	418942466	/nfs/dbraw/zinc/94/24/66/418942466.db2.gz	HZWIPHSOLXUERP-SNVBAGLBSA-N	1	0	324.337	-0.120	20	5		DBBDRO
NS(=O)(=O)c1ccc(OC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1	ZINC000116884213	544688485	/nfs/dbraw/zinc/68/84/85/544688485.db2.gz	OTKDYAAENIUUAO-QMMMGPOBSA-N	1	0	317.323	-0.391	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000394465879	265720199	/nfs/dbraw/zinc/72/01/99/265720199.db2.gz	WMLZFTQXTZOTIJ-NSHDSACASA-N	1	0	314.367	-0.223	20	5		DBBDRO
Cn1cc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2[NH3+])cn1	ZINC000424297716	265929538	/nfs/dbraw/zinc/92/95/38/265929538.db2.gz	RKZHDBYLIRQRIH-NWDGAFQWSA-N	1	0	305.342	-0.049	20	5		DBBDRO
NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000441512925	266115096	/nfs/dbraw/zinc/11/50/96/266115096.db2.gz	RLPVPRBKGYUKRG-PWSUYJOCSA-N	1	0	311.342	-0.118	20	5		DBBDRO
CN(C)CC[N@H+](C)CCCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000494849575	266199320	/nfs/dbraw/zinc/19/93/20/266199320.db2.gz	GWNLIKXFLZINFG-UHFFFAOYSA-N	1	0	313.362	-0.814	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000517257556	266293267	/nfs/dbraw/zinc/29/32/67/266293267.db2.gz	UPDXYKQONQHVNP-ZDUSSCGKSA-N	1	0	309.326	-0.636	20	5		DBBDRO
C[N@H+](CCN1CCCC1=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000525784813	266347637	/nfs/dbraw/zinc/34/76/37/266347637.db2.gz	SHCSVNFYBLRCEW-GFCCVEGCSA-N	1	0	311.342	-0.294	20	5		DBBDRO
C[NH2+]CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000262726448	277272556	/nfs/dbraw/zinc/27/25/56/277272556.db2.gz	ASCAMNPUOCZKRN-UHFFFAOYSA-N	1	0	317.323	-0.136	20	5		DBBDRO
C[C@H](CO)[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1	ZINC000357664099	279360372	/nfs/dbraw/zinc/36/03/72/279360372.db2.gz	MGJIFMFEDBTBJA-SNVBAGLBSA-N	1	0	323.353	-0.018	20	5		DBBDRO
CCn1cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000353239166	288704200	/nfs/dbraw/zinc/70/42/00/288704200.db2.gz	AGBMQDIPSZXMOQ-QMMMGPOBSA-N	1	0	303.344	-0.159	20	5		DBBDRO
O=C1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC000566969193	332621067	/nfs/dbraw/zinc/62/10/67/332621067.db2.gz	YCNSDKNBOJRBHJ-JOYOIKCWSA-N	1	0	309.326	-0.495	20	5		DBBDRO
CC(C)(C(=O)NCC(=O)N1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1	ZINC000571634943	333866989	/nfs/dbraw/zinc/86/69/89/333866989.db2.gz	UYNNIMHNJIZDRO-UHFFFAOYSA-N	1	0	324.341	-0.926	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000582976568	337225318	/nfs/dbraw/zinc/22/53/18/337225318.db2.gz	XMPWGRYERBKBAG-NWDGAFQWSA-N	1	0	304.306	-0.021	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000582976570	337225349	/nfs/dbraw/zinc/22/53/49/337225349.db2.gz	XMPWGRYERBKBAG-VXGBXAGGSA-N	1	0	304.306	-0.021	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1	ZINC000583016628	337229475	/nfs/dbraw/zinc/22/94/75/337229475.db2.gz	AWOWMJJESMMBJH-QWRGUYRKSA-N	1	0	311.342	-0.377	20	5		DBBDRO
CCn1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)c([N+](=O)[O-])n1	ZINC000566224114	341551145	/nfs/dbraw/zinc/55/11/45/341551145.db2.gz	GELRBSPNYOIPBN-UHFFFAOYSA-N	1	0	303.344	-0.079	20	5		DBBDRO
C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)NCC[NH+](C)C	ZINC000566464939	341558915	/nfs/dbraw/zinc/55/89/15/341558915.db2.gz	SANYYJCSEYHATC-MRVPVSSYSA-N	1	0	324.341	-0.632	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2CC[NH2+]CC2)c1	ZINC000567808265	341634484	/nfs/dbraw/zinc/63/44/84/341634484.db2.gz	KVGJALHOVCGPSF-UHFFFAOYSA-N	1	0	310.310	-0.552	20	5		DBBDRO
CCn1nc(C)c([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000574414301	341757973	/nfs/dbraw/zinc/75/79/73/341757973.db2.gz	PCDYNXLVAPYRQM-NXEZZACHSA-N	1	0	308.342	-0.132	20	5		DBBDRO
CCN1C(=O)[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000364825853	521535376	/nfs/dbraw/zinc/53/53/76/521535376.db2.gz	CSQPNOBGZPGTBM-LLVKDONJSA-N	1	0	322.325	-0.240	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000131599553	521856258	/nfs/dbraw/zinc/85/62/58/521856258.db2.gz	QVXITGCFBBFVTM-LBPRGKRZSA-N	1	0	314.346	-0.597	20	5		DBBDRO
C[NH2+]CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262625409	521963165	/nfs/dbraw/zinc/96/31/65/521963165.db2.gz	QGIHJNJIUBPWDV-UHFFFAOYSA-N	1	0	316.339	-0.791	20	5		DBBDRO
CN(CC(=O)NCC[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262493809	522477241	/nfs/dbraw/zinc/47/72/41/522477241.db2.gz	AZYNTYILCRQWKB-UHFFFAOYSA-N	1	0	316.339	-0.710	20	5		DBBDRO
COCC[NH+](CCOC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266459002	523716005	/nfs/dbraw/zinc/71/60/05/523716005.db2.gz	PQCMYNROGFQSQJ-GFCCVEGCSA-N	1	0	302.331	-0.253	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)C[NH+](C)C)CC1	ZINC000331052333	524043978	/nfs/dbraw/zinc/04/39/78/524043978.db2.gz	IZHOQDHISWWTFV-UHFFFAOYSA-N	1	0	310.358	-0.466	20	5		DBBDRO
C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+]1CCN(C)CC1	ZINC000264990123	524392534	/nfs/dbraw/zinc/39/25/34/524392534.db2.gz	BBENUVDSCODFJK-GFCCVEGCSA-N	1	0	324.385	-0.209	20	5		DBBDRO
C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])nn1C	ZINC000347095542	525105660	/nfs/dbraw/zinc/10/56/60/525105660.db2.gz	RQMAURKKWZOFTJ-VHSXEESVSA-N	1	0	311.342	-0.145	20	5		DBBDRO
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[NH2+]C1	ZINC000262511672	526710305	/nfs/dbraw/zinc/71/03/05/526710305.db2.gz	NKZKCQOQKYVXFQ-SECBINFHSA-N	1	0	320.305	-0.202	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1	ZINC000332012873	527327572	/nfs/dbraw/zinc/32/75/72/527327572.db2.gz	RCCFPADMKAKNSQ-MWLCHTKSSA-N	1	0	309.326	-0.127	20	5		DBBDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1	ZINC000285985768	536479617	/nfs/dbraw/zinc/47/96/17/536479617.db2.gz	YBXLBBMDGHRWHD-VXGBXAGGSA-N	1	0	309.326	-0.277	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000825856410	607737481	/nfs/dbraw/zinc/73/74/81/607737481.db2.gz	VKZNPSBHZNICOA-LBPRGKRZSA-N	1	0	322.329	-0.106	20	5		DBBDRO
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC000823614729	606700304	/nfs/dbraw/zinc/70/03/04/606700304.db2.gz	RUWFWVJGRRSCFG-YUMQZZPRSA-N	1	0	302.298	-0.175	20	5		DBBDRO
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1C[C@H]2C[NH2+]C[C@@H]2C1	ZINC000823614727	606700310	/nfs/dbraw/zinc/70/03/10/606700310.db2.gz	RUWFWVJGRRSCFG-HTQZYQBOSA-N	1	0	302.298	-0.175	20	5		DBBDRO
C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000991287898	674648851	/nfs/dbraw/zinc/64/88/51/674648851.db2.gz	LXQMOEPIWULGMH-VXGBXAGGSA-N	1	0	310.354	-0.680	20	5		DBBDRO
CC1CC[NH+](CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000991292312	674655794	/nfs/dbraw/zinc/65/57/94/674655794.db2.gz	FKFVEJGLSZSADZ-CHWSQXEVSA-N	1	0	324.381	-0.290	20	5		DBBDRO
Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000983652639	671227399	/nfs/dbraw/zinc/22/73/99/671227399.db2.gz	DUWIPJILWUOQRP-GWOFURMSSA-N	1	0	308.342	-0.535	20	5		DBBDRO
Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1	ZINC001031661029	677493733	/nfs/dbraw/zinc/49/37/33/677493733.db2.gz	KNXXCGGTZBKTLD-CHWSQXEVSA-N	1	0	307.354	-0.324	20	5		DBBDRO
Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000996430028	678247561	/nfs/dbraw/zinc/24/75/61/678247561.db2.gz	YOFUYDZDEHHJLT-GHMZBOCLSA-N	1	0	308.342	-0.439	20	5		DBBDRO
Cn1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC000997771369	678508941	/nfs/dbraw/zinc/50/89/41/678508941.db2.gz	GTUMKZWJXSNXHL-CHWSQXEVSA-N	1	0	322.369	-0.192	20	5		DBBDRO
O=C(C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCC1	ZINC001001393369	678928849	/nfs/dbraw/zinc/92/88/49/678928849.db2.gz	ARPAUWOJUQTBFI-CHWSQXEVSA-N	1	0	324.381	-0.288	20	5		DBBDRO
O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C12CC[NH+](CC1)C2	ZINC001003331078	679034180	/nfs/dbraw/zinc/03/41/80/679034180.db2.gz	KZOUFZUXFDTJTB-VXGBXAGGSA-N	1	0	322.365	-0.678	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@@H]3C2)n1	ZINC001164400242	718844213	/nfs/dbraw/zinc/84/42/13/718844213.db2.gz	TZTUPQBUTVUVIM-SNVBAGLBSA-N	1	0	321.337	-0.130	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@H]3C2)n1	ZINC001164400241	718844288	/nfs/dbraw/zinc/84/42/88/718844288.db2.gz	TZTUPQBUTVUVIM-JTQLQIEISA-N	1	0	321.337	-0.130	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC2(CCO)CC[NH+](C)CC2)n1	ZINC001295927015	805599005	/nfs/dbraw/zinc/59/90/05/805599005.db2.gz	MSCUQVQALNETIZ-UHFFFAOYSA-N	1	0	311.342	-0.095	20	5		DBBDRO
Cn1cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])n1	ZINC001307994321	805932943	/nfs/dbraw/zinc/93/29/43/805932943.db2.gz	NOGBKFLJDVDBKH-BETUJISGSA-N	1	0	307.310	-0.187	20	5		DBBDRO
CN(C)C(=O)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001316914042	806030170	/nfs/dbraw/zinc/03/01/70/806030170.db2.gz	DZOJRFLCLJKEBM-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001317585332	806195899	/nfs/dbraw/zinc/19/58/99/806195899.db2.gz	PLNODTNSOMZLGI-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ncc[nH]1	ZINC001317585862	806196077	/nfs/dbraw/zinc/19/60/77/806196077.db2.gz	NSVYAIGZJPPHMN-UHFFFAOYSA-N	1	0	307.314	-0.087	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(O)CC[NH+](C)CC1	ZINC001318847515	806329796	/nfs/dbraw/zinc/32/97/96/806329796.db2.gz	BQJUQFRFTJPZRN-UHFFFAOYSA-N	1	0	311.342	-0.327	20	5		DBBDRO
COCC1(O)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001319530227	806388749	/nfs/dbraw/zinc/38/87/49/806388749.db2.gz	XRMGAFFOMBDPEV-GFCCVEGCSA-N	1	0	314.342	-0.375	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-]	ZINC001321620116	806648050	/nfs/dbraw/zinc/64/80/50/806648050.db2.gz	YWODMEOWCZUDOC-UHFFFAOYSA-N	1	0	308.342	-0.302	20	5		DBBDRO
CC(C)CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001323441385	806874598	/nfs/dbraw/zinc/87/45/98/806874598.db2.gz	HLAUXMQMSGHJNU-GHMZBOCLSA-N	1	0	312.370	-0.338	20	5		DBBDRO
NC(=O)C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000175256451	803823469	/nfs/dbraw/zinc/82/34/69/803823469.db2.gz	NKPULUCFRGLLFS-PWSUYJOCSA-N	1	0	311.342	-0.260	20	5		DBBDRO
NC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000175256429	803823639	/nfs/dbraw/zinc/82/36/39/803823639.db2.gz	NKPULUCFRGLLFS-ZYHUDNBSSA-N	1	0	311.342	-0.260	20	5		DBBDRO
O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262333627	803832384	/nfs/dbraw/zinc/83/23/84/803832384.db2.gz	FHIPJRSCIQJZPD-JLLWLGSASA-N	1	0	321.337	-0.275	20	5		DBBDRO
CNC(=O)C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1	ZINC000744403814	803989981	/nfs/dbraw/zinc/98/99/81/803989981.db2.gz	WCOVRGFGRNUGSW-LLVKDONJSA-N	1	0	311.342	-0.199	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)C[NH+]1CCCC1	ZINC000808220014	804952654	/nfs/dbraw/zinc/95/26/54/804952654.db2.gz	VIZGNEHTCJNLHO-NSHDSACASA-N	1	0	311.342	-0.327	20	5		DBBDRO
C[NH+](C)C1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1	ZINC001285924230	805001540	/nfs/dbraw/zinc/00/15/40/805001540.db2.gz	WAPBFRJQFGPDMA-GHMZBOCLSA-N	1	0	324.381	-0.099	20	5		DBBDRO
NC(=O)C1=NO[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000819252774	805124933	/nfs/dbraw/zinc/12/49/33/805124933.db2.gz	KKIFXCNRMGDPSI-ZYHUDNBSSA-N	1	0	308.294	-0.152	20	5		DBBDRO
NC(=O)C1=NO[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000819252676	805125359	/nfs/dbraw/zinc/12/53/59/805125359.db2.gz	JCYORDQDBKOKQI-JQWIXIFHSA-N	1	0	308.294	-0.152	20	5		DBBDRO
CCc1nncn1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325844631	807109556	/nfs/dbraw/zinc/10/95/56/807109556.db2.gz	ZLJDODBGAZLNIS-LLVKDONJSA-N	1	0	309.330	-0.404	20	5		DBBDRO
Cc1nc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1	ZINC001326024796	807134902	/nfs/dbraw/zinc/13/49/02/807134902.db2.gz	YAWAFJHCDREBSV-VXGBXAGGSA-N	1	0	312.326	-0.441	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)C2CCOCC2)c1	ZINC001326501441	807187872	/nfs/dbraw/zinc/18/78/72/807187872.db2.gz	FHZQGHUTOXRQSS-CHWSQXEVSA-N	1	0	314.342	-0.471	20	5		DBBDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC001327828992	807342369	/nfs/dbraw/zinc/34/23/69/807342369.db2.gz	JYTHPQBTEJHSBJ-SNVBAGLBSA-N	1	0	308.338	-0.022	20	5		DBBDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC001328349479	807414479	/nfs/dbraw/zinc/41/44/79/807414479.db2.gz	IUMXITGGAUBBJJ-JTQLQIEISA-N	1	0	308.338	-0.022	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(CO)COC1	ZINC001328400258	807422567	/nfs/dbraw/zinc/42/25/67/807422567.db2.gz	FYGWPDJJFBCKSJ-LLVKDONJSA-N	1	0	312.322	-0.067	20	5		DBBDRO
CN1CC[N@H+](C)CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000907066719	807510335	/nfs/dbraw/zinc/51/03/35/807510335.db2.gz	XDYLFJLCDSTQBU-UHFFFAOYSA-N	1	0	310.358	-0.599	20	5		DBBDRO
CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1	ZINC000946589052	808110722	/nfs/dbraw/zinc/11/07/22/808110722.db2.gz	CSCCVZGUSWCPLS-YVECIDJPSA-N	1	0	324.381	-0.432	20	5		DBBDRO
C[NH+]1CCN(C2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1	ZINC001334137714	808135809	/nfs/dbraw/zinc/13/58/09/808135809.db2.gz	OIDBSOLULMSRNU-UHFFFAOYSA-N	1	0	321.337	-0.233	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C	ZINC001337326494	808448003	/nfs/dbraw/zinc/44/80/03/808448003.db2.gz	FUXPGEIGHKFVKH-JTQLQIEISA-N	1	0	310.358	-0.306	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001340065769	808618061	/nfs/dbraw/zinc/61/80/61/808618061.db2.gz	RQTYCRGJUDGXTN-CYBMUJFWSA-N	1	0	308.338	-0.007	20	5		DBBDRO
Cn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1	ZINC001020139053	814311708	/nfs/dbraw/zinc/31/17/08/814311708.db2.gz	OLOUEELKKUYITF-FDYHWXHSSA-N	1	0	307.354	-0.135	20	5		DBBDRO
O=C(N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001034644444	814709883	/nfs/dbraw/zinc/70/98/83/814709883.db2.gz	GQCIJBVWQOJSHS-FDYHWXHSSA-N	1	0	322.369	-0.040	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1	ZINC001034720879	814717486	/nfs/dbraw/zinc/71/74/86/814717486.db2.gz	LYOZMCXDDNILNB-KYZUINATSA-N	1	0	324.341	-0.669	20	5		DBBDRO
CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001055574965	818257981	/nfs/dbraw/zinc/25/79/81/818257981.db2.gz	GFHKOELCOYJXSY-VXGBXAGGSA-N	1	0	312.370	-0.242	20	5		DBBDRO
Nc1nc(NCCNC(=O)C[NH+]2CCCC2)ncc1[N+](=O)[O-]	ZINC001093652413	826154087	/nfs/dbraw/zinc/15/40/87/826154087.db2.gz	QDWKUIZVBXTQJB-UHFFFAOYSA-N	1	0	309.330	-0.409	20	5		DBBDRO
COC(=O)c1cnc(-n2cc(C[NH3+])cnc2=N)c([N+](=O)[O-])c1	ZINC001161414596	833014183	/nfs/dbraw/zinc/01/41/83/833014183.db2.gz	CXJFGOZUZIULCP-UHFFFAOYSA-N	1	0	304.266	-0.100	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2cc(C[NH3+])cnc2=N)n1	ZINC001161420481	833016120	/nfs/dbraw/zinc/01/61/20/833016120.db2.gz	BSCWBGRAQCJEHP-UHFFFAOYSA-N	1	0	318.297	-0.225	20	5		DBBDRO
C[NH+](C)C1(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)CCC1	ZINC001093928195	826180196	/nfs/dbraw/zinc/18/01/96/826180196.db2.gz	YZJGSJSNGCKZOJ-UHFFFAOYSA-N	1	0	323.357	-0.021	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CCO)CCF)CC1	ZINC001098364796	826471658	/nfs/dbraw/zinc/47/16/58/826471658.db2.gz	CLWZCBJNIXWXOS-VXGBXAGGSA-N	1	0	303.334	-0.094	20	5		DBBDRO
COc1nc(C)nc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-]	ZINC001162125141	833075854	/nfs/dbraw/zinc/07/58/54/833075854.db2.gz	WCVBNMWGKJVXLM-UHFFFAOYSA-N	1	0	305.316	-0.573	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])cc1N(CC[NH3+])S(C)(=O)=O	ZINC001162135114	833077202	/nfs/dbraw/zinc/07/72/02/833077202.db2.gz	VTIDQVVJZVGHIV-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
CN(CCNC(=O)C[NH+]1CCCC1)c1ncc([N+](=O)[O-])c(N)n1	ZINC001100115607	826866539	/nfs/dbraw/zinc/86/65/39/826866539.db2.gz	ZHYMTUNIFYAMKN-UHFFFAOYSA-N	1	0	323.357	-0.385	20	5		DBBDRO
COC(=O)[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)C(C)(C)[NH3+]	ZINC001162941109	833124213	/nfs/dbraw/zinc/12/42/13/833124213.db2.gz	DOPKOHYUNNXIGC-MRVPVSSYSA-N	1	0	311.298	-0.221	20	5		DBBDRO
NC(=O)c1ccnc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-]	ZINC001163153165	833135256	/nfs/dbraw/zinc/13/52/56/833135256.db2.gz	IXFQEJJZZBGAAZ-SDBXPKJASA-N	1	0	307.310	-0.263	20	5		DBBDRO
NC(=O)c1nc(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1[N+](=O)[O-]	ZINC001163147890	833135473	/nfs/dbraw/zinc/13/54/73/833135473.db2.gz	ROJMCAXWEFXOFG-SDBXPKJASA-N	1	0	307.310	-0.263	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001163237999	833140407	/nfs/dbraw/zinc/14/04/07/833140407.db2.gz	KQFUXHSTXOYUFZ-QPUJVOFHSA-N	1	0	306.282	-0.921	20	5		DBBDRO
NC(=O)c1ccnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001163239465	833141246	/nfs/dbraw/zinc/14/12/46/833141246.db2.gz	GCRVFPYBKYPDMS-JMCQJSRRSA-N	1	0	306.282	-0.921	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])N1	ZINC001163241037	833141379	/nfs/dbraw/zinc/14/13/79/833141379.db2.gz	YNHIWKGMFZLCCK-KCJUWKMLSA-N	1	0	313.701	-0.128	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2c(C)nnc2C[NH3+])n1	ZINC001163354183	833150120	/nfs/dbraw/zinc/15/01/20/833150120.db2.gz	ZOQDJAFGFFLHLT-UHFFFAOYSA-N	1	0	306.286	-0.001	20	5		DBBDRO
COc1nc(SC)nc(N(CC[NH3+])CCO)c1[N+](=O)[O-]	ZINC001163827705	833171922	/nfs/dbraw/zinc/17/19/22/833171922.db2.gz	KCEOGECKIRPTOX-UHFFFAOYSA-N	1	0	303.344	-0.127	20	5		DBBDRO
CO[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1OC	ZINC001164001866	833189275	/nfs/dbraw/zinc/18/92/75/833189275.db2.gz	UEHNVNVOWMFTTJ-PHIMTYICSA-N	1	0	309.326	-0.078	20	5		DBBDRO
O=c1[nH][nH]cc1CCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001164373706	833207018	/nfs/dbraw/zinc/20/70/18/833207018.db2.gz	ARWVSSMLKDQKBB-QMMMGPOBSA-N	1	0	319.325	-0.005	20	5		DBBDRO
Cn1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1	ZINC001164494418	833213628	/nfs/dbraw/zinc/21/36/28/833213628.db2.gz	JABLLBFUPWMEQU-VXGBXAGGSA-N	1	0	322.369	-0.144	20	5		DBBDRO
Cn1ncc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC001164490367	833213720	/nfs/dbraw/zinc/21/37/20/833213720.db2.gz	GJNPHUWFSVDRLU-VXGBXAGGSA-N	1	0	322.369	-0.144	20	5		DBBDRO
O=C1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC2(CC[NH2+]CC2)N1	ZINC001165252276	833232763	/nfs/dbraw/zinc/23/27/63/833232763.db2.gz	BKPUUDHUFKUOOS-UHFFFAOYSA-N	1	0	307.310	-0.713	20	5		DBBDRO
Nc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-]	ZINC001165256055	833233386	/nfs/dbraw/zinc/23/33/86/833233386.db2.gz	IXWZXJZESFUFHQ-UHFFFAOYSA-N	1	0	306.326	-0.370	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1	ZINC001165256181	833233615	/nfs/dbraw/zinc/23/36/15/833233615.db2.gz	OBUUPEYMVXSUAL-UHFFFAOYSA-N	1	0	306.326	-0.248	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCN1c1nc(Cl)ncc1[N+](=O)[O-]	ZINC001165435899	833245360	/nfs/dbraw/zinc/24/53/60/833245360.db2.gz	GBMNZMFKGZLQHY-ZETCQYMHSA-N	1	0	301.690	-0.011	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]	ZINC001165439649	833246113	/nfs/dbraw/zinc/24/61/13/833246113.db2.gz	STHMFNYBKFBXGJ-MRVPVSSYSA-N	1	0	316.701	-0.167	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@@H]2C(=O)OC)n1	ZINC001165441586	833246948	/nfs/dbraw/zinc/24/69/48/833246948.db2.gz	DIVABIWQLHGUGR-SNVBAGLBSA-N	1	0	324.293	-0.272	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1(C(N)=O)CC1	ZINC001165595937	833252930	/nfs/dbraw/zinc/25/29/30/833252930.db2.gz	GNSCUUUAAQUUMV-UHFFFAOYSA-N	1	0	324.341	-0.810	20	5		DBBDRO
O=[N+]([O-])c1c(N2C[C@@H]3C[C@H]2CO3)ncnc1N1CC[NH2+]CC1	ZINC001166754658	833280495	/nfs/dbraw/zinc/28/04/95/833280495.db2.gz	SHQVUTXDOAZZBK-UWVGGRQHSA-N	1	0	306.326	-0.228	20	5		DBBDRO
COC(=O)C1(Nc2ccc([N+](=O)[O-])c(C(N)=O)n2)CC[NH2+]CC1	ZINC001166922551	833285182	/nfs/dbraw/zinc/28/51/82/833285182.db2.gz	DNBJBOXJBSSSNA-UHFFFAOYSA-N	1	0	323.309	-0.204	20	5		DBBDRO
COC(=O)C1(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC[NH2+]CC1	ZINC001166922533	833285249	/nfs/dbraw/zinc/28/52/49/833285249.db2.gz	CQDUTZQWLCOCGT-UHFFFAOYSA-N	1	0	323.309	-0.204	20	5		DBBDRO
[NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-]	ZINC001168920460	833331486	/nfs/dbraw/zinc/33/14/86/833331486.db2.gz	SAINTOQKSPGVIC-UHFFFAOYSA-N	1	0	316.075	-0.575	20	5		DBBDRO
O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)C1	ZINC001168987806	833332212	/nfs/dbraw/zinc/33/22/12/833332212.db2.gz	KHUYIDWCDXXKRW-RYUDHWBXSA-N	1	0	305.400	-0.248	20	5		DBBDRO
COc1nc(C)nc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-]	ZINC001169070895	833333545	/nfs/dbraw/zinc/33/35/45/833333545.db2.gz	FHPCIQZZZOQOHH-MRVPVSSYSA-N	1	0	308.298	-0.250	20	5		DBBDRO
Cc1c[n+]([O-])c(NCCOCCOCC[NH3+])cc1[N+](=O)[O-]	ZINC001170505989	833354429	/nfs/dbraw/zinc/35/44/29/833354429.db2.gz	XXFPPODLOIVYEB-UHFFFAOYSA-N	1	0	300.315	-0.060	20	5		DBBDRO
C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1[NH3+]	ZINC001118866168	829142454	/nfs/dbraw/zinc/14/24/54/829142454.db2.gz	WTQOHTKHJSGBSN-JGVFFNPUSA-N	1	0	303.344	-0.314	20	5		DBBDRO
COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC001171741947	833373790	/nfs/dbraw/zinc/37/37/90/833373790.db2.gz	SYUAKSOUUXNDIA-WDEREUQCSA-N	1	0	312.326	-0.044	20	5		DBBDRO
CS(=O)(=O)NC[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001175954972	833398306	/nfs/dbraw/zinc/39/83/06/833398306.db2.gz	GIKSPACHLYVDTF-SNVBAGLBSA-N	1	0	317.371	-0.338	20	5		DBBDRO
CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001121081026	829427255	/nfs/dbraw/zinc/42/72/55/829427255.db2.gz	FRRQSVWDYBAXAX-ZQUIDFRUSA-N	1	0	324.381	-0.195	20	5		DBBDRO
CN(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001121082067	829427443	/nfs/dbraw/zinc/42/74/43/829427443.db2.gz	XYQZXURXEREUEY-ZQUIDFRUSA-N	1	0	324.381	-0.243	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001121935574	829531489	/nfs/dbraw/zinc/53/14/89/829531489.db2.gz	ACWKSFFCIFMCDX-GFCCVEGCSA-N	1	0	322.369	-0.394	20	5		DBBDRO
O=C(Cn1cnnn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001123312601	829652853	/nfs/dbraw/zinc/65/28/53/829652853.db2.gz	IDVUEVXBBIMSJU-UHFFFAOYSA-N	1	0	305.298	-0.513	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1ccccc1	ZINC001126942471	829971365	/nfs/dbraw/zinc/97/13/65/829971365.db2.gz	AIEHKCPIXSLEEW-CHWSQXEVSA-N	1	0	320.349	-0.326	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1	ZINC001144612177	831257687	/nfs/dbraw/zinc/25/76/87/831257687.db2.gz	AAIRVSSTPLIPJP-JTQLQIEISA-N	1	0	322.369	-0.062	20	5		DBBDRO
COCC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1	ZINC001147026347	831327634	/nfs/dbraw/zinc/32/76/34/831327634.db2.gz	HVDUUZQMGGZWPT-NSHDSACASA-N	1	0	311.342	-0.063	20	5		DBBDRO
CCN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001147507096	831377684	/nfs/dbraw/zinc/37/76/84/831377684.db2.gz	MBWYZWUUTIJACU-VXGBXAGGSA-N	1	0	324.381	-0.336	20	5		DBBDRO
Cn1cc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1	ZINC001154510270	831885433	/nfs/dbraw/zinc/88/54/33/831885433.db2.gz	NBAPEHNJEYUKFN-UHFFFAOYSA-N	1	0	321.341	-0.029	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cn1cccn1	ZINC001154599637	831889595	/nfs/dbraw/zinc/88/95/95/831889595.db2.gz	HHBULIZIDMMIRX-UHFFFAOYSA-N	1	0	321.341	-0.179	20	5		DBBDRO
COC(=O)c1ccnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001155576210	831940687	/nfs/dbraw/zinc/94/06/87/831940687.db2.gz	PDDNUWAHAWGRFL-ISVAXAHUSA-N	1	0	321.293	-0.234	20	5		DBBDRO
O=[N+]([O-])c1cnc(N[C@@H]2C=CS(=O)(=O)C2)nc1C1C[NH2+]C1	ZINC001156067142	831967185	/nfs/dbraw/zinc/96/71/85/831967185.db2.gz	LAKNWIYGXPNLGF-MRVPVSSYSA-N	1	0	311.323	-0.206	20	5		DBBDRO
O=C1CC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C(=O)N1	ZINC001156723271	831996560	/nfs/dbraw/zinc/99/65/60/831996560.db2.gz	RPVZDBTXBLQONQ-ZETCQYMHSA-N	1	0	306.282	-0.711	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)n1	ZINC001156989253	832013602	/nfs/dbraw/zinc/01/36/02/832013602.db2.gz	GHVZXDISXMDPTB-UHFFFAOYSA-N	1	0	307.274	-0.871	20	5		DBBDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCC1	ZINC001157767256	832061582	/nfs/dbraw/zinc/06/15/82/832061582.db2.gz	JTSVEKWYHFHSET-VXGBXAGGSA-N	1	0	312.370	-0.194	20	5		DBBDRO
COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1	ZINC001157767840	832061886	/nfs/dbraw/zinc/06/18/86/832061886.db2.gz	XBEWSCZIXBXPHD-GHMZBOCLSA-N	1	0	309.326	-0.254	20	5		DBBDRO
CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767334	832062005	/nfs/dbraw/zinc/06/20/05/832062005.db2.gz	LHGIUJNMRJFXIY-GHMZBOCLSA-N	1	0	300.359	-0.336	20	5		DBBDRO
CN1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158709834	832131322	/nfs/dbraw/zinc/13/13/22/832131322.db2.gz	IXDLBLBGFQSAFS-JTQLQIEISA-N	1	0	308.342	-0.186	20	5		DBBDRO
COC(=O)c1ccnc(N2C[C@@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-]	ZINC001158761351	832133539	/nfs/dbraw/zinc/13/35/39/832133539.db2.gz	AOZNJNDKCGDEOD-SECBINFHSA-N	1	0	308.294	-0.060	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])C3(COC3)C2)n1	ZINC001158770159	832134768	/nfs/dbraw/zinc/13/47/68/832134768.db2.gz	ZICZJNQHXZDVDA-JTQLQIEISA-N	1	0	308.294	-0.060	20	5		DBBDRO
C=CC(=O)NCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001158833768	832139801	/nfs/dbraw/zinc/13/98/01/832139801.db2.gz	VIMQCSHUCPBSLS-UHFFFAOYSA-N	1	0	321.341	-0.492	20	5		DBBDRO
CC(C)N(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001277054174	833922845	/nfs/dbraw/zinc/92/28/45/833922845.db2.gz	CGETVHCQOYXWNE-GHMZBOCLSA-N	1	0	312.370	-0.243	20	5		DBBDRO
COCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001195761909	834722820	/nfs/dbraw/zinc/72/28/20/834722820.db2.gz	RWKMECMDZHEFKK-CHWSQXEVSA-N	1	0	315.370	-0.151	20	5		DBBDRO
O=C1C[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC001261437289	834783934	/nfs/dbraw/zinc/78/39/34/834783934.db2.gz	ZFXSKSWKNCETOB-MFKMUULPSA-N	1	0	323.353	-0.247	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)c1	ZINC001261437601	834784432	/nfs/dbraw/zinc/78/44/32/834784432.db2.gz	GRPVDGHVFBQNRJ-JTQLQIEISA-N	1	0	318.355	-0.681	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1	ZINC001261483344	834791983	/nfs/dbraw/zinc/79/19/83/834791983.db2.gz	QKLZNBYHLWLDAJ-DMDPSCGWSA-N	1	0	314.342	-0.613	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)n1	ZINC001261791708	834849320	/nfs/dbraw/zinc/84/93/20/834849320.db2.gz	YNTSFSPILTWDRP-UHFFFAOYSA-N	1	0	315.355	-0.155	20	5		DBBDRO
CS(=O)(=O)CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001200461821	835131106	/nfs/dbraw/zinc/13/11/06/835131106.db2.gz	MFUSPJHVYWHLQI-GHMZBOCLSA-N	1	0	319.383	-0.723	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCOCCO)CC1	ZINC001200472992	835132392	/nfs/dbraw/zinc/13/23/92/835132392.db2.gz	XBEBZUPGDLCUFY-VXGBXAGGSA-N	1	0	301.343	-0.759	20	5		DBBDRO
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1	ZINC001528110340	1014358549	/nfs/dbraw/zinc/35/85/49/1014358549.db2.gz	IAFPJVYPCYLKEZ-VXGBXAGGSA-N	1	0	312.370	-0.432	20	5		DBBDRO
CC(C)[N@@H+]1CC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795894	979583491	/nfs/dbraw/zinc/58/34/91/979583491.db2.gz	CZTZDLIIDWIUMZ-SNVBAGLBSA-N	1	0	316.314	-0.422	20	5		DBBDRO
C[NH+]1CCC(OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1	ZINC001224798430	979585138	/nfs/dbraw/zinc/58/51/38/979585138.db2.gz	YMMNPWIHGAABKN-UHFFFAOYSA-N	1	0	302.287	-0.811	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c1	ZINC001331972062	979901192	/nfs/dbraw/zinc/90/11/92/979901192.db2.gz	PKKJFUQTACQIFY-ONGXEEELSA-N	1	0	322.329	-0.867	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)C2CCOCC2)c1	ZINC001343203581	979926526	/nfs/dbraw/zinc/92/65/26/979926526.db2.gz	UHZMLECIPFZPGK-ZDUSSCGKSA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2cccnc2)c1	ZINC001346135850	980113413	/nfs/dbraw/zinc/11/34/13/980113413.db2.gz	GYVGRVOHPNULHF-OLZOCXBDSA-N	1	0	307.310	-0.130	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2cccnc2)c1	ZINC001346135853	980113629	/nfs/dbraw/zinc/11/36/29/980113629.db2.gz	GYVGRVOHPNULHF-STQMWFEESA-N	1	0	307.310	-0.130	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2cccnc2)c1	ZINC001346135851	980113657	/nfs/dbraw/zinc/11/36/57/980113657.db2.gz	GYVGRVOHPNULHF-QWHCGFSZSA-N	1	0	307.310	-0.130	20	5		DBBDRO
C[NH+]1CCC(O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1	ZINC001346458364	980142895	/nfs/dbraw/zinc/14/28/95/980142895.db2.gz	ULIWXPUQVBREIO-UHFFFAOYSA-N	1	0	309.326	-0.242	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1	ZINC001348454104	980307905	/nfs/dbraw/zinc/30/79/05/980307905.db2.gz	GBRPSOINPDVTDL-UHFFFAOYSA-N	1	0	322.369	-0.360	20	5		DBBDRO
Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC001348953348	980392268	/nfs/dbraw/zinc/39/22/68/980392268.db2.gz	UTIQODMIEZFJQE-CMPLNLGQSA-N	1	0	321.341	-0.343	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC001349130909	980413820	/nfs/dbraw/zinc/41/38/20/980413820.db2.gz	HKMRWXZXFUMPEQ-JTQLQIEISA-N	1	0	308.342	-0.552	20	5		DBBDRO
C[NH+]1CCC2(CC1)CN(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2	ZINC001349457937	980472395	/nfs/dbraw/zinc/47/23/95/980472395.db2.gz	LHIQYFDCGGTEEC-UHFFFAOYSA-N	1	0	324.341	-0.491	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC001351631250	980677396	/nfs/dbraw/zinc/67/73/96/980677396.db2.gz	DGQWWRUCZNDGJJ-NSHDSACASA-N	1	0	310.358	-0.538	20	5		DBBDRO
O=C(CCC[NH+]1CCCC1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001530430888	1014693595	/nfs/dbraw/zinc/69/35/95/1014693595.db2.gz	DQUMQDOHGAJDRM-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
CN(C)c1cc[nH+]cc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001491283464	1015333472	/nfs/dbraw/zinc/33/34/72/1015333472.db2.gz	QBGGYQRQGDRUGL-BXKDBHETSA-N	1	0	321.337	-0.341	20	5		DBBDRO
CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001536493940	1015448775	/nfs/dbraw/zinc/44/87/75/1015448775.db2.gz	AHGWCYVVJURLKB-VXGBXAGGSA-N	1	0	324.381	-0.337	20	5		DBBDRO
Nc1ncc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-]	ZINC001556641845	1015929305	/nfs/dbraw/zinc/92/93/05/1015929305.db2.gz	PQROYDTUKUMRGZ-UHFFFAOYSA-N	1	0	309.326	-0.242	20	5		DBBDRO
CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC001494475000	1016286197	/nfs/dbraw/zinc/28/61/97/1016286197.db2.gz	DPPRMQHGZBUGAL-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1C[C@H]2C[NH2+]C[C@@H]2C1	ZINC001593471757	1016896574	/nfs/dbraw/zinc/89/65/74/1016896574.db2.gz	YKPHJOSYWXFXCB-RKDXNWHRSA-N	1	0	302.298	-0.175	20	5		DBBDRO
O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+](CCO)CCO	ZINC001593480590	1016897194	/nfs/dbraw/zinc/89/71/94/1016897194.db2.gz	CBTBXAVASPOLRF-UHFFFAOYSA-N	1	0	308.298	-0.439	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001467810857	1009521930	/nfs/dbraw/zinc/52/19/30/1009521930.db2.gz	GELNXIYFNVUEFF-NEPJUHHUSA-N	1	0	323.353	-0.233	20	5		DBBDRO
O=C(NCC[NH+]1CCC(O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC001468122318	1009545559	/nfs/dbraw/zinc/54/55/59/1009545559.db2.gz	KETFCYQBKDLAPH-UHFFFAOYSA-N	1	0	310.310	-0.118	20	5		DBBDRO
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC001472259695	1009877026	/nfs/dbraw/zinc/87/70/26/1009877026.db2.gz	SUKOUAKDGAUYGL-GHMZBOCLSA-N	1	0	309.326	-0.011	20	5		DBBDRO
CCOCC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001479930812	1010453343	/nfs/dbraw/zinc/45/33/43/1010453343.db2.gz	NKIAHIUAUUGSIT-CHWSQXEVSA-N	1	0	314.386	-0.578	20	5		DBBDRO
O=C(NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1	ZINC001480203792	1010573464	/nfs/dbraw/zinc/57/34/64/1010573464.db2.gz	VCBHLLTYNQVCJD-WRWGMCAJSA-N	1	0	310.354	-0.585	20	5		DBBDRO
CCN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001482925609	1011541838	/nfs/dbraw/zinc/54/18/38/1011541838.db2.gz	ZNRCSPUTAAZNCZ-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CC1	ZINC001483733073	1012097117	/nfs/dbraw/zinc/09/71/17/1012097117.db2.gz	RSTGOKNNWAUWAG-GHMZBOCLSA-N	1	0	310.354	-0.584	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001578561810	1020269318	/nfs/dbraw/zinc/26/93/18/1020269318.db2.gz	IBHDKZTWDGUVAO-DDHJBXDOSA-N	1	0	312.370	-0.245	20	5		DBBDRO
C[N@H+](CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1	ZINC001578561693	1020270610	/nfs/dbraw/zinc/27/06/10/1020270610.db2.gz	CLOTUEVEEIVENX-FPQZTECRSA-N	1	0	324.381	-0.101	20	5		DBBDRO
COCC[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC001579010528	1020349621	/nfs/dbraw/zinc/34/96/21/1020349621.db2.gz	LKYRRMGHPFCPOI-NSHDSACASA-N	1	0	311.342	-0.063	20	5		DBBDRO
Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc1[N+](=O)[O-]	ZINC001579731716	1020541556	/nfs/dbraw/zinc/54/15/56/1020541556.db2.gz	SIVYCKXZSVTLQL-ZYHUDNBSSA-N	1	0	315.351	-0.096	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCC([NH3+])CC1	ZINC001579877358	1020583558	/nfs/dbraw/zinc/58/35/58/1020583558.db2.gz	KUMHYFKAZDTQPT-UHFFFAOYSA-N	1	0	310.358	-0.361	20	5		DBBDRO
O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(C2C[NH2+]C2)CC1	ZINC001580474870	1020728939	/nfs/dbraw/zinc/72/89/39/1020728939.db2.gz	BQZBOHFFLIZOEU-CQSZACIVSA-N	1	0	320.349	-0.256	20	5		DBBDRO
O=[N+]([O-])c1cnn(CCNS(=O)(=O)[C@H]2CCC[NH2+]C2)c1	ZINC001580876820	1020811739	/nfs/dbraw/zinc/81/17/39/1020811739.db2.gz	WJLXXIOEQWYOOB-JTQLQIEISA-N	1	0	303.344	-0.537	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001584209709	1021015598	/nfs/dbraw/zinc/01/55/98/1021015598.db2.gz	OPWJTURDFNHJQV-IJLUTSLNSA-N	1	0	310.354	-0.408	20	5		DBBDRO
CN(C(=O)CCn1ccnc1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001585468818	1021058533	/nfs/dbraw/zinc/05/85/33/1021058533.db2.gz	UEBUANPCBRUCBU-VXGBXAGGSA-N	1	0	321.337	-0.392	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1	ZINC001591011918	1021630853	/nfs/dbraw/zinc/63/08/53/1021630853.db2.gz	HLZGWWMSLQIDOQ-ZETCQYMHSA-N	1	0	322.329	-0.309	20	5		DBBDRO
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCNCC[NH2+]CC1	ZINC001522997441	1021950046	/nfs/dbraw/zinc/95/00/46/1021950046.db2.gz	DIYLEYMYNPHIRC-UHFFFAOYSA-N	1	0	308.338	-0.005	20	5		DBBDRO
CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC[NH+](C)C	ZINC001523406186	1022072561	/nfs/dbraw/zinc/07/25/61/1022072561.db2.gz	NYKCGRBWBUCXJE-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
C[N@H+](CCO)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC001558359211	1023958837	/nfs/dbraw/zinc/95/88/37/1023958837.db2.gz	VBRJORNJROXKOU-UHFFFAOYSA-N	1	0	311.294	-0.023	20	5		DBBDRO
CN(C)S(=O)(=O)c1ccc(N2CC=C(N)[NH2+]2)c([N+](=O)[O-])c1	ZINC001559277733	1023984628	/nfs/dbraw/zinc/98/46/28/1023984628.db2.gz	AELGBRQOZWBEIG-UHFFFAOYSA-N	1	0	313.339	-0.030	20	5		DBBDRO
CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001566838243	1024386336	/nfs/dbraw/zinc/38/63/36/1024386336.db2.gz	JDIARXALWSOJJT-YVECIDJPSA-N	1	0	324.381	-0.243	20	5		DBBDRO
Cn1nnc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1	ZINC001567297979	1024616466	/nfs/dbraw/zinc/61/64/66/1024616466.db2.gz	GHWNYBGHLXWEPL-UHFFFAOYSA-N	1	0	319.325	-0.020	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC001567317857	1024629931	/nfs/dbraw/zinc/62/99/31/1024629931.db2.gz	YWBRXTPRIKTNEN-OCCSQVGLSA-N	1	0	309.322	-0.189	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO	ZINC001569470201	1025250633	/nfs/dbraw/zinc/25/06/33/1025250633.db2.gz	OHVCVKOPKKXKOP-JTQLQIEISA-N	1	0	311.342	-0.095	20	5		DBBDRO
C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001573153711	1026539187	/nfs/dbraw/zinc/53/91/87/1026539187.db2.gz	XRXKPPJOMOIYKO-WRWGMCAJSA-N	1	0	312.370	-0.386	20	5		DBBDRO
Nc1nccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-]	ZINC000563406401	412521579	/nfs/dbraw/zinc/52/15/79/412521579.db2.gz	CUUVBUFPURSETB-JTQLQIEISA-N	1	0	323.353	0.149	20	5		DBBDRO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000341865997	138115586	/nfs/dbraw/zinc/11/55/86/138115586.db2.gz	NUQHPGIECXATCV-SNVBAGLBSA-N	1	0	312.330	-0.587	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000340961476	138103011	/nfs/dbraw/zinc/10/30/11/138103011.db2.gz	SUZSHHCSQLFXFK-NSHDSACASA-N	1	0	309.326	-0.008	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])n1	ZINC000358439184	138149824	/nfs/dbraw/zinc/14/98/24/138149824.db2.gz	GONYNGUWRINWNA-MRVPVSSYSA-N	1	0	319.343	-0.841	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)[C@H]2CCCO2)c1	ZINC000447922559	238344417	/nfs/dbraw/zinc/34/44/17/238344417.db2.gz	PNRHYPKJYJCTCL-GRYCIOLGSA-N	1	0	300.315	-0.718	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])n1	ZINC000447253980	238325767	/nfs/dbraw/zinc/32/57/67/238325767.db2.gz	DLGGCXNTURJIFD-JGVFFNPUSA-N	1	0	303.344	-0.221	20	5		DBBDRO
CNC(=O)[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000565539866	284098385	/nfs/dbraw/zinc/09/83/85/284098385.db2.gz	FVUUNQRYJXZXOL-VHSXEESVSA-N	1	0	313.310	-0.969	20	5		DBBDRO
COc1nccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000577742392	374264609	/nfs/dbraw/zinc/26/46/09/374264609.db2.gz	ONRBSKMTDIAVOW-NSHDSACASA-N	1	0	308.298	-0.259	20	5		DBBDRO
C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CC[NH+](C)CC1	ZINC000359798939	374372855	/nfs/dbraw/zinc/37/28/55/374372855.db2.gz	RWCXYKXZRZCQAL-SNVBAGLBSA-N	1	0	322.369	-0.062	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(CO)CCOC1	ZINC000359791026	374373245	/nfs/dbraw/zinc/37/32/45/374373245.db2.gz	GHQIHXIOCZMUPG-NWDGAFQWSA-N	1	0	300.315	-0.765	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(CO)CCOC1	ZINC000359791032	374373994	/nfs/dbraw/zinc/37/39/94/374373994.db2.gz	GHQIHXIOCZMUPG-VXGBXAGGSA-N	1	0	300.315	-0.765	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000247511932	374807066	/nfs/dbraw/zinc/80/70/66/374807066.db2.gz	MOVRCFSCPUDSQW-CHWSQXEVSA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588860532	374769315	/nfs/dbraw/zinc/76/93/15/374769315.db2.gz	GYXFFCSYGXDESN-GHMZBOCLSA-N	1	0	309.326	-0.541	20	5		DBBDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N	ZINC000588866163	374769435	/nfs/dbraw/zinc/76/94/35/374769435.db2.gz	FSOKPXGCDINLCC-MRVPVSSYSA-N	1	0	300.290	-0.032	20	5		DBBDRO
COCC[C@@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000573192640	375147354	/nfs/dbraw/zinc/14/73/54/375147354.db2.gz	ZRYOXEUEWTXMSL-QWHCGFSZSA-N	1	0	314.342	-0.063	20	5		DBBDRO
CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1CCO	ZINC000614894346	375311955	/nfs/dbraw/zinc/31/19/55/375311955.db2.gz	AVWCAFGOWQFSCJ-UHFFFAOYSA-N	1	0	311.342	-0.294	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000264438354	375530659	/nfs/dbraw/zinc/53/06/59/375530659.db2.gz	BLCOEDFJMKAAEP-LLVKDONJSA-N	1	0	324.341	-0.753	20	5		DBBDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1	ZINC000590446960	375541733	/nfs/dbraw/zinc/54/17/33/375541733.db2.gz	XPUOUPBYCAYPFI-CMPLNLGQSA-N	1	0	306.322	-0.081	20	5		DBBDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000590446965	375542042	/nfs/dbraw/zinc/54/20/42/375542042.db2.gz	XPUOUPBYCAYPFI-JQWIXIFHSA-N	1	0	306.322	-0.081	20	5		DBBDRO
O=C(N[C@@H](CO)C[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000590372363	375527311	/nfs/dbraw/zinc/52/73/11/375527311.db2.gz	PBUGHIDJIGHVSJ-SNVBAGLBSA-N	1	0	310.310	-0.118	20	5		DBBDRO
O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000590355367	375528093	/nfs/dbraw/zinc/52/80/93/375528093.db2.gz	SWZPDVXOHIYSKV-NSHDSACASA-N	1	0	321.337	-0.185	20	5		DBBDRO
NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000184812878	375555437	/nfs/dbraw/zinc/55/54/37/375555437.db2.gz	DCGSGJAHPWZXAM-WOPDTQHZSA-N	1	0	311.342	-0.214	20	5		DBBDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1	ZINC000194024067	375633670	/nfs/dbraw/zinc/63/36/70/375633670.db2.gz	BYSVVWLQHHIHCL-WDEREUQCSA-N	1	0	311.342	-0.295	20	5		DBBDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1	ZINC000194024054	375634840	/nfs/dbraw/zinc/63/48/40/375634840.db2.gz	BYSVVWLQHHIHCL-GHMZBOCLSA-N	1	0	311.342	-0.295	20	5		DBBDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000592476992	375807583	/nfs/dbraw/zinc/80/75/83/375807583.db2.gz	LUENHPLPQHSEHF-KOLCDFICSA-N	1	0	310.310	-0.669	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000592556957	375814091	/nfs/dbraw/zinc/81/40/91/375814091.db2.gz	WBZLFBGMVQGPOB-VIFPVBQESA-N	1	0	311.298	-0.695	20	5		DBBDRO
COCC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]CC1	ZINC000592223931	375790321	/nfs/dbraw/zinc/79/03/21/375790321.db2.gz	LNEKTGAZJOJHSA-UHFFFAOYSA-N	1	0	311.342	-0.076	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000592873641	375826663	/nfs/dbraw/zinc/82/66/63/375826663.db2.gz	PSQDTMBSQDRSBX-SECBINFHSA-N	1	0	324.341	-0.480	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000592874029	375826741	/nfs/dbraw/zinc/82/67/41/375826741.db2.gz	QLWNOZHNKMUSQB-QMMMGPOBSA-N	1	0	310.314	-0.490	20	5		DBBDRO
COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000593066297	375843398	/nfs/dbraw/zinc/84/33/98/375843398.db2.gz	KHNUKUTVJVVZMG-YUSALJHKSA-N	1	0	300.315	-0.766	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O	ZINC000593783861	375890829	/nfs/dbraw/zinc/89/08/29/375890829.db2.gz	DLUIONMBMQVWLF-UHFFFAOYSA-N	1	0	310.314	-0.836	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)nc1	ZINC000595109795	375973071	/nfs/dbraw/zinc/97/30/71/375973071.db2.gz	QHEABSCIQXQFMJ-SNVBAGLBSA-N	1	0	316.339	-0.353	20	5		DBBDRO
[NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCO1	ZINC000595109760	375973565	/nfs/dbraw/zinc/97/35/65/375973565.db2.gz	NKKUTIMUACSIBZ-SNVBAGLBSA-N	1	0	316.339	-0.272	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)nc1	ZINC000595109838	375973596	/nfs/dbraw/zinc/97/35/96/375973596.db2.gz	VATLCFHNSQUCOU-VIFPVBQESA-N	1	0	302.312	-0.744	20	5		DBBDRO
O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(O)C[NH2+]C1	ZINC000595950234	376048953	/nfs/dbraw/zinc/04/89/53/376048953.db2.gz	RLKAOYIZNSEIHR-VIFPVBQESA-N	1	0	307.310	-0.663	20	5		DBBDRO
COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000595661081	376027345	/nfs/dbraw/zinc/02/73/45/376027345.db2.gz	DEZHVXYOOXKQRC-GARJFASQSA-N	1	0	314.298	-0.928	20	5		DBBDRO
COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O	ZINC000595662925	376028454	/nfs/dbraw/zinc/02/84/54/376028454.db2.gz	FUALTZOWJBBGRO-CMPLNLGQSA-N	1	0	311.294	-0.323	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1	ZINC000596072511	376070116	/nfs/dbraw/zinc/07/01/16/376070116.db2.gz	DIHFMQFQMAPJFO-UHFFFAOYSA-N	1	0	309.326	-0.094	20	5		DBBDRO
COCC[NH2+]CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000598913254	376228809	/nfs/dbraw/zinc/22/88/09/376228809.db2.gz	GZMZMUYNBIMEHX-UHFFFAOYSA-N	1	0	310.310	-0.115	20	5		DBBDRO
C[NH2+]CC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000599098207	376243189	/nfs/dbraw/zinc/24/31/89/376243189.db2.gz	RAUBJSHDGLTPED-UHFFFAOYSA-N	1	0	317.371	-0.052	20	5		DBBDRO
C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C[NH3+]	ZINC000599103608	376243988	/nfs/dbraw/zinc/24/39/88/376243988.db2.gz	XKEAPIKDKAZYMJ-DTWKUNHWSA-N	1	0	317.371	-0.066	20	5		DBBDRO
C[C@@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[NH2+]1	ZINC000599105757	376244398	/nfs/dbraw/zinc/24/43/98/376244398.db2.gz	QBGOFADZQPBFQB-SFYZADRCSA-N	1	0	303.344	-0.253	20	5		DBBDRO
[NH3+]C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCOCC1	ZINC000599101972	376244963	/nfs/dbraw/zinc/24/49/63/376244963.db2.gz	LQUFWVNLIHLVJX-UHFFFAOYSA-N	1	0	316.339	-0.224	20	5		DBBDRO
C[C@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[NH2+]1	ZINC000599105754	376245289	/nfs/dbraw/zinc/24/52/89/376245289.db2.gz	QBGOFADZQPBFQB-JGVFFNPUSA-N	1	0	303.344	-0.253	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)n1	ZINC000599106404	376245302	/nfs/dbraw/zinc/24/53/02/376245302.db2.gz	GJNPTUVAEKFBJG-QMMMGPOBSA-N	1	0	305.360	-0.020	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)n1	ZINC000599237908	376262904	/nfs/dbraw/zinc/26/29/04/376262904.db2.gz	UMGWEDFSRAEJAJ-SECBINFHSA-N	1	0	317.371	-0.100	20	5		DBBDRO
COc1ccc(NC(=O)Cn2nnnc2CN)c([N+](=O)[O-])c1	ZINC000570043253	376691817	/nfs/dbraw/zinc/69/18/17/376691817.db2.gz	VUQAXHSWECQZGF-UHFFFAOYSA-N	1	0	307.270	-0.313	20	5		DBBDRO
C[NH2+]CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262567012	377030351	/nfs/dbraw/zinc/03/03/51/377030351.db2.gz	DVYPDIINUJNGHY-UHFFFAOYSA-N	1	0	308.294	-0.344	20	5		DBBDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1OC	ZINC000573795892	377143336	/nfs/dbraw/zinc/14/33/36/377143336.db2.gz	SJSXBBSHYBDZOH-YVECIDJPSA-N	1	0	314.342	-0.066	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000574054655	377263354	/nfs/dbraw/zinc/26/33/54/377263354.db2.gz	MOSDGPXAJDEEJM-KOLCDFICSA-N	1	0	304.306	-0.021	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1	ZINC000574756926	378334059	/nfs/dbraw/zinc/33/40/59/378334059.db2.gz	JMQNDEZGSINCCZ-UTUOFQBUSA-N	1	0	300.315	-0.718	20	5		DBBDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000294606522	378407863	/nfs/dbraw/zinc/40/78/63/378407863.db2.gz	JLRWZMWGTBNOOU-ZYHUDNBSSA-N	1	0	311.342	-0.295	20	5		DBBDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000294681370	378429501	/nfs/dbraw/zinc/42/95/01/378429501.db2.gz	PMNOQROBOLRZEQ-GHMZBOCLSA-N	1	0	311.342	-0.295	20	5		DBBDRO
COC[C@](C)(O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582296691	379615230	/nfs/dbraw/zinc/61/52/30/379615230.db2.gz	RHYZXJCUYVFMRD-VXGBXAGGSA-N	1	0	302.331	-0.471	20	5		DBBDRO
CN(C(=O)CN1C[C@@H](O)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1	ZINC000186530770	379763586	/nfs/dbraw/zinc/76/35/86/379763586.db2.gz	WAUDOTAITZGQDH-STQMWFEESA-N	1	0	309.322	-0.015	20	5		DBBDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)c1[nH]nc2c1C[NH2+]CC2	ZINC000188960495	379778059	/nfs/dbraw/zinc/77/80/59/379778059.db2.gz	JTUNEAMQCXEZDG-UHFFFAOYSA-N	1	0	305.298	-0.410	20	5		DBBDRO
CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000584775748	379840779	/nfs/dbraw/zinc/84/07/79/379840779.db2.gz	RSTVMFJFUZJEIM-KOLCDFICSA-N	1	0	320.371	-0.435	20	5		DBBDRO
CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000584775747	379841992	/nfs/dbraw/zinc/84/19/92/379841992.db2.gz	RSTVMFJFUZJEIM-GXSJLCMTSA-N	1	0	320.371	-0.435	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000576957949	380520412	/nfs/dbraw/zinc/52/04/12/380520412.db2.gz	XUADBUKFEJFKGS-PWSUYJOCSA-N	1	0	319.321	-0.318	20	5		DBBDRO
Cc1nn(CCC(=O)N2CCN(C)C[C@H]2C[NH3+])c(C)c1[N+](=O)[O-]	ZINC000576872751	380505896	/nfs/dbraw/zinc/50/58/96/380505896.db2.gz	WHULQULBJSHFKR-GFCCVEGCSA-N	1	0	324.385	-0.100	20	5		DBBDRO
O=C1NCC[C@]12CCC[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000577409208	380565739	/nfs/dbraw/zinc/56/57/39/380565739.db2.gz	SSNWLRCUKXUAKK-WCQYABFASA-N	1	0	309.326	-0.493	20	5		DBBDRO
O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000170358245	380706731	/nfs/dbraw/zinc/70/67/31/380706731.db2.gz	ZJQACNNFKLGNDK-UHFFFAOYSA-N	1	0	321.337	-0.445	20	5		DBBDRO
CN1C[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O	ZINC000581288870	382138979	/nfs/dbraw/zinc/13/89/79/382138979.db2.gz	PDDYCUIKHDDHBC-PWSUYJOCSA-N	1	0	311.342	-0.295	20	5		DBBDRO
O=C(NCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000298255013	382212756	/nfs/dbraw/zinc/21/27/56/382212756.db2.gz	FPVKQGKFPHVHKE-UHFFFAOYSA-N	1	0	310.310	-0.118	20	5		DBBDRO
O=C(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])NCCO	ZINC000581943436	382191074	/nfs/dbraw/zinc/19/10/74/382191074.db2.gz	GWVFFXMMBKTDII-JTQLQIEISA-N	1	0	313.310	-0.967	20	5		DBBDRO
CN(C[C@H](O)C[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000420355518	382507266	/nfs/dbraw/zinc/50/72/66/382507266.db2.gz	PTIVAGXMAMXMQH-OLZOCXBDSA-N	1	0	308.338	-0.049	20	5		DBBDRO
CN(C[C@@H](O)C[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000420355520	382507499	/nfs/dbraw/zinc/50/74/99/382507499.db2.gz	PTIVAGXMAMXMQH-QWHCGFSZSA-N	1	0	308.338	-0.049	20	5		DBBDRO
O=C(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1	ZINC000317412523	382566283	/nfs/dbraw/zinc/56/62/83/382566283.db2.gz	NIRYCHBIGJBJHD-GFCCVEGCSA-N	1	0	311.342	-0.246	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000389961889	382587884	/nfs/dbraw/zinc/58/78/84/382587884.db2.gz	CRJDGEZBANLSLG-SNVBAGLBSA-N	1	0	323.353	-0.140	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1	ZINC000353222409	382640430	/nfs/dbraw/zinc/64/04/30/382640430.db2.gz	YYOCKHIDXHWPLT-QMMMGPOBSA-N	1	0	303.344	-0.220	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])n1	ZINC000353253180	382640523	/nfs/dbraw/zinc/64/05/23/382640523.db2.gz	POGPTZZHMGAIFS-UHFFFAOYSA-N	1	0	303.344	-0.205	20	5		DBBDRO
CN(C)C(=O)NCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000355035190	382642816	/nfs/dbraw/zinc/64/28/16/382642816.db2.gz	UCYVGCIFVVXDRD-LLVKDONJSA-N	1	0	314.346	-0.645	20	5		DBBDRO
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1	ZINC000355328199	382643152	/nfs/dbraw/zinc/64/31/52/382643152.db2.gz	DOKONHJBJGBLCF-QWRGUYRKSA-N	1	0	324.341	-0.492	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@H+](CCO)CC1	ZINC000171681897	382659480	/nfs/dbraw/zinc/65/94/80/382659480.db2.gz	GGJKDBQCZZTSCQ-UHFFFAOYSA-N	1	0	309.326	-0.407	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000175085421	382696562	/nfs/dbraw/zinc/69/65/62/382696562.db2.gz	NRCZXQQEEVWHJC-UHFFFAOYSA-N	1	0	310.358	-0.503	20	5		DBBDRO
COc1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000418920816	392139457	/nfs/dbraw/zinc/13/94/57/392139457.db2.gz	CDJOWSVBMQLDLX-UHFFFAOYSA-N	1	0	322.321	-0.349	20	5		DBBDRO
C[NH2+][C@H](C)CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000419039112	392139583	/nfs/dbraw/zinc/13/95/83/392139583.db2.gz	KOPDDTATUSWUIY-SNVBAGLBSA-N	1	0	308.338	-0.022	20	5		DBBDRO
CC[NH+]1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000427603058	392145729	/nfs/dbraw/zinc/14/57/29/392145729.db2.gz	IWNPFIKHPMAREL-UHFFFAOYSA-N	1	0	310.358	-0.455	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000351876507	392157395	/nfs/dbraw/zinc/15/73/95/392157395.db2.gz	FXUXSLSQDGDVAB-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000394457075	392363070	/nfs/dbraw/zinc/36/30/70/392363070.db2.gz	OSLCASDNJCHSGB-NSHDSACASA-N	1	0	314.367	-0.223	20	5		DBBDRO
CC(C)C(=O)NCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000157602312	392365021	/nfs/dbraw/zinc/36/50/21/392365021.db2.gz	KBOGDOUBDWTITL-LBPRGKRZSA-N	1	0	313.358	-0.144	20	5		DBBDRO
COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1	ZINC000490052928	392476537	/nfs/dbraw/zinc/47/65/37/392476537.db2.gz	IPTSUACKVGQXLB-AAEUAGOBSA-N	1	0	314.342	-0.111	20	5		DBBDRO
COCCO[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000189666810	392675632	/nfs/dbraw/zinc/67/56/32/392675632.db2.gz	YLYYFCNVVZNOSV-QWHCGFSZSA-N	1	0	314.342	-0.111	20	5		DBBDRO
CNc1nccc(C(=O)NCCN2CCOC[C@@H]2C)c1[N+](=O)[O-]	ZINC000584002592	412336324	/nfs/dbraw/zinc/33/63/24/412336324.db2.gz	FTKMSCRYZSGWSD-JTQLQIEISA-N	1	0	323.353	0.482	20	5		DBBDRO
CNc1nccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000582915697	412336559	/nfs/dbraw/zinc/33/65/59/412336559.db2.gz	OZQKCTKQFKAVDI-UWVGGRQHSA-N	1	0	309.326	-0.222	20	5		DBBDRO
COCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1	ZINC000563379109	412488713	/nfs/dbraw/zinc/48/87/13/412488713.db2.gz	VOFAROFVYZIOTG-SECBINFHSA-N	1	0	309.326	0.023	20	5		DBBDRO
COc1ccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-]	ZINC000415744884	544598071	/nfs/dbraw/zinc/59/80/71/544598071.db2.gz	QDTCGQDXLXGNNK-UHFFFAOYSA-N	1	0	308.294	-0.028	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000193808136	265673940	/nfs/dbraw/zinc/67/39/40/265673940.db2.gz	JFGHWVPVXAFNGA-UHFFFAOYSA-N	1	0	310.358	-0.503	20	5		DBBDRO
CC(C)OC[C@@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000433166058	266037401	/nfs/dbraw/zinc/03/74/01/266037401.db2.gz	WTILRDGPJUWSJJ-CHWSQXEVSA-N	1	0	316.358	-0.130	20	5		DBBDRO
NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000441512916	266115504	/nfs/dbraw/zinc/11/55/04/266115504.db2.gz	RLPVPRBKGYUKRG-CMPLNLGQSA-N	1	0	311.342	-0.118	20	5		DBBDRO
COCCN1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515166125	266268888	/nfs/dbraw/zinc/26/88/88/266268888.db2.gz	AGQBJONZIZXYQE-DGCLKSJQSA-N	1	0	313.358	-0.538	20	5		DBBDRO
CC(C)C(=O)NCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000516048957	266276183	/nfs/dbraw/zinc/27/61/83/266276183.db2.gz	SKZJCTWCXBWRBJ-LBPRGKRZSA-N	1	0	313.358	-0.096	20	5		DBBDRO
C[C@@H](CO)[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1	ZINC000357664098	278290331	/nfs/dbraw/zinc/29/03/31/278290331.db2.gz	MGJIFMFEDBTBJA-JTQLQIEISA-N	1	0	323.353	-0.018	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])n1	ZINC000447253981	288702393	/nfs/dbraw/zinc/70/23/93/288702393.db2.gz	DLGGCXNTURJIFD-SFYZADRCSA-N	1	0	303.344	-0.221	20	5		DBBDRO
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1	ZINC000262012425	303382863	/nfs/dbraw/zinc/38/28/63/303382863.db2.gz	WMBMFTSNLRZUTI-VIFPVBQESA-N	1	0	309.326	-0.150	20	5		DBBDRO
CCn1cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000577869125	332312140	/nfs/dbraw/zinc/31/21/40/332312140.db2.gz	WQORSDUPLIKFRH-QMMMGPOBSA-N	1	0	303.344	-0.206	20	5		DBBDRO
C[C@@H](C[NH3+])CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000583554691	335721074	/nfs/dbraw/zinc/72/10/74/335721074.db2.gz	HRWYOGJIQMPWKN-JTQLQIEISA-N	1	0	324.337	-0.199	20	5		DBBDRO
O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1	ZINC000576581678	341853546	/nfs/dbraw/zinc/85/35/46/341853546.db2.gz	KTFSMKXAOOWIOR-NSHDSACASA-N	1	0	324.341	-0.834	20	5		DBBDRO
O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000577271153	341901478	/nfs/dbraw/zinc/90/14/78/341901478.db2.gz	ZJWKGMINCCTESH-CQSZACIVSA-N	1	0	322.321	-0.118	20	5		DBBDRO
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C[C@H](O)[C@@H](O)C1	ZINC000444703880	534325488	/nfs/dbraw/zinc/32/54/88/534325488.db2.gz	KIOJSBMSBJTURP-RYUDHWBXSA-N	1	0	323.305	-0.070	20	5		DBBDRO
CCNC(=O)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C	ZINC000339333917	521746224	/nfs/dbraw/zinc/74/62/24/521746224.db2.gz	BWULFBNTSLREOD-VXGBXAGGSA-N	1	0	313.358	-0.098	20	5		DBBDRO
CNS(=O)(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000339495415	522174075	/nfs/dbraw/zinc/17/40/75/522174075.db2.gz	YMPJCYMGIFUHHR-UHFFFAOYSA-N	1	0	317.371	-0.195	20	5		DBBDRO
COC(=O)COc1ccc(C[NH2+]C[C@@H](O)CO)cc1[N+](=O)[O-]	ZINC000347502033	523224724	/nfs/dbraw/zinc/22/47/24/523224724.db2.gz	SZKULYQHPIDHFX-SNVBAGLBSA-N	1	0	314.294	-0.411	20	5		DBBDRO
CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000247512670	524082043	/nfs/dbraw/zinc/08/20/43/524082043.db2.gz	MPMONXFZGMBBHL-ZYHUDNBSSA-N	1	0	311.342	-0.390	20	5		DBBDRO
C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])nn1C	ZINC000347095540	525086752	/nfs/dbraw/zinc/08/67/52/525086752.db2.gz	RQMAURKKWZOFTJ-UWVGGRQHSA-N	1	0	311.342	-0.145	20	5		DBBDRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C	ZINC000361086947	526077188	/nfs/dbraw/zinc/07/71/88/526077188.db2.gz	PZHZMGISLNANKB-NSHDSACASA-N	1	0	324.337	-0.120	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000358207273	536481977	/nfs/dbraw/zinc/48/19/77/536481977.db2.gz	ZEYPWQDMSAKDPI-LBPRGKRZSA-N	1	0	315.351	-0.060	20	5		DBBDRO
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000346672400	526987033	/nfs/dbraw/zinc/98/70/33/526987033.db2.gz	UJNCPWVNVWBKFE-SQNXGDPESA-N	1	0	323.353	-0.262	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000825856408	607737458	/nfs/dbraw/zinc/73/74/58/607737458.db2.gz	VKZNPSBHZNICOA-GFCCVEGCSA-N	1	0	322.329	-0.106	20	5		DBBDRO
COC[C@@](C)([NH3+])CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000821680519	606710917	/nfs/dbraw/zinc/71/09/17/606710917.db2.gz	LQDNGOWKDHBFJO-NSHDSACASA-N	1	0	308.302	-0.054	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000933389362	664215594	/nfs/dbraw/zinc/21/55/94/664215594.db2.gz	ZGMXUEVVKVSZNB-PWSUYJOCSA-N	1	0	324.385	-0.150	20	5		DBBDRO
C[NH+](C)C1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1	ZINC000991292796	674659305	/nfs/dbraw/zinc/65/93/05/674659305.db2.gz	CRBXKHMUVDMWQW-GHMZBOCLSA-N	1	0	310.354	-0.537	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000974112478	665169695	/nfs/dbraw/zinc/16/96/95/665169695.db2.gz	YXLJPEJIPPIICP-WRWGMCAJSA-N	1	0	310.354	-0.489	20	5		DBBDRO
CNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001040701228	674933281	/nfs/dbraw/zinc/93/32/81/674933281.db2.gz	WNRZTQHYGHCWLJ-VXGBXAGGSA-N	1	0	324.381	-0.288	20	5		DBBDRO
CCc1nn(C)c(N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000262336923	671434323	/nfs/dbraw/zinc/43/43/23/671434323.db2.gz	TUSXDKGHQCXAOH-UHFFFAOYSA-N	1	0	310.358	-0.241	20	5		DBBDRO
CC(C)(C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)[NH+]1CCCC1	ZINC000997372170	678451042	/nfs/dbraw/zinc/45/10/42/678451042.db2.gz	DCFQNYJOAQSKSZ-VXGBXAGGSA-N	1	0	324.381	-0.147	20	5		DBBDRO
Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000997768937	678509105	/nfs/dbraw/zinc/50/91/05/678509105.db2.gz	KZHSQIFJXSSDAG-GHMZBOCLSA-N	1	0	323.357	-0.797	20	5		DBBDRO
O=C(NCC1=CC[N@H+](CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001000675064	678865754	/nfs/dbraw/zinc/86/57/54/678865754.db2.gz	QQFRJLSKWYBJEN-CHWSQXEVSA-N	1	0	320.353	-0.308	20	5		DBBDRO
COC(=O)c1cnc(N2CCN3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164391117	718831732	/nfs/dbraw/zinc/83/17/32/718831732.db2.gz	IWDUQWZHIMZDFJ-NSHDSACASA-N	1	0	321.337	-0.130	20	5		DBBDRO
COC(=O)c1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164391109	718831764	/nfs/dbraw/zinc/83/17/64/718831764.db2.gz	IWDUQWZHIMZDFJ-LLVKDONJSA-N	1	0	321.337	-0.130	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCN2CC[NH2+]C[C@H]2C1	ZINC001164398624	718834839	/nfs/dbraw/zinc/83/48/39/718834839.db2.gz	IAXWHYKLHTUQJC-VIFPVBQESA-N	1	0	313.745	-0.025	20	5		DBBDRO
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN3CC[NH2+]C[C@H]3C2)c1	ZINC001164399511	718836136	/nfs/dbraw/zinc/83/61/36/718836136.db2.gz	YPEXANHOQXEXEV-JTQLQIEISA-N	1	0	313.745	-0.025	20	5		DBBDRO
O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)c1	ZINC000843115001	805609991	/nfs/dbraw/zinc/60/99/91/805609991.db2.gz	FMPQYXGKPIYPKB-STQMWFEESA-N	1	0	307.310	-0.130	20	5		DBBDRO
COCC[NH+]1CCC(OC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000847882664	805817466	/nfs/dbraw/zinc/81/74/66/805817466.db2.gz	SCMVWXVRFULVHC-UHFFFAOYSA-N	1	0	313.314	-0.160	20	5		DBBDRO
Cn1cc(CN[C@](C)(Cn2cccn2)C(N)=O)c([N+](=O)[O-])n1	ZINC001308147289	805933810	/nfs/dbraw/zinc/93/38/10/805933810.db2.gz	BJJQIBKFJSTYGK-GFCCVEGCSA-N	1	0	307.314	-0.441	20	5		DBBDRO
Cc1nonc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001317667486	806222818	/nfs/dbraw/zinc/22/28/18/806222818.db2.gz	AMASVLRLNPOYCM-UHFFFAOYSA-N	1	0	323.313	-0.118	20	5		DBBDRO
CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000861342898	806265239	/nfs/dbraw/zinc/26/52/39/806265239.db2.gz	DXOXGYQZHWXEOG-JOYOIKCWSA-N	1	0	313.314	-0.161	20	5		DBBDRO
Cc1n[nH]c(C(=O)NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001318524218	806309031	/nfs/dbraw/zinc/30/90/31/806309031.db2.gz	RCNJFIGRMCPPMF-UHFFFAOYSA-N	1	0	310.358	-0.006	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC001318701344	806322948	/nfs/dbraw/zinc/32/29/48/806322948.db2.gz	ISOMDRYBMDLCCK-LLVKDONJSA-N	1	0	324.341	-0.633	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(OCCO)CC2)c1	ZINC001319510005	806387081	/nfs/dbraw/zinc/38/70/81/806387081.db2.gz	DTSPKUVUNDIBJC-GFCCVEGCSA-N	1	0	314.342	-0.375	20	5		DBBDRO
C[NH+]1CC2(C1)CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2	ZINC001321617789	806647804	/nfs/dbraw/zinc/64/78/04/806647804.db2.gz	CUZRRERYRLCHKF-UHFFFAOYSA-N	1	0	306.322	-0.079	20	5		DBBDRO
O=C1C[C@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1	ZINC001322285534	806729446	/nfs/dbraw/zinc/72/94/46/806729446.db2.gz	CIZBSDANNLTDAO-WCQYABFASA-N	1	0	309.326	-0.636	20	5		DBBDRO
COC[C@@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000876474846	806783963	/nfs/dbraw/zinc/78/39/63/806783963.db2.gz	ILRADJIYNLNWGQ-WZRBSPASSA-N	1	0	301.343	-0.543	20	5		DBBDRO
O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284915018	804796560	/nfs/dbraw/zinc/79/65/60/804796560.db2.gz	AHSQGNHSEFNQNM-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N	ZINC000808173436	804950166	/nfs/dbraw/zinc/95/01/66/804950166.db2.gz	ISLDLTYYEOJYGL-SSDOTTSWSA-N	1	0	300.290	-0.032	20	5		DBBDRO
CC1(C)OC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)O1	ZINC000819157609	805123625	/nfs/dbraw/zinc/12/36/25/805123625.db2.gz	ZMYUOAZZSIPJQD-MNOVXSKESA-N	1	0	300.315	-0.107	20	5		DBBDRO
O=C1CN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1	ZINC000819218214	805124070	/nfs/dbraw/zinc/12/40/70/805124070.db2.gz	DFYZUSYSAFIDRL-CYBMUJFWSA-N	1	0	308.338	-0.350	20	5		DBBDRO
CC1(C)OCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CO1	ZINC000819226161	805124963	/nfs/dbraw/zinc/12/49/63/805124963.db2.gz	NLUFFGCTXVXRPB-LLVKDONJSA-N	1	0	300.315	-0.107	20	5		DBBDRO
CC1(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)OCCO1	ZINC000819227371	805125244	/nfs/dbraw/zinc/12/52/44/805125244.db2.gz	GKHZBCSXIMJSSC-LLVKDONJSA-N	1	0	300.315	-0.105	20	5		DBBDRO
O=c1ccc([N+](=O)[O-])cn1Cc1nc(N2CC[NH2+]CC2)no1	ZINC000823334601	805230211	/nfs/dbraw/zinc/23/02/11/805230211.db2.gz	ISHCWERYERTOFL-UHFFFAOYSA-N	1	0	306.282	-0.403	20	5		DBBDRO
O=C(Cn1cc(Cl)cc([N+](=O)[O-])c1=O)N1CC[NH2+]CC1	ZINC001326052098	807139358	/nfs/dbraw/zinc/13/93/58/807139358.db2.gz	MDOGVWUWCWPRFT-UHFFFAOYSA-N	1	0	300.702	-0.158	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH2+]C[C@H]2C(F)F)c1	ZINC000923352727	807661859	/nfs/dbraw/zinc/66/18/59/807661859.db2.gz	QPMLISFFMAMVOG-UWVGGRQHSA-N	1	0	305.285	-0.309	20	5		DBBDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001330521314	807728075	/nfs/dbraw/zinc/72/80/75/807728075.db2.gz	VYPBYOOUQFGKKV-SNVBAGLBSA-N	1	0	324.337	-0.186	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([NH+]2CCOCC2)CC1	ZINC001331784004	807831753	/nfs/dbraw/zinc/83/17/53/807831753.db2.gz	LRGBCDKMSDJLBI-UHFFFAOYSA-N	1	0	324.341	-0.491	20	5		DBBDRO
C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C	ZINC001333734163	808092327	/nfs/dbraw/zinc/09/23/27/808092327.db2.gz	ATSDFRHERQDQQJ-VHSXEESVSA-N	1	0	310.358	-0.308	20	5		DBBDRO
CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+](C)CC1	ZINC001334657075	808189235	/nfs/dbraw/zinc/18/92/35/808189235.db2.gz	FPDZFZGIGKARRX-UHFFFAOYSA-N	1	0	323.397	-0.064	20	5		DBBDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1	ZINC001334933986	808214116	/nfs/dbraw/zinc/21/41/16/808214116.db2.gz	LCUOOLXRISZJNH-IONNQARKSA-N	1	0	319.343	-0.935	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccncc2)c1	ZINC001336729096	808413206	/nfs/dbraw/zinc/41/32/06/808413206.db2.gz	XYQGTFLHOJAQCZ-QWHCGFSZSA-N	1	0	307.310	-0.130	20	5		DBBDRO
CC[C@H](C)[C@H]([NH2+]CC[N+](=O)[O-])C(=O)NCCN1CCOCC1	ZINC001338463290	808545531	/nfs/dbraw/zinc/54/55/31/808545531.db2.gz	VRMQGSGHJVKMSV-STQMWFEESA-N	1	0	316.402	-0.284	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC001338866493	808569983	/nfs/dbraw/zinc/56/99/83/808569983.db2.gz	SGEXKMMPUJLVSL-GFCCVEGCSA-N	1	0	323.353	-0.882	20	5		DBBDRO
C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[N@H+](C)CCN1C	ZINC001339070635	808578049	/nfs/dbraw/zinc/57/80/49/808578049.db2.gz	TYRJRPWLCFNJLL-GXSJLCMTSA-N	1	0	310.358	-0.308	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]C[C@@H]1CO)c1ccccc1[N+](=O)[O-]	ZINC001342438162	808730014	/nfs/dbraw/zinc/73/00/14/808730014.db2.gz	GCNXIOINHUXKJU-LLVKDONJSA-N	1	0	308.338	-0.176	20	5		DBBDRO
CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000954660714	809265331	/nfs/dbraw/zinc/26/53/31/809265331.db2.gz	FYWLQLYRGMCGMQ-CHWSQXEVSA-N	1	0	324.381	-0.337	20	5		DBBDRO
CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001020139353	814312156	/nfs/dbraw/zinc/31/21/56/814312156.db2.gz	YUVLOMHUNCNWQM-CNVPUSNMSA-N	1	0	308.342	-0.300	20	5		DBBDRO
Cn1nccc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001020139864	814313434	/nfs/dbraw/zinc/31/34/34/814313434.db2.gz	PUABHAPISFCAAM-FPQZTECRSA-N	1	0	307.354	-0.135	20	5		DBBDRO
Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001034643952	814709107	/nfs/dbraw/zinc/70/91/07/814709107.db2.gz	VVQCLGFAGIIKCS-FPQZTECRSA-N	1	0	322.369	-0.003	20	5		DBBDRO
Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1	ZINC001034643960	814709744	/nfs/dbraw/zinc/70/97/44/814709744.db2.gz	VYHDBGXQZVEUEJ-FPQZTECRSA-N	1	0	322.369	-0.003	20	5		DBBDRO
CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CC[NH+](C)C)C1	ZINC001079747024	823959064	/nfs/dbraw/zinc/95/90/64/823959064.db2.gz	QUNAMTSEJGAXBG-VXGBXAGGSA-N	1	0	312.370	-0.337	20	5		DBBDRO
CCn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086082818	825174736	/nfs/dbraw/zinc/17/47/36/825174736.db2.gz	FCYNXYGWXPGYBW-LYIQGSDWSA-N	1	0	322.369	-0.052	20	5		DBBDRO
Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086083192	825175230	/nfs/dbraw/zinc/17/52/30/825175230.db2.gz	QLCICMKTXVWAJV-RBLKWDMZSA-N	1	0	308.342	-0.535	20	5		DBBDRO
Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001086363326	825242788	/nfs/dbraw/zinc/24/27/88/825242788.db2.gz	OCRMVXZQRUVSEZ-CNVPUSNMSA-N	1	0	308.342	-0.535	20	5		DBBDRO
CC(C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001087256716	825322649	/nfs/dbraw/zinc/32/26/49/825322649.db2.gz	GVWWNXMPFDCVRH-NXEZZACHSA-N	1	0	309.326	-0.038	20	5		DBBDRO
C[NH+](C)CCC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001093193736	826098191	/nfs/dbraw/zinc/09/81/91/826098191.db2.gz	WDXQGAHVXANKQQ-UHFFFAOYSA-N	1	0	323.357	-0.433	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093674549	826157432	/nfs/dbraw/zinc/15/74/32/826157432.db2.gz	ZZQRPEZMUPVIAA-UHFFFAOYSA-N	1	0	311.346	-0.165	20	5		DBBDRO
C[NH+](C)CCC(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001094752362	826280437	/nfs/dbraw/zinc/28/04/37/826280437.db2.gz	PLSTUZRQAGWDHO-UHFFFAOYSA-N	1	0	311.346	-0.163	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@@H]2CCS(=O)(=O)C2)ncnc1C1C[NH2+]C1	ZINC001162498646	833110228	/nfs/dbraw/zinc/11/02/28/833110228.db2.gz	LFEBVIIJXLKHHH-MRVPVSSYSA-N	1	0	313.339	-0.329	20	5		DBBDRO
Nc1nc(=O)c(F)cn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001163004556	833126059	/nfs/dbraw/zinc/12/60/59/833126059.db2.gz	UMVABLSOZGKUMF-UHFFFAOYSA-N	1	0	307.245	-0.419	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1	ZINC001163238892	833140522	/nfs/dbraw/zinc/14/05/22/833140522.db2.gz	PLPUKXMFDVDCNH-NOZJJQNGSA-N	1	0	321.293	-0.234	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])N1	ZINC001163241036	833141503	/nfs/dbraw/zinc/14/15/03/833141503.db2.gz	YNHIWKGMFZLCCK-GZMMTYOYSA-N	1	0	313.701	-0.128	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001163255465	833143819	/nfs/dbraw/zinc/14/38/19/833143819.db2.gz	WNKLIVTZSLNAAK-TVQRCGJNSA-N	1	0	321.293	-0.234	20	5		DBBDRO
[NH3+]CCN(CCO)c1cc([N+](=O)[O-])cc(Br)[n+]1[O-]	ZINC001163836901	833172928	/nfs/dbraw/zinc/17/29/28/833172928.db2.gz	LBTZWNCDXYFBOF-UHFFFAOYSA-N	1	0	321.131	-0.252	20	5		DBBDRO
Cn1cnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001164490976	833213650	/nfs/dbraw/zinc/21/36/50/833213650.db2.gz	VQGHLLNKIDPPKS-GHMZBOCLSA-N	1	0	322.369	-0.144	20	5		DBBDRO
CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001276002696	833232986	/nfs/dbraw/zinc/23/29/86/833232986.db2.gz	WRKBJILONHILIN-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
COC(=O)c1ccnc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1[N+](=O)[O-]	ZINC001165283338	833235790	/nfs/dbraw/zinc/23/57/90/833235790.db2.gz	UCQLBQKKSLIKNR-OTYXRUKQSA-N	1	0	322.321	-0.206	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1	ZINC001165283374	833236109	/nfs/dbraw/zinc/23/61/09/833236109.db2.gz	VVFZFZZGYOADBJ-PELKAZGASA-N	1	0	314.729	-0.100	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1	ZINC001165343137	833242621	/nfs/dbraw/zinc/24/26/21/833242621.db2.gz	BLBYOMILQMUUCV-CQSZACIVSA-N	1	0	324.337	-0.187	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001165438284	833246906	/nfs/dbraw/zinc/24/69/06/833246906.db2.gz	ZXDHBLFAMHEWSB-VIFPVBQESA-N	1	0	311.254	-0.151	20	5		DBBDRO
[NH3+]Cc1cnn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])c1	ZINC001168258290	833320818	/nfs/dbraw/zinc/32/08/18/833320818.db2.gz	MOUUKDKXMCVFLH-UHFFFAOYSA-N	1	0	305.298	-0.134	20	5		DBBDRO
CN1C[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC1=O	ZINC001168725564	833326872	/nfs/dbraw/zinc/32/68/72/833326872.db2.gz	VMEPYZWBWGBZJQ-MRVPVSSYSA-N	1	0	306.326	-0.038	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cnon1	ZINC001168875973	833330397	/nfs/dbraw/zinc/33/03/97/833330397.db2.gz	WGBUXNSXDDJUFW-UHFFFAOYSA-N	1	0	309.286	-0.379	20	5		DBBDRO
Cn1cc([C@@H](CO)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1	ZINC001116670621	828906881	/nfs/dbraw/zinc/90/68/81/828906881.db2.gz	RZEGMWKDVKTSFZ-GFCCVEGCSA-N	1	0	307.310	-0.187	20	5		DBBDRO
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCC1	ZINC001117534442	828989439	/nfs/dbraw/zinc/98/94/39/828989439.db2.gz	SDEPVMLNHDCWEN-LLVKDONJSA-N	1	0	324.337	-0.671	20	5		DBBDRO
Cn1c(=O)cc(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])[nH]c1=O	ZINC001169998529	833347717	/nfs/dbraw/zinc/34/77/17/833347717.db2.gz	KBYRWHZRDRSNQY-UHFFFAOYSA-N	1	0	319.281	-0.386	20	5		DBBDRO
CS(=O)(=O)c1cc(C(=O)NCC2C[NH2+]C2)cc([N+](=O)[O-])c1	ZINC001118143893	829039112	/nfs/dbraw/zinc/03/91/12/829039112.db2.gz	IIVUJPHCLBQIMH-UHFFFAOYSA-N	1	0	313.335	-0.053	20	5		DBBDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001170869522	833361837	/nfs/dbraw/zinc/36/18/37/833361837.db2.gz	HKPRLXYBRRAGIL-HTQZYQBOSA-N	1	0	314.273	-0.070	20	5		DBBDRO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001118868662	829143750	/nfs/dbraw/zinc/14/37/50/829143750.db2.gz	ZZOOCPXBAPEALY-WDEREUQCSA-N	1	0	324.341	-0.836	20	5		DBBDRO
COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC001171741942	833373805	/nfs/dbraw/zinc/37/38/05/833373805.db2.gz	SYUAKSOUUXNDIA-GHMZBOCLSA-N	1	0	312.326	-0.044	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)[C@@H]2CCCO2)c1	ZINC001118960481	829198085	/nfs/dbraw/zinc/19/80/85/829198085.db2.gz	XPTZNGUXARRXEO-WOPDTQHZSA-N	1	0	300.315	-0.718	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC001119455281	829262971	/nfs/dbraw/zinc/26/29/71/829262971.db2.gz	USPLRIPFYVZCOV-PWSUYJOCSA-N	1	0	324.385	-0.150	20	5		DBBDRO
O=C(Cn1cnnn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001123304805	829651085	/nfs/dbraw/zinc/65/10/85/829651085.db2.gz	LMBQABXPMVJSCN-UHFFFAOYSA-N	1	0	311.327	-0.451	20	5		DBBDRO
CS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001124362522	829743399	/nfs/dbraw/zinc/74/33/99/829743399.db2.gz	NHSIBARMISIOQN-UHFFFAOYSA-N	1	0	315.351	-0.155	20	5		DBBDRO
Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1	ZINC001126942676	829971407	/nfs/dbraw/zinc/97/14/07/829971407.db2.gz	DRVBLIBQRKUMSQ-RKDXNWHRSA-N	1	0	311.298	-0.707	20	5		DBBDRO
CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938728	829971432	/nfs/dbraw/zinc/97/14/32/829971432.db2.gz	INLTWECIYJTCQS-NXEZZACHSA-N	1	0	307.372	-0.818	20	5		DBBDRO
O=C(Cn1ncnn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001127433036	830008342	/nfs/dbraw/zinc/00/83/42/830008342.db2.gz	BVXHGPWWBKEXRG-UHFFFAOYSA-N	1	0	305.298	-0.513	20	5		DBBDRO
O=C(Cn1ncnn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001127433095	830008624	/nfs/dbraw/zinc/00/86/24/830008624.db2.gz	DNAVYWJNHMNRTM-UHFFFAOYSA-N	1	0	305.298	-0.513	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC001146376787	831277632	/nfs/dbraw/zinc/27/76/32/831277632.db2.gz	MLYGGBAHXBVSGX-KGLIPLIRSA-N	1	0	322.365	-0.010	20	5		DBBDRO
NC(=O)NCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001154458207	831880767	/nfs/dbraw/zinc/88/07/67/831880767.db2.gz	XRCBAFDGLQNTNN-UHFFFAOYSA-N	1	0	315.355	-0.080	20	5		DBBDRO
COC(=O)c1cnc(N(CC[NH3+])S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC001154765691	831898520	/nfs/dbraw/zinc/89/85/20/831898520.db2.gz	GLRZDSQQYCCVSV-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
CS(=O)(=O)N(CC[NH3+])c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]	ZINC001154770652	831898757	/nfs/dbraw/zinc/89/87/57/831898757.db2.gz	NIKUBQMZSPBZTJ-UHFFFAOYSA-N	1	0	310.719	-0.394	20	5		DBBDRO
CS(=O)(=O)N(CC[NH3+])c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-]	ZINC001154771075	831898850	/nfs/dbraw/zinc/89/88/50/831898850.db2.gz	YYQMQWRFWBTYPE-UHFFFAOYSA-N	1	0	310.719	-0.394	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccnn1C	ZINC001155480917	831935499	/nfs/dbraw/zinc/93/54/99/831935499.db2.gz	VIUBCWNGGMBNPA-UHFFFAOYSA-N	1	0	321.341	-0.029	20	5		DBBDRO
COc1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc(OC)c1[N+](=O)[O-]	ZINC001155505353	831936370	/nfs/dbraw/zinc/93/63/70/831936370.db2.gz	KJLYHBUEHVOJOP-BWZBUEFSSA-N	1	0	311.298	-0.199	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])N1	ZINC001155576668	831940593	/nfs/dbraw/zinc/94/05/93/831940593.db2.gz	RKVKHQQAQHZEBJ-CPCISQLKSA-N	1	0	313.701	-0.128	20	5		DBBDRO
COc1nc(N(C)S(=O)(=O)CC[NH3+])nc(OC)c1[N+](=O)[O-]	ZINC001156237093	831975604	/nfs/dbraw/zinc/97/56/04/831975604.db2.gz	WUEMOHHVSBZAHE-UHFFFAOYSA-N	1	0	321.315	-0.873	20	5		DBBDRO
CN1CC[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1=O	ZINC001156502960	831986804	/nfs/dbraw/zinc/98/68/04/831986804.db2.gz	QGIZUDXHRWPFIX-SECBINFHSA-N	1	0	321.341	-0.563	20	5		DBBDRO
O=C1O[C@H]2C[C@@H]1N(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001157289368	832031681	/nfs/dbraw/zinc/03/16/81/832031681.db2.gz	ZLXUYKSCUDKBJC-IUCAKERBSA-N	1	0	320.309	-0.702	20	5		DBBDRO
Cn1nc(C2CC2)nc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767570	832061634	/nfs/dbraw/zinc/06/16/34/832061634.db2.gz	QYEADROKIFVXKG-GHMZBOCLSA-N	1	0	322.369	-0.046	20	5		DBBDRO
O=C(NCCC[NH2+]Cc1cn(CC2CC2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767268	832061657	/nfs/dbraw/zinc/06/16/57/832061657.db2.gz	KHHDKYXPYRVJAT-CHWSQXEVSA-N	1	0	322.369	-0.051	20	5		DBBDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cnccn1	ZINC001157767032	832061678	/nfs/dbraw/zinc/06/16/78/832061678.db2.gz	DLGRVIYXJCVNAY-NXEZZACHSA-N	1	0	322.325	-0.824	20	5		DBBDRO
COc1nccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001157767402	832061746	/nfs/dbraw/zinc/06/17/46/832061746.db2.gz	LVZOPMYUUWVAMB-GHMZBOCLSA-N	1	0	309.326	-0.254	20	5		DBBDRO
CCCn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775591	832063952	/nfs/dbraw/zinc/06/39/52/832063952.db2.gz	RGYBSRXIBRAVID-NXEZZACHSA-N	1	0	311.346	-0.656	20	5		DBBDRO
CN1C[C@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1=O	ZINC001157909374	832072131	/nfs/dbraw/zinc/07/21/31/832072131.db2.gz	PZIMRORYHHOWCX-QMMMGPOBSA-N	1	0	306.326	-0.038	20	5		DBBDRO
[NH3+][C@@H](CO)Cc1cncn1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]	ZINC001158206191	832099377	/nfs/dbraw/zinc/09/93/77/832099377.db2.gz	BWHQMDYFTSMSHB-SSDOTTSWSA-N	1	0	313.701	-0.071	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH3+])C2(COC2)C1	ZINC001158765184	832134957	/nfs/dbraw/zinc/13/49/57/832134957.db2.gz	VBROUANDYYRFIR-SNVBAGLBSA-N	1	0	308.294	-0.060	20	5		DBBDRO
COC(=O)c1cnc(N2CCN(C)[C@H](CO)C2)c([N+](=O)[O-])c1	ZINC001187271177	833913494	/nfs/dbraw/zinc/91/34/94/833913494.db2.gz	IWAGAXKLIFSZRW-JTQLQIEISA-N	1	0	310.310	-0.111	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1	ZINC001271854808	832709232	/nfs/dbraw/zinc/70/92/32/832709232.db2.gz	VDLZUBPWQCGQHR-YVECIDJPSA-N	1	0	313.354	-0.949	20	5		DBBDRO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCOCCOCC[NH3+]	ZINC001159444956	832817049	/nfs/dbraw/zinc/81/70/49/832817049.db2.gz	BTTXUMXONZUFDK-UHFFFAOYSA-N	1	0	300.315	-0.060	20	5		DBBDRO
NC(=O)[C@@H]([NH3+])CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1	ZINC001249289925	834476693	/nfs/dbraw/zinc/47/66/93/834476693.db2.gz	KOMDLXJUBPGMOA-LURJTMIESA-N	1	0	310.245	-0.076	20	5		DBBDRO
NC(=O)C1(O)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC001194289490	834587235	/nfs/dbraw/zinc/58/72/35/834587235.db2.gz	AQTYQPDDTXNIQC-UHFFFAOYSA-N	1	0	310.310	-0.931	20	5		DBBDRO
C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)NCC(N)=O	ZINC001254587564	834601705	/nfs/dbraw/zinc/60/17/05/834601705.db2.gz	PXFWSZIJKTWEPL-KWQFWETISA-N	1	0	306.322	-0.358	20	5		DBBDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1	ZINC001261246878	834772438	/nfs/dbraw/zinc/77/24/38/834772438.db2.gz	DDNONFAHTQXHFU-MNOVXSKESA-N	1	0	306.322	-0.081	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC2(O)CCOCC2)c1	ZINC001261437896	834784180	/nfs/dbraw/zinc/78/41/80/834784180.db2.gz	OPLHLNAAVTYFTK-GFCCVEGCSA-N	1	0	314.342	-0.327	20	5		DBBDRO
O=C1C[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC001261437287	834784499	/nfs/dbraw/zinc/78/44/99/834784499.db2.gz	ZFXSKSWKNCETOB-GWCFXTLKSA-N	1	0	323.353	-0.247	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3cncn3C2)c1	ZINC001262558977	834960620	/nfs/dbraw/zinc/96/06/20/834960620.db2.gz	VLSRSFMDKRWUCT-GXFFZTMASA-N	1	0	306.326	-0.047	20	5		DBBDRO
O=C(NCCN1CC[NH+](CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001265258321	835117632	/nfs/dbraw/zinc/11/76/32/835117632.db2.gz	GAJAHCGCBMYDFH-VXGBXAGGSA-N	1	0	302.350	-0.255	20	5		DBBDRO
CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001200461757	835130720	/nfs/dbraw/zinc/13/07/20/835130720.db2.gz	IOXRCVMXGPEIEL-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1	ZINC001200462338	835131064	/nfs/dbraw/zinc/13/10/64/835131064.db2.gz	XBONENWOEIWXEZ-VXGBXAGGSA-N	1	0	310.354	-0.489	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cncn1C	ZINC001267399159	835503303	/nfs/dbraw/zinc/50/33/03/835503303.db2.gz	PJRVNSRRQNYRCI-UHFFFAOYSA-N	1	0	321.341	-0.076	20	5		DBBDRO
C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001528038121	1014340823	/nfs/dbraw/zinc/34/08/23/1014340823.db2.gz	UUDVNNSHYCEMSD-CMPLNLGQSA-N	1	0	308.342	-0.704	20	5		DBBDRO
COCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1	ZINC001488802038	1014572186	/nfs/dbraw/zinc/57/21/86/1014572186.db2.gz	LFOWNIBYYHKAJN-MGCOHNPYSA-N	1	0	311.342	-0.041	20	5		DBBDRO
C[C@@H]([NH3+])CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC001348595571	980326570	/nfs/dbraw/zinc/32/65/70/980326570.db2.gz	KVVMBELEYXMLDT-SECBINFHSA-N	1	0	322.321	-0.352	20	5		DBBDRO
Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC001348953623	980392187	/nfs/dbraw/zinc/39/21/87/980392187.db2.gz	UTIQODMIEZFJQE-ZYHUDNBSSA-N	1	0	321.341	-0.343	20	5		DBBDRO
Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001349324219	980455724	/nfs/dbraw/zinc/45/57/24/980455724.db2.gz	CTIXSWOCIRUSCO-DGCLKSJQSA-N	1	0	324.341	-0.921	20	5		DBBDRO
CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC001354094496	980833373	/nfs/dbraw/zinc/83/33/73/980833373.db2.gz	AEYPZAYGPLMUOY-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
C[N@H+](CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1	ZINC001530799669	1014800341	/nfs/dbraw/zinc/80/03/41/1014800341.db2.gz	OCAXLSWHFMOBLS-CHWSQXEVSA-N	1	0	324.381	-0.290	20	5		DBBDRO
CC[N@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001530900892	1014815017	/nfs/dbraw/zinc/81/50/17/1014815017.db2.gz	YQKPEXCDVGLGIO-VXGBXAGGSA-N	1	0	312.370	-0.432	20	5		DBBDRO
CC(C)(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001491017305	1015194344	/nfs/dbraw/zinc/19/43/44/1015194344.db2.gz	GOKFZQSSWXGOCM-LMLFDSFASA-N	1	0	312.370	-0.197	20	5		DBBDRO
O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCC[N@H+]1CC[C@H](O)C1	ZINC001593471874	1016896527	/nfs/dbraw/zinc/89/65/27/1016896527.db2.gz	VQZIVNKISKNUJO-VIFPVBQESA-N	1	0	320.313	-0.352	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1	ZINC001465079303	1009362917	/nfs/dbraw/zinc/36/29/17/1009362917.db2.gz	DDTRWYOBIHRWGQ-JTQLQIEISA-N	1	0	308.342	-0.452	20	5		DBBDRO
CN(CC[N@H+](C)CCO)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC001470573001	1009762982	/nfs/dbraw/zinc/76/29/82/1009762982.db2.gz	XMFSBYHZHRHJIX-UHFFFAOYSA-N	1	0	313.358	-0.091	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001472083917	1009864324	/nfs/dbraw/zinc/86/43/24/1009864324.db2.gz	VOZVMPHPVVRWHB-QMMMGPOBSA-N	1	0	307.310	-0.225	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC(O)CC1	ZINC001472785183	1009894686	/nfs/dbraw/zinc/89/46/86/1009894686.db2.gz	ROSLLCUIEBECDZ-UHFFFAOYSA-N	1	0	309.326	-0.043	20	5		DBBDRO
COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1	ZINC001481228520	1010866307	/nfs/dbraw/zinc/86/63/07/1010866307.db2.gz	ABRZVNYVCYFBDY-GHMZBOCLSA-N	1	0	309.326	-0.302	20	5		DBBDRO
Cn1nncc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1	ZINC001481896516	1011023332	/nfs/dbraw/zinc/02/33/32/1011023332.db2.gz	SVUGNBHGDJZVFB-VXGBXAGGSA-N	1	0	322.369	-0.001	20	5		DBBDRO
CNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001481998337	1011036791	/nfs/dbraw/zinc/03/67/91/1011036791.db2.gz	SKPWIWBAELIIGQ-VXGBXAGGSA-N	1	0	312.370	-0.384	20	5		DBBDRO
CN(CC[N@H+](C)CCO)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC001454172639	1011882201	/nfs/dbraw/zinc/88/22/01/1011882201.db2.gz	VJGWYFOSOSXHTJ-UHFFFAOYSA-N	1	0	312.326	-0.861	20	5		DBBDRO
CN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1	ZINC001499222012	1018034178	/nfs/dbraw/zinc/03/41/78/1018034178.db2.gz	WTJNNACKCPOZGW-GHMZBOCLSA-N	1	0	310.354	-0.489	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001603335982	1018167620	/nfs/dbraw/zinc/16/76/20/1018167620.db2.gz	JPTGKOVIHYRAND-QWRGUYRKSA-N	1	0	324.341	-0.756	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1	ZINC001604856201	1018465804	/nfs/dbraw/zinc/46/58/04/1018465804.db2.gz	VWTXNASWBDIRCP-LBPRGKRZSA-N	1	0	320.313	-0.352	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1	ZINC001604855811	1018466275	/nfs/dbraw/zinc/46/62/75/1018466275.db2.gz	NYOVNWIZRNNDMZ-LBPRGKRZSA-N	1	0	320.313	-0.352	20	5		DBBDRO
CC[NH+](CC)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001501147059	1018584691	/nfs/dbraw/zinc/58/46/91/1018584691.db2.gz	ZXFATXBPGWCBEY-VXGBXAGGSA-N	1	0	314.386	-0.090	20	5		DBBDRO
C[N@H+](CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1	ZINC001501852733	1018887116	/nfs/dbraw/zinc/88/71/16/1018887116.db2.gz	UVHNGRCRKHTEGJ-XCUNLHGCSA-N	1	0	324.381	-0.076	20	5		DBBDRO
O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1	ZINC001607087001	1018948130	/nfs/dbraw/zinc/94/81/30/1018948130.db2.gz	XDCLHFDBGPYWGW-SECBINFHSA-N	1	0	320.313	-0.352	20	5		DBBDRO
CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001502779088	1019174093	/nfs/dbraw/zinc/17/40/93/1019174093.db2.gz	MHHUXGXGYANUGB-GHMZBOCLSA-N	1	0	312.370	-0.290	20	5		DBBDRO
C[NH+](C)CC1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC001612672767	1019773183	/nfs/dbraw/zinc/77/31/83/1019773183.db2.gz	WCYGXVCBNLRKSZ-UHFFFAOYSA-N	1	0	323.353	-0.018	20	5		DBBDRO
C[NH2+]CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC001578707312	1020284457	/nfs/dbraw/zinc/28/44/57/1020284457.db2.gz	LSKRUGHUGAVLRF-UHFFFAOYSA-N	1	0	301.324	-0.053	20	5		DBBDRO
COCC[C@@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC001579010527	1020350273	/nfs/dbraw/zinc/35/02/73/1020350273.db2.gz	LKYRRMGHPFCPOI-LLVKDONJSA-N	1	0	311.342	-0.063	20	5		DBBDRO
Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2O)cc1[N+](=O)[O-]	ZINC001579731714	1020540512	/nfs/dbraw/zinc/54/05/12/1020540512.db2.gz	SIVYCKXZSVTLQL-JQWIXIFHSA-N	1	0	315.351	-0.096	20	5		DBBDRO
Cc1nc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)ncc1[N+](=O)[O-]	ZINC001579862889	1020579205	/nfs/dbraw/zinc/57/92/05/1020579205.db2.gz	OFUVTDPKQXHAQS-SNVBAGLBSA-N	1	0	308.342	-0.015	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])n1	ZINC001579970496	1020607597	/nfs/dbraw/zinc/60/75/97/1020607597.db2.gz	YBASTKMQHNHNGF-GZMMTYOYSA-N	1	0	315.355	-0.170	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[NH2+]CC23CC3)n1	ZINC001579969816	1020607806	/nfs/dbraw/zinc/60/78/06/1020607806.db2.gz	NLABGKRIIVJOCS-MRVPVSSYSA-N	1	0	301.328	-0.641	20	5		DBBDRO
[NH3+]C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCO1	ZINC001580268113	1020677409	/nfs/dbraw/zinc/67/74/09/1020677409.db2.gz	AEGJXZNOSIFEOG-NSHDSACASA-N	1	0	310.310	-0.667	20	5		DBBDRO
O=C(N[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC001580747279	1020795883	/nfs/dbraw/zinc/79/58/83/1020795883.db2.gz	MUTXXDUPVVJTKY-MFKMUULPSA-N	1	0	317.305	-0.157	20	5		DBBDRO
O=[N+]([O-])c1cccnc1N1CCN(C[C@@]2(O)CC[NH2+]C2)CC1	ZINC001580876039	1020811495	/nfs/dbraw/zinc/81/14/95/1020811495.db2.gz	XXCVBSXFDJPJJV-CQSZACIVSA-N	1	0	307.354	-0.164	20	5		DBBDRO
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2	ZINC001581082350	1020823041	/nfs/dbraw/zinc/82/30/41/1020823041.db2.gz	KEKGCWKEQHIZPF-VXGBXAGGSA-N	1	0	324.381	-0.288	20	5		DBBDRO
C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1	ZINC001591011915	1021629993	/nfs/dbraw/zinc/62/99/93/1021629993.db2.gz	HLZGWWMSLQIDOQ-SSDOTTSWSA-N	1	0	322.329	-0.309	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC001591012702	1021638388	/nfs/dbraw/zinc/63/83/88/1021638388.db2.gz	WBPDPDISQCAQOY-LBPRGKRZSA-N	1	0	322.329	-0.106	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001558702677	1023969108	/nfs/dbraw/zinc/96/91/08/1023969108.db2.gz	VZIUTOMPIPTFGU-ZJUUUORDSA-N	1	0	309.326	-0.011	20	5		DBBDRO
C[C@@H]1CN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CCO1	ZINC001559356485	1023981351	/nfs/dbraw/zinc/98/13/51/1023981351.db2.gz	LYZFRLYMHMJKGX-SECBINFHSA-N	1	0	310.310	-0.424	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(CO)CCSCC2)c1	ZINC001559900445	1023996872	/nfs/dbraw/zinc/99/68/72/1023996872.db2.gz	LXDPYEOAXOYJBI-NSHDSACASA-N	1	0	316.383	0.000	20	5		DBBDRO
O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]12	ZINC001560096947	1024005115	/nfs/dbraw/zinc/00/51/15/1024005115.db2.gz	LHVZCCHDSRIADI-UHTWSYAYSA-N	1	0	323.353	-0.247	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC001567317855	1024629138	/nfs/dbraw/zinc/62/91/38/1024629138.db2.gz	YWBRXTPRIKTNEN-GXTWGEPZSA-N	1	0	309.322	-0.189	20	5		DBBDRO
Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001567493753	1024735741	/nfs/dbraw/zinc/73/57/41/1024735741.db2.gz	GIXHWRUUTVUOKW-VXGBXAGGSA-N	1	0	310.358	-0.392	20	5		DBBDRO
Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1	ZINC001568235470	1024882576	/nfs/dbraw/zinc/88/25/76/1024882576.db2.gz	PDAPYFMPRPXNOL-GHMZBOCLSA-N	1	0	322.369	-0.001	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-]	ZINC000547764146	412500797	/nfs/dbraw/zinc/50/07/97/412500797.db2.gz	ZVADHCBYSKSKTH-JTQLQIEISA-N	1	0	322.369	-0.062	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000449699347	529779770	/nfs/dbraw/zinc/77/97/70/529779770.db2.gz	OREIYIBBDSDAJU-LBPRGKRZSA-N	1	0	308.338	-0.007	20	5		DBBDRO
C[NH+](C)CCCNC(=O)CSc1ncc([N+](=O)[O-])c(N)n1	ZINC000581954639	412515539	/nfs/dbraw/zinc/51/55/39/412515539.db2.gz	GAEMVIAAGSIZLZ-UHFFFAOYSA-N	1	0	314.371	0.127	20	5		DBBDRO
Nc1nccc(C(=O)NCC2(N3CCOCC3)CC2)c1[N+](=O)[O-]	ZINC000571175672	412522203	/nfs/dbraw/zinc/52/22/03/412522203.db2.gz	IGFOCLMVPLFABW-UHFFFAOYSA-N	1	0	321.337	0.167	20	5		DBBDRO
C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)NCC[NH+](C)C	ZINC000573695266	412524169	/nfs/dbraw/zinc/52/41/69/412524169.db2.gz	FFFXOVCTKHLEBC-QMMMGPOBSA-N	1	0	324.341	-0.632	20	5		DBBDRO
O=C1CCCN1[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000340976708	138103298	/nfs/dbraw/zinc/10/32/98/138103298.db2.gz	RMNSOJRHTLOCJT-AAEUAGOBSA-N	1	0	323.353	-0.151	20	5		DBBDRO
CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000342368866	138123519	/nfs/dbraw/zinc/12/35/19/138123519.db2.gz	IRRXQMXTLCCHAX-MWLCHTKSSA-N	1	0	312.330	-0.845	20	5		DBBDRO
COc1ccc(NC(=O)CN(CC[NH3+])CCO)c([N+](=O)[O-])c1	ZINC000342395157	138123884	/nfs/dbraw/zinc/12/38/84/138123884.db2.gz	YFCPDQDFDYOFAE-UHFFFAOYSA-N	1	0	312.326	-0.205	20	5		DBBDRO
C[NH+]1CCC(O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000354731957	138136336	/nfs/dbraw/zinc/13/63/36/138136336.db2.gz	JHCCWUWNFHUNLC-UHFFFAOYSA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000377741144	138194268	/nfs/dbraw/zinc/19/42/68/138194268.db2.gz	LVOKNZNUGQHETB-JHJVBQTASA-N	1	0	312.370	-0.826	20	5		DBBDRO
COC[C@@](C)(CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000132556490	283573316	/nfs/dbraw/zinc/57/33/16/283573316.db2.gz	IOUKHTYLLLRPDW-VXGBXAGGSA-N	1	0	302.331	-0.471	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@H+]1CCO	ZINC000452392766	238398578	/nfs/dbraw/zinc/39/85/78/238398578.db2.gz	ROZBWNSHPMRXDV-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000549527480	283800180	/nfs/dbraw/zinc/80/01/80/283800180.db2.gz	SMFVAIBIEKNJEE-UHFFFAOYSA-N	1	0	322.321	-0.235	20	5		DBBDRO
C[C@H](CN1CCCC1=O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000562492484	284011539	/nfs/dbraw/zinc/01/15/39/284011539.db2.gz	PRZBRMVSACHCCE-PWSUYJOCSA-N	1	0	311.342	-0.247	20	5		DBBDRO
[NH3+]CCN(CCO)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000564643854	284064097	/nfs/dbraw/zinc/06/40/97/284064097.db2.gz	APYTWFRHENFTGY-UHFFFAOYSA-N	1	0	312.326	-0.064	20	5		DBBDRO
CCn1c(C)nc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000565232718	284089042	/nfs/dbraw/zinc/08/90/42/284089042.db2.gz	LJWHYVPPUHLTDZ-UWVGGRQHSA-N	1	0	308.342	-0.132	20	5		DBBDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000598184659	376199086	/nfs/dbraw/zinc/19/90/86/376199086.db2.gz	MGKWRUSINUMWRS-UHFFFAOYSA-N	1	0	312.330	-0.590	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)CO)cc1	ZINC000578237563	374340078	/nfs/dbraw/zinc/34/00/78/374340078.db2.gz	SSGJUZMKVMLJFP-JTQLQIEISA-N	1	0	304.324	-0.689	20	5		DBBDRO
CCOC[C@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1	ZINC000609258104	374355051	/nfs/dbraw/zinc/35/50/51/374355051.db2.gz	JXKNWCUNXYSUNM-LLVKDONJSA-N	1	0	313.358	-0.152	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](O)[C@H]([NH+](C)C)C2)n1	ZINC000359982656	374381613	/nfs/dbraw/zinc/38/16/13/374381613.db2.gz	YACOIAJBVZEXJR-GHMZBOCLSA-N	1	0	310.310	-0.113	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H]([NH+](C)C)C2)n1	ZINC000359982658	374381831	/nfs/dbraw/zinc/38/18/31/374381831.db2.gz	YACOIAJBVZEXJR-WDEREUQCSA-N	1	0	310.310	-0.113	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+](C)C)[C@@H](O)C2)n1	ZINC000359982657	374381901	/nfs/dbraw/zinc/38/19/01/374381901.db2.gz	YACOIAJBVZEXJR-MNOVXSKESA-N	1	0	310.310	-0.113	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000579470126	374558059	/nfs/dbraw/zinc/55/80/59/374558059.db2.gz	UZEOPZUEOAKWOZ-JTQLQIEISA-N	1	0	321.337	-0.185	20	5		DBBDRO
C[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000261911561	374602544	/nfs/dbraw/zinc/60/25/44/374602544.db2.gz	WMBMEGHUVVAJFH-MRVPVSSYSA-N	1	0	316.339	-0.664	20	5		DBBDRO
C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000361585609	374776938	/nfs/dbraw/zinc/77/69/38/374776938.db2.gz	QFTBJJXGKDYKMH-CYZMBNFOSA-N	1	0	314.342	-0.376	20	5		DBBDRO
[NH3+]CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262444399	374886169	/nfs/dbraw/zinc/88/61/69/374886169.db2.gz	OVXJIDROJIGDGY-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
NS(=O)(=O)c1cccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-]	ZINC000612654750	375039985	/nfs/dbraw/zinc/03/99/85/375039985.db2.gz	JVIWYMNXGJPDKO-IUCAKERBSA-N	1	0	312.351	-0.102	20	5		DBBDRO
O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000362410269	375009854	/nfs/dbraw/zinc/00/98/54/375009854.db2.gz	MLEKJURHQHVPOX-GXTWGEPZSA-N	1	0	323.353	-0.246	20	5		DBBDRO
O=C1CNCCN1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC000362831717	375030853	/nfs/dbraw/zinc/03/08/53/375030853.db2.gz	SLGPRBAADYVRIE-LBPRGKRZSA-N	1	0	322.369	-0.313	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363195369	375043495	/nfs/dbraw/zinc/04/34/95/375043495.db2.gz	BQYYQWNCIHTYAW-JQWIXIFHSA-N	1	0	309.326	-0.229	20	5		DBBDRO
[NH3+]CCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000262738307	375140454	/nfs/dbraw/zinc/14/04/54/375140454.db2.gz	HTXWOYHUMRUKLQ-UHFFFAOYSA-N	1	0	317.323	-0.007	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@H+]1CCO	ZINC000452389791	375532978	/nfs/dbraw/zinc/53/29/78/375532978.db2.gz	MSUWABPIPNTCFG-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000590355366	375528191	/nfs/dbraw/zinc/52/81/91/375528191.db2.gz	SWZPDVXOHIYSKV-LLVKDONJSA-N	1	0	321.337	-0.185	20	5		DBBDRO
NC(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000566489871	375593041	/nfs/dbraw/zinc/59/30/41/375593041.db2.gz	CQLKZTWZRJAOCZ-UWVGGRQHSA-N	1	0	319.321	-0.558	20	5		DBBDRO
CC[N@H+](CCO)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000187373874	375584466	/nfs/dbraw/zinc/58/44/66/375584466.db2.gz	VTQPWAFQDCDYHO-UHFFFAOYSA-N	1	0	314.346	-0.595	20	5		DBBDRO
C[NH+](C)C1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1	ZINC000541576090	375634439	/nfs/dbraw/zinc/63/44/39/375634439.db2.gz	VEBUEIHZWYDHLL-UHFFFAOYSA-N	1	0	300.340	-0.008	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CC[NH2+]CC2)n1	ZINC000592468492	375807651	/nfs/dbraw/zinc/80/76/51/375807651.db2.gz	ARQQJPAGLZFNPV-UHFFFAOYSA-N	1	0	310.358	-0.212	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000592870845	375826492	/nfs/dbraw/zinc/82/64/92/375826492.db2.gz	GMMCROSNKVDZRC-SECBINFHSA-N	1	0	324.341	-0.480	20	5		DBBDRO
O=[N+]([O-])c1ncccc1S(=O)(=O)NCCN1CC[NH2+]CC1	ZINC000592982983	375841422	/nfs/dbraw/zinc/84/14/22/375841422.db2.gz	PUPZXFKMVYMQFS-UHFFFAOYSA-N	1	0	315.355	-0.827	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593784360	375891389	/nfs/dbraw/zinc/89/13/89/375891389.db2.gz	ODBZBJCNVKVJMP-UHFFFAOYSA-N	1	0	324.341	-0.826	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CCN2C1=O	ZINC000594878372	375966404	/nfs/dbraw/zinc/96/64/04/375966404.db2.gz	HAJVNBWQVNRPOE-WCBMZHEXSA-N	1	0	321.293	-0.921	20	5		DBBDRO
[NH3+]C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F	ZINC000594525815	375936376	/nfs/dbraw/zinc/93/63/76/375936376.db2.gz	WAKFIRYRXOAMGV-ZETCQYMHSA-N	1	0	310.236	-0.020	20	5		DBBDRO
NC(=O)c1cccc([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594603714	375938024	/nfs/dbraw/zinc/93/80/24/375938024.db2.gz	LXNNGUPINXMOTO-VHSXEESVSA-N	1	0	306.322	-0.051	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1	ZINC000595276736	375991570	/nfs/dbraw/zinc/99/15/70/375991570.db2.gz	XHVHDYAKHZHFAS-JTQLQIEISA-N	1	0	322.321	-0.302	20	5		DBBDRO
CO[C@]1(CO)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000595662161	376027282	/nfs/dbraw/zinc/02/72/82/376027282.db2.gz	NHWHNXAFZNNPKT-QWHCGFSZSA-N	1	0	314.342	-0.375	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COCCO1	ZINC000595738485	376030748	/nfs/dbraw/zinc/03/07/48/376030748.db2.gz	JDILLBIXDWNDDG-VXGBXAGGSA-N	1	0	300.315	-0.501	20	5		DBBDRO
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000598915977	376228287	/nfs/dbraw/zinc/22/82/87/376228287.db2.gz	RTOLRQWXNNIEDP-UHFFFAOYSA-N	1	0	320.305	-0.266	20	5		DBBDRO
CN(CCOCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000599110177	376241898	/nfs/dbraw/zinc/24/18/98/376241898.db2.gz	JBDVTTYGQRQNDD-UHFFFAOYSA-N	1	0	304.328	-0.414	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)n1	ZINC000599105427	376244251	/nfs/dbraw/zinc/24/42/51/376244251.db2.gz	HFZZBNDFSKLTSQ-SNVBAGLBSA-N	1	0	303.344	-0.312	20	5		DBBDRO
C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599103976	376244714	/nfs/dbraw/zinc/24/47/14/376244714.db2.gz	YKKZUDBMLGIVST-YUMQZZPRSA-N	1	0	303.344	-0.253	20	5		DBBDRO
C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C[NH3+]	ZINC000599103613	376244845	/nfs/dbraw/zinc/24/48/45/376244845.db2.gz	XKEAPIKDKAZYMJ-RKDXNWHRSA-N	1	0	317.371	-0.066	20	5		DBBDRO
C[C@H]1[NH2+]CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C	ZINC000599109686	376246628	/nfs/dbraw/zinc/24/66/28/376246628.db2.gz	VUISXXHSBKEJAE-SFYZADRCSA-N	1	0	303.344	-0.301	20	5		DBBDRO
C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599107206	376246667	/nfs/dbraw/zinc/24/66/67/376246667.db2.gz	KXJYPMXTDTZHOZ-YUMQZZPRSA-N	1	0	303.344	-0.395	20	5		DBBDRO
CCn1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])n1	ZINC000599111350	376248284	/nfs/dbraw/zinc/24/82/84/376248284.db2.gz	HXHQEDLVAVTEBZ-JGVFFNPUSA-N	1	0	303.344	-0.160	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)n1	ZINC000599228843	376262424	/nfs/dbraw/zinc/26/24/24/376262424.db2.gz	KBKWOEZHSZSOIW-VIFPVBQESA-N	1	0	317.371	-0.052	20	5		DBBDRO
O=C1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCCN12	ZINC000568859498	376608295	/nfs/dbraw/zinc/60/82/95/376608295.db2.gz	MXZNJQTXDRFRQW-AVGNSLFASA-N	1	0	323.353	-0.105	20	5		DBBDRO
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000568864506	376610531	/nfs/dbraw/zinc/61/05/31/376610531.db2.gz	TWGMDFONXMUGKV-VIFPVBQESA-N	1	0	324.341	-0.222	20	5		DBBDRO
Cc1n[nH]c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000568895863	376611342	/nfs/dbraw/zinc/61/13/42/376611342.db2.gz	SJMBHXOQSZBHFB-QMMMGPOBSA-N	1	0	312.330	-0.578	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[NH2+]CCCO1	ZINC000569221210	376638494	/nfs/dbraw/zinc/63/84/94/376638494.db2.gz	JXNSLJMBLKAGMP-NSHDSACASA-N	1	0	311.342	-0.015	20	5		DBBDRO
C[NH+](C)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000572057552	376789428	/nfs/dbraw/zinc/78/94/28/376789428.db2.gz	NAKZGSOPPPLOKP-QWRGUYRKSA-N	1	0	311.342	-0.340	20	5		DBBDRO
Cn1c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)ccc1[N+](=O)[O-]	ZINC000342846486	377078572	/nfs/dbraw/zinc/07/85/72/377078572.db2.gz	DUUJKPYBGCKCMM-UHFFFAOYSA-N	1	0	323.353	-0.221	20	5		DBBDRO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]12	ZINC000185167148	378351196	/nfs/dbraw/zinc/35/11/96/378351196.db2.gz	BFGIOIIQTKVWNI-YUSALJHKSA-N	1	0	306.322	-0.048	20	5		DBBDRO
NS(=O)(=O)C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000357921907	378378930	/nfs/dbraw/zinc/37/89/30/378378930.db2.gz	WNRGZMYXDLWGGN-SNVBAGLBSA-N	1	0	317.371	-0.208	20	5		DBBDRO
CO[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000160318020	378447031	/nfs/dbraw/zinc/44/70/31/378447031.db2.gz	WYCOEPBKLCOVSL-NWDGAFQWSA-N	1	0	300.315	-0.453	20	5		DBBDRO
CO[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000160318272	378447240	/nfs/dbraw/zinc/44/72/40/378447240.db2.gz	WYCOEPBKLCOVSL-VXGBXAGGSA-N	1	0	300.315	-0.453	20	5		DBBDRO
C[C@H](CO)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C)O	ZINC000248879831	379816625	/nfs/dbraw/zinc/81/66/25/379816625.db2.gz	CZEAJUACXMYKRP-JFGNBEQYSA-N	1	0	302.331	-0.784	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](OCCO)C2)c1	ZINC000075745436	380428714	/nfs/dbraw/zinc/42/87/14/380428714.db2.gz	MOVRCFSCPUDSQW-STQMWFEESA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000238011456	380484525	/nfs/dbraw/zinc/48/45/25/380484525.db2.gz	YNBFIXVTLPLOBB-NEPJUHHUSA-N	1	0	320.349	-0.034	20	5		DBBDRO
O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1	ZINC000237994425	380475057	/nfs/dbraw/zinc/47/50/57/380475057.db2.gz	WDIQNUUODGUIGZ-UHFFFAOYSA-N	1	0	308.338	-0.005	20	5		DBBDRO
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000238006918	380481230	/nfs/dbraw/zinc/48/12/30/380481230.db2.gz	QTAKHIBETVIIKQ-ZIAGYGMSSA-N	1	0	320.349	-0.034	20	5		DBBDRO
Cn1nc2c(cc1=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2	ZINC000174881541	380829071	/nfs/dbraw/zinc/82/90/71/380829071.db2.gz	JONWCPFSEBSGHF-UHFFFAOYSA-N	1	0	304.310	-0.057	20	5		DBBDRO
CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000301143682	381278019	/nfs/dbraw/zinc/27/80/19/381278019.db2.gz	HVYYHXOXLQLDCC-UHFFFAOYSA-N	1	0	323.353	-0.018	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000581081371	382129268	/nfs/dbraw/zinc/12/92/68/382129268.db2.gz	JBTNRLVYDHRNEB-AWEZNQCLSA-N	1	0	321.337	-0.242	20	5		DBBDRO
CN(CC[NH3+])C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000423566880	382531192	/nfs/dbraw/zinc/53/11/92/382531192.db2.gz	CKNHUIQLIQOIHT-UHFFFAOYSA-N	1	0	322.321	-0.399	20	5		DBBDRO
CCn1cc(S(=O)(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])n1	ZINC000330461960	382595386	/nfs/dbraw/zinc/59/53/86/382595386.db2.gz	XVIHHTCWACXVLY-UHFFFAOYSA-N	1	0	305.360	-0.007	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000330644278	382596382	/nfs/dbraw/zinc/59/63/82/382596382.db2.gz	HRDLJVWZDJGZOJ-LLVKDONJSA-N	1	0	310.358	-0.457	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])n1	ZINC000353245431	382640580	/nfs/dbraw/zinc/64/05/80/382640580.db2.gz	HLIXPFANQIMTNQ-MRVPVSSYSA-N	1	0	303.344	-0.206	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])n1	ZINC000353222405	382640611	/nfs/dbraw/zinc/64/06/11/382640611.db2.gz	YYOCKHIDXHWPLT-MRVPVSSYSA-N	1	0	303.344	-0.220	20	5		DBBDRO
CC[NH+]1CCN([C@H](C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000353884741	382642004	/nfs/dbraw/zinc/64/20/04/382642004.db2.gz	ZTBNLJSYAJGMSJ-GFCCVEGCSA-N	1	0	324.385	-0.067	20	5		DBBDRO
CN(C)C(=O)NCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000355035200	382642956	/nfs/dbraw/zinc/64/29/56/382642956.db2.gz	UCYVGCIFVVXDRD-NSHDSACASA-N	1	0	314.346	-0.645	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O	ZINC000356482094	382644946	/nfs/dbraw/zinc/64/49/46/382644946.db2.gz	QRQDVUFEVHZVDQ-SECBINFHSA-N	1	0	324.341	-0.602	20	5		DBBDRO
COCCC[N@H+](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000357344692	382645499	/nfs/dbraw/zinc/64/54/99/382645499.db2.gz	QBCGZXYLSQASKI-UHFFFAOYSA-N	1	0	300.319	-0.729	20	5		DBBDRO
Cn1cc(CN2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])n1	ZINC000602763528	382639757	/nfs/dbraw/zinc/63/97/57/382639757.db2.gz	PNMDKRCAGOLYLJ-UHFFFAOYSA-N	1	0	310.358	-0.466	20	5		DBBDRO
CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000174737184	382695135	/nfs/dbraw/zinc/69/51/35/382695135.db2.gz	JPQNJBIUCLMVHD-YPMHNXCESA-N	1	0	311.342	-0.247	20	5		DBBDRO
COC[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CCC[NH2+]1	ZINC000357269916	220704426	/nfs/dbraw/zinc/70/44/26/220704426.db2.gz	JPLFGAAUXJIUQI-ZDUSSCGKSA-N	1	0	311.342	-0.015	20	5		DBBDRO
C[C@H](C[NH+]1CCOCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000273109848	130091283	/nfs/dbraw/zinc/09/12/83/130091283.db2.gz	QZIIBLDIIGCUKA-LLVKDONJSA-N	1	0	311.342	-0.124	20	5		DBBDRO
COCCC[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000275460136	130323543	/nfs/dbraw/zinc/32/35/43/130323543.db2.gz	NAGCJIJJTIGFRI-LBPRGKRZSA-N	1	0	302.331	-0.517	20	5		DBBDRO
C[NH+](C)CCOCCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000471660092	392151570	/nfs/dbraw/zinc/15/15/70/392151570.db2.gz	VYERHVZOHHLQRP-UHFFFAOYSA-N	1	0	314.346	-0.331	20	5		DBBDRO
NS(=O)(=O)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC000350167870	392153305	/nfs/dbraw/zinc/15/33/05/392153305.db2.gz	XNMAVAKHOVFLMV-JTQLQIEISA-N	1	0	317.371	-0.208	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000351592965	392156974	/nfs/dbraw/zinc/15/69/74/392156974.db2.gz	LPCGSGOCUOSZHX-JTQLQIEISA-N	1	0	322.369	-0.062	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000171133705	392161568	/nfs/dbraw/zinc/16/15/68/392161568.db2.gz	LTUQUWYTIFBAFN-NSHDSACASA-N	1	0	324.385	-0.148	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000289360861	131377664	/nfs/dbraw/zinc/37/76/64/131377664.db2.gz	ZERWZFXGSFVICL-GFCCVEGCSA-N	1	0	322.369	-0.313	20	5		DBBDRO
O=C1CCCN1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000610335878	392451873	/nfs/dbraw/zinc/45/18/73/392451873.db2.gz	YKUJILXIDDQPTF-LBPRGKRZSA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000290184069	131462380	/nfs/dbraw/zinc/46/23/80/131462380.db2.gz	PVSGAJCSXFOUDT-WDEREUQCSA-N	1	0	306.322	-0.176	20	5		DBBDRO
CC(C)(C(=O)NCCCN1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1	ZINC000158858958	392573298	/nfs/dbraw/zinc/57/32/98/392573298.db2.gz	BYBDQRYXLKYZLD-UHFFFAOYSA-N	1	0	324.385	-0.062	20	5		DBBDRO
C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)NCC[NH+](C)C	ZINC000566460952	392804974	/nfs/dbraw/zinc/80/49/74/392804974.db2.gz	DAMGLGVJUBFLAH-VIFPVBQESA-N	1	0	311.342	-0.271	20	5		DBBDRO
C[NH+]1CCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000298330030	132056608	/nfs/dbraw/zinc/05/66/08/132056608.db2.gz	WSQWPFIHNVZYHF-UHFFFAOYSA-N	1	0	308.342	-0.252	20	5		DBBDRO
CNc1nccc(C(=O)NCCN2CCOC[C@H]2C)c1[N+](=O)[O-]	ZINC000584002593	412336791	/nfs/dbraw/zinc/33/67/91/412336791.db2.gz	FTKMSCRYZSGWSD-SNVBAGLBSA-N	1	0	323.353	0.482	20	5		DBBDRO
CC[N@H+](CCO)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-]	ZINC000576120578	412406430	/nfs/dbraw/zinc/40/64/30/412406430.db2.gz	JWTRTFBQOVRWLA-UHFFFAOYSA-N	1	0	311.342	0.076	20	5		DBBDRO
Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cccc1[N+](=O)[O-]	ZINC000361085488	418941979	/nfs/dbraw/zinc/94/19/79/418941979.db2.gz	HZWIPHSOLXUERP-JTQLQIEISA-N	1	0	324.337	-0.120	20	5		DBBDRO
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000361087301	418942500	/nfs/dbraw/zinc/94/25/00/418942500.db2.gz	RRDVUKFGJQXKSY-LLVKDONJSA-N	1	0	324.337	-0.120	20	5		DBBDRO
C[NH2+][C@H](C)CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000418926832	265758005	/nfs/dbraw/zinc/75/80/05/265758005.db2.gz	VPYSTHCQYRQPGW-SNVBAGLBSA-N	1	0	308.338	-0.022	20	5		DBBDRO
CC[NH2+]CCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000419046510	265762862	/nfs/dbraw/zinc/76/28/62/265762862.db2.gz	YMUGGNVXAMTEIV-UHFFFAOYSA-N	1	0	308.338	-0.021	20	5		DBBDRO
C[C@H](C[NH3+])CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000419041971	265762946	/nfs/dbraw/zinc/76/29/46/265762946.db2.gz	OJBIGIKSKYESEI-SNVBAGLBSA-N	1	0	308.338	-0.036	20	5		DBBDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000429790370	265993226	/nfs/dbraw/zinc/99/32/26/265993226.db2.gz	TVRUKWNRZAQVKW-QJPTWQEYSA-N	1	0	311.342	-0.344	20	5		DBBDRO
COCCN1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515166124	266269123	/nfs/dbraw/zinc/26/91/23/266269123.db2.gz	AGQBJONZIZXYQE-AAEUAGOBSA-N	1	0	313.358	-0.538	20	5		DBBDRO
CC(C)C(=O)NCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000516048956	266276533	/nfs/dbraw/zinc/27/65/33/266276533.db2.gz	SKZJCTWCXBWRBJ-GFCCVEGCSA-N	1	0	313.358	-0.096	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000517257392	266292748	/nfs/dbraw/zinc/29/27/48/266292748.db2.gz	MWHRTYFEKLCFTG-AWEZNQCLSA-N	1	0	323.353	-0.327	20	5		DBBDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000332672723	279113259	/nfs/dbraw/zinc/11/32/59/279113259.db2.gz	FQQNCJDSKXVAGO-NXEZZACHSA-N	1	0	311.342	-0.145	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000570741279	332810056	/nfs/dbraw/zinc/81/00/56/332810056.db2.gz	XWIAEWCSRFEZPA-STQMWFEESA-N	1	0	318.333	-0.092	20	5		DBBDRO
O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCCN12	ZINC000583435942	332405748	/nfs/dbraw/zinc/40/57/48/332405748.db2.gz	KTKRBOAPYJOGCH-RAIGVLPGSA-N	1	0	323.353	-0.105	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000193054661	333022370	/nfs/dbraw/zinc/02/23/70/333022370.db2.gz	GEQFZRYRBHPCPH-UHFFFAOYSA-N	1	0	324.341	-0.976	20	5		DBBDRO
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)NCC[NH+](C)C	ZINC000583285356	337305540	/nfs/dbraw/zinc/30/55/40/337305540.db2.gz	UKCMALIMJVSKAK-SECBINFHSA-N	1	0	323.353	-0.027	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)CN2CCCC2)c1	ZINC000566233102	341551467	/nfs/dbraw/zinc/55/14/67/341551467.db2.gz	XRRHFMVDKQOJGF-WCQYABFASA-N	1	0	313.358	-0.802	20	5		DBBDRO
O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000577271152	341901500	/nfs/dbraw/zinc/90/15/00/341901500.db2.gz	ZJWKGMINCCTESH-AWEZNQCLSA-N	1	0	322.321	-0.118	20	5		DBBDRO
C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	ZINC000237093288	522009961	/nfs/dbraw/zinc/00/99/61/522009961.db2.gz	PMBLLIWLYDLTCD-UHFFFAOYSA-N	1	0	301.324	-0.053	20	5		DBBDRO
COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266561591	523500749	/nfs/dbraw/zinc/50/07/49/523500749.db2.gz	XZLRYGNWQRYWDP-GXSJLCMTSA-N	1	0	300.315	-0.107	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000264717065	523887116	/nfs/dbraw/zinc/88/71/16/523887116.db2.gz	CISJBDVGIVUFOV-SNVBAGLBSA-N	1	0	309.326	-0.329	20	5		DBBDRO
CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000247512665	524114893	/nfs/dbraw/zinc/11/48/93/524114893.db2.gz	MPMONXFZGMBBHL-CMPLNLGQSA-N	1	0	311.342	-0.390	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000413813909	534826199	/nfs/dbraw/zinc/82/61/99/534826199.db2.gz	IIJMILPTWRLHKE-SNVBAGLBSA-N	1	0	311.342	-0.095	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC000413813902	534826628	/nfs/dbraw/zinc/82/66/28/534826628.db2.gz	IIJMILPTWRLHKE-JTQLQIEISA-N	1	0	311.342	-0.095	20	5		DBBDRO
Cc1c(C(=O)N[C@@H](C)C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000347701377	525634414	/nfs/dbraw/zinc/63/44/14/525634414.db2.gz	YDXYVRBHYUOWIG-LURJTMIESA-N	1	0	316.339	-0.372	20	5		DBBDRO
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000346672395	526986327	/nfs/dbraw/zinc/98/63/27/526986327.db2.gz	UJNCPWVNVWBKFE-JHEVNIALSA-N	1	0	323.353	-0.262	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1	ZINC000332014100	527328125	/nfs/dbraw/zinc/32/81/25/527328125.db2.gz	RCCFPADMKAKNSQ-ONGXEEELSA-N	1	0	309.326	-0.127	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1	ZINC000331815522	527375204	/nfs/dbraw/zinc/37/52/04/527375204.db2.gz	NLVDPYSJUVRWQF-NWDGAFQWSA-N	1	0	313.335	-0.044	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000266273872	527378076	/nfs/dbraw/zinc/37/80/76/527378076.db2.gz	YHUODZSFMBOTTN-LBPRGKRZSA-N	1	0	323.353	-0.028	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@H]2CCO)c1	ZINC000347384677	527416283	/nfs/dbraw/zinc/41/62/83/527416283.db2.gz	WZDNTFSNOBYLHR-ZYHUDNBSSA-N	1	0	316.383	-0.048	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000347464852	527576538	/nfs/dbraw/zinc/57/65/38/527576538.db2.gz	OYVHRFBWSRFUHX-SNVBAGLBSA-N	1	0	311.342	-0.095	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCNC1=O	ZINC000369827990	536443216	/nfs/dbraw/zinc/44/32/16/536443216.db2.gz	CEGXIKGZWDONPT-RYUDHWBXSA-N	1	0	311.342	-0.247	20	5		DBBDRO
C[NH+](C)C[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000736763697	598497129	/nfs/dbraw/zinc/49/71/29/598497129.db2.gz	NSPGWBMBDYPVQF-MRVPVSSYSA-N	1	0	308.302	-0.496	20	5		DBBDRO
C[NH+](C)C[C@H](O)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000821583209	607167354	/nfs/dbraw/zinc/16/73/54/607167354.db2.gz	MIGJYXYNEDYDAP-SSDOTTSWSA-N	1	0	308.302	-0.496	20	5		DBBDRO
C[N@H+](CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1	ZINC000991289375	674656061	/nfs/dbraw/zinc/65/60/61/674656061.db2.gz	YPFPAQNRTNUUBK-VXGBXAGGSA-N	1	0	310.354	-0.537	20	5		DBBDRO
CO[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000209457273	665219830	/nfs/dbraw/zinc/21/98/30/665219830.db2.gz	VGZYRRZYSGENGS-GHMZBOCLSA-N	1	0	301.324	-0.140	20	5		DBBDRO
C[NH+]1C[C@]2(C)CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@]2(C)C1	ZINC000913288032	674797630	/nfs/dbraw/zinc/79/76/30/674797630.db2.gz	ANENEJZQXZIVFQ-CHWSQXEVSA-N	1	0	308.342	-0.014	20	5		DBBDRO
C[N@H+]1C[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]2C1	ZINC000893753758	670567041	/nfs/dbraw/zinc/56/70/41/670567041.db2.gz	TYDJTTZGVKRYOV-PHIMTYICSA-N	1	0	308.342	-0.006	20	5		DBBDRO
CN(Cc1nnnn1C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985431205	671481586	/nfs/dbraw/zinc/48/15/86/671481586.db2.gz	OELNBTHWMQMERP-GHMZBOCLSA-N	1	0	323.357	-0.702	20	5		DBBDRO
Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1	ZINC000996429662	678246998	/nfs/dbraw/zinc/24/69/98/678246998.db2.gz	RSYCTOFADNPWGY-GHMZBOCLSA-N	1	0	308.342	-0.141	20	5		DBBDRO
O=C(NCC1CC[NH+](CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001001399620	678928705	/nfs/dbraw/zinc/92/87/05/678928705.db2.gz	LSOWGJRACYBIBV-CHWSQXEVSA-N	1	0	322.369	-0.229	20	5		DBBDRO
O=C(NC1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001002784295	679001393	/nfs/dbraw/zinc/00/13/93/679001393.db2.gz	JCPDISDNLUYFNZ-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@@H]3C2)n1	ZINC001164398950	718834016	/nfs/dbraw/zinc/83/40/16/718834016.db2.gz	MQULAMDIBXXDBZ-SNVBAGLBSA-N	1	0	308.342	-0.204	20	5		DBBDRO
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)cc1	ZINC000843117610	805609602	/nfs/dbraw/zinc/60/96/02/805609602.db2.gz	QUQBVZPQPPBEHV-CHWSQXEVSA-N	1	0	307.310	-0.130	20	5		DBBDRO
[NH3+]C[C@@H]1CC(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)=NO1	ZINC000852889664	805987383	/nfs/dbraw/zinc/98/73/83/805987383.db2.gz	PIYUDTOBORDJDQ-JTQLQIEISA-N	1	0	305.294	-0.022	20	5		DBBDRO
C[NH+](C)C[C@H](CO)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000854466360	806038347	/nfs/dbraw/zinc/03/83/47/806038347.db2.gz	BKLVJARIMIFWRG-LLVKDONJSA-N	1	0	321.337	-0.017	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)n1	ZINC000858614642	806152988	/nfs/dbraw/zinc/15/29/88/806152988.db2.gz	PAGGWEIPQYOYCX-LLVKDONJSA-N	1	0	315.355	-0.155	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccncn1	ZINC001317638503	806213716	/nfs/dbraw/zinc/21/37/16/806213716.db2.gz	CCICEXORSLOQRE-UHFFFAOYSA-N	1	0	319.325	-0.020	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC001318302057	806282173	/nfs/dbraw/zinc/28/21/73/806282173.db2.gz	KQMFERNFYPYZGX-UHFFFAOYSA-N	1	0	323.353	-0.880	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1CC[NH+](C)CC1	ZINC001319753083	806406262	/nfs/dbraw/zinc/40/62/62/806406262.db2.gz	KKGVRXVGOUREPM-UHFFFAOYSA-N	1	0	310.358	-0.304	20	5		DBBDRO
CN(CCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O	ZINC001279437730	803885650	/nfs/dbraw/zinc/88/56/50/803885650.db2.gz	YDPJWUMDWWWQIE-UHFFFAOYSA-N	1	0	324.337	-0.355	20	5		DBBDRO
CS(=O)(=O)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001280480229	803963725	/nfs/dbraw/zinc/96/37/25/803963725.db2.gz	GQVIPKXVWSSBML-NXEZZACHSA-N	1	0	319.383	-0.675	20	5		DBBDRO
COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	ZINC000794963811	804752659	/nfs/dbraw/zinc/75/26/59/804752659.db2.gz	KILUBQQQXOZIHQ-WYUUTHIRSA-N	1	0	310.310	-0.497	20	5		DBBDRO
Nc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000832410121	805479600	/nfs/dbraw/zinc/47/96/00/805479600.db2.gz	RFLPDVCYNHNFDE-UHFFFAOYSA-N	1	0	307.310	-0.661	20	5		DBBDRO
CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC001325991752	807129100	/nfs/dbraw/zinc/12/91/00/807129100.db2.gz	YLTHEMQOJKTVFB-UHFFFAOYSA-N	1	0	321.337	-0.202	20	5		DBBDRO
Cn1ncc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1	ZINC001326821795	807216037	/nfs/dbraw/zinc/21/60/37/807216037.db2.gz	IKSZZIVQXSNQQY-GHMZBOCLSA-N	1	0	308.342	-0.391	20	5		DBBDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001329518813	807580151	/nfs/dbraw/zinc/58/01/51/807580151.db2.gz	CGEMPWSTNDXTRY-UWVGGRQHSA-N	1	0	312.301	-0.085	20	5		DBBDRO
NC(=O)c1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1	ZINC001331629990	807805094	/nfs/dbraw/zinc/80/50/94/807805094.db2.gz	UCDKELLFKRRVRU-RYUDHWBXSA-N	1	0	309.322	-0.274	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001331730168	807822393	/nfs/dbraw/zinc/82/23/93/807822393.db2.gz	JUIOOAPQALORFC-VHSXEESVSA-N	1	0	309.326	-0.391	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001332151877	807878448	/nfs/dbraw/zinc/87/84/48/807878448.db2.gz	ILVLGAQJEARKMB-SNVBAGLBSA-N	1	0	308.342	-0.552	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000946803929	808140245	/nfs/dbraw/zinc/14/02/45/808140245.db2.gz	BQMOGYOKLUWTJF-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[N@H+](C)CCN1C	ZINC001339070636	808578379	/nfs/dbraw/zinc/57/83/79/808578379.db2.gz	TYRJRPWLCFNJLL-KOLCDFICSA-N	1	0	310.358	-0.308	20	5		DBBDRO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C2CC[NH+](C)CC2)C1	ZINC000954239304	809199550	/nfs/dbraw/zinc/19/95/50/809199550.db2.gz	DNWOGLPVXLMCSZ-CHWSQXEVSA-N	1	0	324.381	-0.337	20	5		DBBDRO
CN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000954847129	809301730	/nfs/dbraw/zinc/30/17/30/809301730.db2.gz	QPPSUAGXORVDEV-VXGBXAGGSA-N	1	0	322.365	-0.583	20	5		DBBDRO
CCc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1C	ZINC001020138805	814311678	/nfs/dbraw/zinc/31/16/78/814311678.db2.gz	BGNQRYANSFSNBN-GWOFURMSSA-N	1	0	322.369	-0.221	20	5		DBBDRO
Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001020139261	814311931	/nfs/dbraw/zinc/31/19/31/814311931.db2.gz	WHVKUEUISZAZOC-FDYHWXHSSA-N	1	0	322.369	-0.203	20	5		DBBDRO
NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2	ZINC001035187272	814864250	/nfs/dbraw/zinc/86/42/50/814864250.db2.gz	SSLQNERPCQCFLJ-GHMZBOCLSA-N	1	0	310.354	-0.549	20	5		DBBDRO
O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1	ZINC001055487868	818245850	/nfs/dbraw/zinc/24/58/50/818245850.db2.gz	IVMGWAZBKCOYKC-CHWSQXEVSA-N	1	0	324.381	-0.242	20	5		DBBDRO
O=C(C[NH+]1CCCC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001062988914	819570243	/nfs/dbraw/zinc/57/02/43/819570243.db2.gz	GRYLLVYIUPMOCO-VXGBXAGGSA-N	1	0	324.381	-0.098	20	5		DBBDRO
O=C(C[NH+]1CCCC1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001063108211	819581994	/nfs/dbraw/zinc/58/19/94/819581994.db2.gz	UUEGUGUZZKIIMR-VXGBXAGGSA-N	1	0	324.381	-0.098	20	5		DBBDRO
CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC[NH+](C)C	ZINC001067388808	820088784	/nfs/dbraw/zinc/08/87/84/820088784.db2.gz	LWJYXWLUYIRBHX-VXGBXAGGSA-N	1	0	314.386	-0.090	20	5		DBBDRO
Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001086083115	825174781	/nfs/dbraw/zinc/17/47/81/825174781.db2.gz	OCRMVXZQRUVSEZ-RBLKWDMZSA-N	1	0	308.342	-0.535	20	5		DBBDRO
CCn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001086363263	825243106	/nfs/dbraw/zinc/24/31/06/825243106.db2.gz	KIQLQCMIHQIOSJ-FPQZTECRSA-N	1	0	322.369	-0.052	20	5		DBBDRO
O=C1OCCC1=Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001162703017	833117423	/nfs/dbraw/zinc/11/74/23/833117423.db2.gz	ZIVAYEOWDGOGDA-UHFFFAOYSA-N	1	0	306.282	-0.353	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])cc1NCc1nnc2n1CCC[NH2+]C2	ZINC001163017621	833126947	/nfs/dbraw/zinc/12/69/47/833126947.db2.gz	NGZAIKMWBZJZMD-UHFFFAOYSA-N	1	0	305.298	-0.075	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1	ZINC001163238898	833140651	/nfs/dbraw/zinc/14/06/51/833140651.db2.gz	PLPUKXMFDVDCNH-ZANVPECISA-N	1	0	321.293	-0.234	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001163237997	833140679	/nfs/dbraw/zinc/14/06/79/833140679.db2.gz	KQFUXHSTXOYUFZ-PELKAZGASA-N	1	0	306.282	-0.921	20	5		DBBDRO
NC(=O)c1ccnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001163239471	833141461	/nfs/dbraw/zinc/14/14/61/833141461.db2.gz	GCRVFPYBKYPDMS-MADCSZMMSA-N	1	0	306.282	-0.921	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001163255464	833143534	/nfs/dbraw/zinc/14/35/34/833143534.db2.gz	WNKLIVTZSLNAAK-RNCFNFMXSA-N	1	0	321.293	-0.234	20	5		DBBDRO
CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CC[NH+](C)C	ZINC001101927319	827166982	/nfs/dbraw/zinc/16/69/82/827166982.db2.gz	ZJEVATFLTBEXEG-UHFFFAOYSA-N	1	0	311.346	-0.211	20	5		DBBDRO
CN(c1cc([N+](=O)[O-])c2nncn2c1)S(=O)(=O)CC[NH3+]	ZINC001164297071	833203611	/nfs/dbraw/zinc/20/36/11/833203611.db2.gz	JJNLGBFHIZYKNV-UHFFFAOYSA-N	1	0	300.300	-0.638	20	5		DBBDRO
O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCC1	ZINC001164490689	833214216	/nfs/dbraw/zinc/21/42/16/833214216.db2.gz	RMGZZDWLTNFLKV-VXGBXAGGSA-N	1	0	324.381	-0.240	20	5		DBBDRO
COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1	ZINC001165284106	833236008	/nfs/dbraw/zinc/23/60/08/833236008.db2.gz	UFNPCBFBVBWTNH-RNCFNFMXSA-N	1	0	309.326	-0.280	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1	ZINC001165282400	833236141	/nfs/dbraw/zinc/23/61/41/833236141.db2.gz	ZQZCRYVAQCKOLP-OTYXRUKQSA-N	1	0	322.321	-0.206	20	5		DBBDRO
COc1cc(C)nc(N2CCNC(=O)C23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001165298797	833238677	/nfs/dbraw/zinc/23/86/77/833238677.db2.gz	WTRAERAQLAYJNO-UHFFFAOYSA-N	1	0	307.310	-0.415	20	5		DBBDRO
O=C1NCCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C12C[NH2+]C2	ZINC001165302066	833239664	/nfs/dbraw/zinc/23/96/64/833239664.db2.gz	GVCOVWHCOCDXBK-UHFFFAOYSA-N	1	0	302.294	-0.251	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH2+]C[C@@H]1C(=O)OC	ZINC001165435758	833245083	/nfs/dbraw/zinc/24/50/83/833245083.db2.gz	DSINZFBWKCGUTA-SNVBAGLBSA-N	1	0	324.293	-0.272	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCN1c1nc(Cl)ncc1[N+](=O)[O-]	ZINC001165435896	833245378	/nfs/dbraw/zinc/24/53/78/833245378.db2.gz	GBMNZMFKGZLQHY-SSDOTTSWSA-N	1	0	301.690	-0.011	20	5		DBBDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cc([N+](=O)[O-])cc[n+]1[O-]	ZINC001165406013	833245611	/nfs/dbraw/zinc/24/56/11/833245611.db2.gz	XVFZXBPIRDNSEJ-ZMLRMANQSA-N	1	0	322.321	-0.042	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCN1c1nc(OC)nc(C)c1[N+](=O)[O-]	ZINC001165438545	833246213	/nfs/dbraw/zinc/24/62/13/833246213.db2.gz	GIJBTWBNXOYCAP-QMMMGPOBSA-N	1	0	311.298	-0.347	20	5		DBBDRO
CN(C)C(=O)C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1	ZINC001166739420	833280036	/nfs/dbraw/zinc/28/00/36/833280036.db2.gz	KIZUXRSIKNFBPG-UHFFFAOYSA-N	1	0	306.326	-0.404	20	5		DBBDRO
CC1(C)C(=O)NCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001166608696	833276123	/nfs/dbraw/zinc/27/61/23/833276123.db2.gz	XPFGAKKOISWZFE-UHFFFAOYSA-N	1	0	306.326	-0.214	20	5		DBBDRO
COC(=O)c1nc(Cl)nc(N2C[C@@H](O)[C@@H]([NH3+])C2)c1[N+](=O)[O-]	ZINC001167090351	833290951	/nfs/dbraw/zinc/29/09/51/833290951.db2.gz	OVGNMUNGGZHZPG-CRCLSJGQSA-N	1	0	317.689	-0.667	20	5		DBBDRO
COC(=O)COc1c(C)cc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-]	ZINC001168922894	833331479	/nfs/dbraw/zinc/33/14/79/833331479.db2.gz	BXCPZXFCIDIIRQ-UHFFFAOYSA-N	1	0	322.281	-0.111	20	5		DBBDRO
O=C1C=CC(=O)N1CCOCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168997461	833332501	/nfs/dbraw/zinc/33/25/01/833332501.db2.gz	ZPKCPQHHLMLKNU-NEPJUHHUSA-N	1	0	311.338	-0.037	20	5		DBBDRO
[NH3+][C@@H](CO)Cc1cncn1-c1cc([N+](=O)[O-])c2nncn2c1	ZINC001169074798	833333875	/nfs/dbraw/zinc/33/38/75/833333875.db2.gz	ONUGNBOKLZWLDG-MRVPVSSYSA-N	1	0	303.282	-0.315	20	5		DBBDRO
Cn1cc(NCCOCCOCC[NH3+])cc([N+](=O)[O-])c1=O	ZINC001170507393	833354448	/nfs/dbraw/zinc/35/44/48/833354448.db2.gz	JEQNYIUDNMPWJF-UHFFFAOYSA-N	1	0	300.315	-0.303	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1nc[nH]n1	ZINC001170717501	833358078	/nfs/dbraw/zinc/35/80/78/833358078.db2.gz	SHXKOBZINPZVHD-UHFFFAOYSA-N	1	0	322.329	-0.715	20	5		DBBDRO
Cc1c(C[NH3+])c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nn1C	ZINC001118572096	829106762	/nfs/dbraw/zinc/10/67/62/829106762.db2.gz	NXODDILTNRWDCV-UHFFFAOYSA-N	1	0	320.309	-0.104	20	5		DBBDRO
CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001170992511	833363485	/nfs/dbraw/zinc/36/34/85/833363485.db2.gz	MWCGZARYBOVPET-UHFFFAOYSA-N	1	0	311.298	-0.583	20	5		DBBDRO
C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1[NH3+]	ZINC001118866167	829142559	/nfs/dbraw/zinc/14/25/59/829142559.db2.gz	WTQOHTKHJSGBSN-HTQZYQBOSA-N	1	0	303.344	-0.314	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1	ZINC001118920367	829153394	/nfs/dbraw/zinc/15/33/94/829153394.db2.gz	XHVHDYAKHZHFAS-SNVBAGLBSA-N	1	0	322.321	-0.302	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC001119455280	829263392	/nfs/dbraw/zinc/26/33/92/829263392.db2.gz	USPLRIPFYVZCOV-JQWIXIFHSA-N	1	0	324.385	-0.150	20	5		DBBDRO
CC(=O)NCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001122668024	829608511	/nfs/dbraw/zinc/60/85/11/829608511.db2.gz	SXMXZWKZDLSEGQ-UHFFFAOYSA-N	1	0	300.340	-0.002	20	5		DBBDRO
O=C(CN1CN=NC1=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001126022081	829897451	/nfs/dbraw/zinc/89/74/51/829897451.db2.gz	XERSLGZDRGVWOU-UHFFFAOYSA-N	1	0	320.309	-0.202	20	5		DBBDRO
CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936290	829970428	/nfs/dbraw/zinc/97/04/28/829970428.db2.gz	FLCLWVXASOUIES-NXEZZACHSA-N	1	0	300.359	-0.338	20	5		DBBDRO
NC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC001126936458	829971510	/nfs/dbraw/zinc/97/15/10/829971510.db2.gz	JBUAPURZFYPQHS-VXGBXAGGSA-N	1	0	306.322	-0.344	20	5		DBBDRO
CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126943684	829971962	/nfs/dbraw/zinc/97/19/62/829971962.db2.gz	SUNABAAODOLNKL-GHMZBOCLSA-N	1	0	300.359	-0.338	20	5		DBBDRO
CNC(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001128790526	830131057	/nfs/dbraw/zinc/13/10/57/830131057.db2.gz	WLBWDCVVTMYANZ-UHFFFAOYSA-N	1	0	309.326	-0.270	20	5		DBBDRO
C[NH+](C)CC1(O)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001149750866	831566892	/nfs/dbraw/zinc/56/68/92/831566892.db2.gz	GXXWFXWOIWPALA-UHFFFAOYSA-N	1	0	312.330	-0.899	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)NCCNCc1c([N+](=O)[O-])ncn1C	ZINC001152439590	831750241	/nfs/dbraw/zinc/75/02/41/831750241.db2.gz	OKNDFBQKOXRHSO-UHFFFAOYSA-N	1	0	312.374	-0.126	20	5		DBBDRO
NC(=O)NCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001154457830	831880263	/nfs/dbraw/zinc/88/02/63/831880263.db2.gz	PBETZPAMPXIRDC-UHFFFAOYSA-N	1	0	309.326	-0.141	20	5		DBBDRO
Nc1nc(=O)c(F)cn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001155423021	831932486	/nfs/dbraw/zinc/93/24/86/831932486.db2.gz	RFJNJUUQSWAHJX-UHFFFAOYSA-N	1	0	307.245	-0.419	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001155569042	831939489	/nfs/dbraw/zinc/93/94/89/831939489.db2.gz	DLZZOSBCZDKBCB-TVQRCGJNSA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1	ZINC001155582144	831941365	/nfs/dbraw/zinc/94/13/65/831941365.db2.gz	ZCEPYBPIZLLESZ-ZANVPECISA-N	1	0	321.293	-0.234	20	5		DBBDRO
COc1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc(OC)c1[N+](=O)[O-]	ZINC001155637582	831944647	/nfs/dbraw/zinc/94/46/47/831944647.db2.gz	WGQCIRKGZIDAFV-FJXKBIBVSA-N	1	0	311.298	-0.057	20	5		DBBDRO
COC(=O)c1cnc(N(C)S(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1	ZINC001156237178	831975646	/nfs/dbraw/zinc/97/56/46/831975646.db2.gz	ZKSVQINBIIXMRV-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
COC(=O)CCN(C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001156809458	832002310	/nfs/dbraw/zinc/00/23/10/832002310.db2.gz	REBMOIGVHWROJI-UHFFFAOYSA-N	1	0	324.341	-0.206	20	5		DBBDRO
CC(C)n1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157760667	832061923	/nfs/dbraw/zinc/06/19/23/832061923.db2.gz	GUCCTTHTJQFOGO-NXEZZACHSA-N	1	0	311.346	-0.485	20	5		DBBDRO
CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157761728	832062139	/nfs/dbraw/zinc/06/21/39/832062139.db2.gz	ZMUDVOGJQCEYDO-NXEZZACHSA-N	1	0	300.359	-0.338	20	5		DBBDRO
O=C(Cn1ncnn1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001158163552	832094708	/nfs/dbraw/zinc/09/47/08/832094708.db2.gz	UXXKONUGGRBEIY-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
COc1nc(NCCN(CC[NH3+])N(O)N=O)ccc1[N+](=O)[O-]	ZINC001161087111	832973368	/nfs/dbraw/zinc/97/33/68/832973368.db2.gz	IEOOCMDLCFDSMX-UHFFFAOYSA-N	1	0	315.290	-0.041	20	5		DBBDRO
COC[C@@]1(CO)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC001194410688	834596493	/nfs/dbraw/zinc/59/64/93/834596493.db2.gz	VSEBTRBCPVKTTB-OLZOCXBDSA-N	1	0	314.342	-0.517	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)c1	ZINC001261436956	834784468	/nfs/dbraw/zinc/78/44/68/834784468.db2.gz	PSFHDXLJKZNTFK-ZYHUDNBSSA-N	1	0	306.326	-0.047	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cncn3C2)c1	ZINC001262558979	834960650	/nfs/dbraw/zinc/96/06/50/834960650.db2.gz	VLSRSFMDKRWUCT-ZWNOBZJWSA-N	1	0	306.326	-0.047	20	5		DBBDRO
Cn1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O	ZINC001265846268	835183724	/nfs/dbraw/zinc/18/37/24/835183724.db2.gz	ZRBWRYGCDGNWLD-CHWSQXEVSA-N	1	0	322.365	-0.011	20	5		DBBDRO
Cn1nncc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC001203583556	835300770	/nfs/dbraw/zinc/30/07/70/835300770.db2.gz	QZWDNDDHYOBGRW-CHWSQXEVSA-N	1	0	307.310	-0.093	20	5		DBBDRO
O=C(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1	ZINC001205002109	835331814	/nfs/dbraw/zinc/33/18/14/835331814.db2.gz	ZBZYHQVTGCFHGU-UHFFFAOYSA-N	1	0	309.326	-0.057	20	5		DBBDRO
O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001266900832	835404198	/nfs/dbraw/zinc/40/41/98/835404198.db2.gz	JXFPLPORBBJSIZ-LBELIVKGSA-N	1	0	322.365	-0.776	20	5		DBBDRO
CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001267371352	835495502	/nfs/dbraw/zinc/49/55/02/835495502.db2.gz	KNXKWFUIXUNSLW-VXGBXAGGSA-N	1	0	308.338	-0.402	20	5		DBBDRO
C[N@@H+]1CCC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224797285	979583914	/nfs/dbraw/zinc/58/39/14/979583914.db2.gz	NIOGMIJYAOBKAN-SECBINFHSA-N	1	0	302.287	-0.811	20	5		DBBDRO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(S(N)(=O)=O)cc1	ZINC001227197959	979664453	/nfs/dbraw/zinc/66/44/53/979664453.db2.gz	GYOQDDIPIIIGRW-SNVBAGLBSA-N	1	0	317.387	-0.303	20	5		DBBDRO
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC001330970728	979848127	/nfs/dbraw/zinc/84/81/27/979848127.db2.gz	NOWIFGBKBBLOIY-SNVBAGLBSA-N	1	0	309.326	-0.011	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)C2CCOCC2)c1	ZINC001343203579	979926747	/nfs/dbraw/zinc/92/67/47/979926747.db2.gz	UHZMLECIPFZPGK-CYBMUJFWSA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N1CC[NH2+]CC1	ZINC001345781467	980087393	/nfs/dbraw/zinc/08/73/93/980087393.db2.gz	RFCRIBBLZNUOLG-UHFFFAOYSA-N	1	0	317.305	-0.264	20	5		DBBDRO
Cc1nc(N2CCN(CC[NH+](C)C)C(=O)C2)ncc1[N+](=O)[O-]	ZINC001349546192	980483505	/nfs/dbraw/zinc/48/35/05/980483505.db2.gz	VWNIQWVJAQGMNM-UHFFFAOYSA-N	1	0	308.342	-0.097	20	5		DBBDRO
O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C1	ZINC001350331627	980560868	/nfs/dbraw/zinc/56/08/68/980560868.db2.gz	LSLPHKLXLSDMRT-NSHDSACASA-N	1	0	306.322	-0.268	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CO)C[NH+]1CCCCC1	ZINC001556565445	1015925900	/nfs/dbraw/zinc/92/59/00/1015925900.db2.gz	ODOCBKMQFGYLGQ-JTQLQIEISA-N	1	0	312.330	-0.851	20	5		DBBDRO
C[NH+](C)CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001494433922	1016266881	/nfs/dbraw/zinc/26/68/81/1016266881.db2.gz	FBDBAZVVRMNJOZ-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
CN(CC[N@H+](C)CCO)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC001591108049	1016391071	/nfs/dbraw/zinc/39/10/71/1016391071.db2.gz	TYHREJJLSKSSHY-UHFFFAOYSA-N	1	0	322.329	-0.470	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001467810865	1009521648	/nfs/dbraw/zinc/52/16/48/1009521648.db2.gz	GELNXIYFNVUEFF-VXGBXAGGSA-N	1	0	323.353	-0.233	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N(CCO)C1CC[NH+](C)CC1	ZINC001469565834	1009669659	/nfs/dbraw/zinc/66/96/59/1009669659.db2.gz	VYHRVBFIJLJXTH-UHFFFAOYSA-N	1	0	311.342	-0.143	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001471374775	1009819517	/nfs/dbraw/zinc/81/95/17/1009819517.db2.gz	VNQCWYDHNVVHKH-CQSZACIVSA-N	1	0	324.337	-0.719	20	5		DBBDRO
CNC(=O)C1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOCC1	ZINC001473801019	1009950453	/nfs/dbraw/zinc/95/04/53/1009950453.db2.gz	FRYGSDDFENEODG-UHFFFAOYSA-N	1	0	311.342	-0.015	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ncn(C)n1	ZINC001481226635	1010865003	/nfs/dbraw/zinc/86/50/03/1010865003.db2.gz	GNJZGCDHDGKHIE-UHFFFAOYSA-N	1	0	322.329	-0.681	20	5		DBBDRO
CNC(=O)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C	ZINC001481350890	1010893516	/nfs/dbraw/zinc/89/35/16/1010893516.db2.gz	RSXSDSZNZGJRHK-GHMZBOCLSA-N	1	0	300.359	-0.386	20	5		DBBDRO
Cc1nc(C)n(CC[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001482595408	1011206358	/nfs/dbraw/zinc/20/63/58/1011206358.db2.gz	OWCDQSACYITCLU-CHWSQXEVSA-N	1	0	324.385	-0.050	20	5		DBBDRO
O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC1	ZINC001497585057	1017431703	/nfs/dbraw/zinc/43/17/03/1017431703.db2.gz	RVTMUEVKEYSRJV-NUYITTKVSA-N	1	0	310.354	-0.464	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC001603335980	1018166360	/nfs/dbraw/zinc/16/63/60/1018166360.db2.gz	JPTGKOVIHYRAND-GHMZBOCLSA-N	1	0	324.341	-0.756	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1	ZINC001604855810	1018464829	/nfs/dbraw/zinc/46/48/29/1018464829.db2.gz	NYOVNWIZRNNDMZ-GFCCVEGCSA-N	1	0	320.313	-0.352	20	5		DBBDRO
CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001506074845	1019711062	/nfs/dbraw/zinc/71/10/62/1019711062.db2.gz	XTDHVBSZXMIZKU-GHMZBOCLSA-N	1	0	312.370	-0.242	20	5		DBBDRO
O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001617047353	1019784647	/nfs/dbraw/zinc/78/46/47/1019784647.db2.gz	LVOKNZNUGQHETB-YNEHKIRRSA-N	1	0	312.370	-0.826	20	5		DBBDRO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1O	ZINC001579642508	1020525462	/nfs/dbraw/zinc/52/54/62/1020525462.db2.gz	IVUWDXOJQFOUDZ-QWRGUYRKSA-N	1	0	315.351	-0.096	20	5		DBBDRO
O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1	ZINC001580569714	1020751656	/nfs/dbraw/zinc/75/16/56/1020751656.db2.gz	BKEBDPYSSDUDBD-UHFFFAOYSA-N	1	0	324.312	-0.176	20	5		DBBDRO
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[NH2+]C1	ZINC001580577649	1020754710	/nfs/dbraw/zinc/75/47/10/1020754710.db2.gz	HPKICBSMAGZCAJ-MRVPVSSYSA-N	1	0	306.278	-0.019	20	5		DBBDRO
O=[N+]([O-])c1cc(S(=O)(=O)NC2(CCO)C[NH2+]C2)cs1	ZINC001580875028	1020812089	/nfs/dbraw/zinc/81/20/89/1020812089.db2.gz	UURXJZFQNMULGU-UHFFFAOYSA-N	1	0	307.353	-0.341	20	5		DBBDRO
CC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001581001545	1020819670	/nfs/dbraw/zinc/81/96/70/1020819670.db2.gz	FWOLFUKKMQUNTL-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1	ZINC001587976023	1021085303	/nfs/dbraw/zinc/08/53/03/1021085303.db2.gz	VTWFSXULPVDKBG-CYBMUJFWSA-N	1	0	310.310	-0.166	20	5		DBBDRO
C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)CN1CCO	ZINC001559215441	1023981408	/nfs/dbraw/zinc/98/14/08/1023981408.db2.gz	AXWWMGNREUJNAM-UWVGGRQHSA-N	1	0	323.353	-0.020	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(CO)CCSCC2)c1	ZINC001559900444	1024000338	/nfs/dbraw/zinc/00/03/38/1024000338.db2.gz	LXDPYEOAXOYJBI-LLVKDONJSA-N	1	0	316.383	0.000	20	5		DBBDRO
CCn1nncc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001569201682	1025168331	/nfs/dbraw/zinc/16/83/31/1025168331.db2.gz	HHIUZIYERAMKDQ-VXGBXAGGSA-N	1	0	310.358	-0.099	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO	ZINC001569470202	1025252033	/nfs/dbraw/zinc/25/20/33/1025252033.db2.gz	OHVCVKOPKKXKOP-SNVBAGLBSA-N	1	0	311.342	-0.095	20	5		DBBDRO
COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1C[NH2+]C1	ZINC001574014633	1026690560	/nfs/dbraw/zinc/69/05/60/1026690560.db2.gz	LRNLDEYGSQUOBV-UHFFFAOYSA-N	1	0	309.278	-0.117	20	5		DBBDRO
CN(C)C(=O)CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])c(N)n1	ZINC000596463125	412516802	/nfs/dbraw/zinc/51/68/02/412516802.db2.gz	QTQZJAFCLOEETM-UHFFFAOYSA-N	1	0	311.346	-0.577	20	5		DBBDRO
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000276709584	138096561	/nfs/dbraw/zinc/09/65/61/138096561.db2.gz	YDUHIDNXWJMWDD-ZIAGYGMSSA-N	1	0	320.349	-0.034	20	5		DBBDRO
C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC000358020260	138148179	/nfs/dbraw/zinc/14/81/79/138148179.db2.gz	DNLVSCGJDJWAAA-LBPRGKRZSA-N	1	0	324.385	-0.067	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000358207270	138149045	/nfs/dbraw/zinc/14/90/45/138149045.db2.gz	ZEYPWQDMSAKDPI-GFCCVEGCSA-N	1	0	315.351	-0.060	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1	ZINC000358439186	138150046	/nfs/dbraw/zinc/15/00/46/138150046.db2.gz	GONYNGUWRINWNA-QMMMGPOBSA-N	1	0	319.343	-0.841	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000372934240	138170111	/nfs/dbraw/zinc/17/01/11/138170111.db2.gz	ROZFRQJLMNRBMY-NWDGAFQWSA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000372934241	138170305	/nfs/dbraw/zinc/17/03/05/138170305.db2.gz	ROZFRQJLMNRBMY-RYUDHWBXSA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000552026424	283911824	/nfs/dbraw/zinc/91/18/24/283911824.db2.gz	NLXGXZOHYKFVKF-AWEZNQCLSA-N	1	0	322.321	-0.118	20	5		DBBDRO
C[NH2+]CCN(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000557248881	283961783	/nfs/dbraw/zinc/96/17/83/283961783.db2.gz	BSJAHCZSUXZVSB-UHFFFAOYSA-N	1	0	324.337	-0.232	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1	ZINC000558732271	283978245	/nfs/dbraw/zinc/97/82/45/283978245.db2.gz	DCWNFAVEUTVNDU-UHFFFAOYSA-N	1	0	310.314	-0.836	20	5		DBBDRO
O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CC1	ZINC000561230629	283999232	/nfs/dbraw/zinc/99/92/32/283999232.db2.gz	XOEPALMWUICGHF-UHFFFAOYSA-N	1	0	322.321	-0.478	20	5		DBBDRO
C[C@@H](CN1CCCC1=O)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000562492482	284011736	/nfs/dbraw/zinc/01/17/36/284011736.db2.gz	PRZBRMVSACHCCE-CMPLNLGQSA-N	1	0	311.342	-0.247	20	5		DBBDRO
COCCn1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC000564076037	284054615	/nfs/dbraw/zinc/05/46/15/284054615.db2.gz	CYQPMNFZKQLNGL-ZDUSSCGKSA-N	1	0	324.341	-0.215	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)n1	ZINC000564933245	284072853	/nfs/dbraw/zinc/07/28/53/284072853.db2.gz	DLRJTAKFSNHWGO-NSHDSACASA-N	1	0	322.369	-0.069	20	5		DBBDRO
CCn1c(C)nc([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000565232717	284089075	/nfs/dbraw/zinc/08/90/75/284089075.db2.gz	LJWHYVPPUHLTDZ-NXEZZACHSA-N	1	0	308.342	-0.132	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000187263210	374295037	/nfs/dbraw/zinc/29/50/37/374295037.db2.gz	NFZIDCAVCSHPEA-VIFPVBQESA-N	1	0	311.342	-0.225	20	5		DBBDRO
COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000609268826	374358407	/nfs/dbraw/zinc/35/84/07/374358407.db2.gz	DMAHIGHFJHLRKU-SNVBAGLBSA-N	1	0	312.330	-0.587	20	5		DBBDRO
O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000188222307	374358541	/nfs/dbraw/zinc/35/85/41/374358541.db2.gz	AJNUGMZCYOQZGG-ZYHUDNBSSA-N	1	0	321.337	-0.009	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000359087679	374358997	/nfs/dbraw/zinc/35/89/97/374358997.db2.gz	OJZLGVHPFZGTAD-GFCCVEGCSA-N	1	0	324.385	-0.067	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@]1(CO)CCOC1	ZINC000359791013	374374082	/nfs/dbraw/zinc/37/40/82/374374082.db2.gz	GHQIHXIOCZMUPG-NEPJUHHUSA-N	1	0	300.315	-0.765	20	5		DBBDRO
CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579474581	374558041	/nfs/dbraw/zinc/55/80/41/374558041.db2.gz	FCQFSHBTEIGEKE-WOPDTQHZSA-N	1	0	302.331	-0.736	20	5		DBBDRO
Cn1c(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-]	ZINC000261629493	374585776	/nfs/dbraw/zinc/58/57/76/374585776.db2.gz	BVMGSGDZTNPBEG-SNVBAGLBSA-N	1	0	323.353	-0.140	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000360765655	374680993	/nfs/dbraw/zinc/68/09/93/374680993.db2.gz	QAZIIUODYPYYBB-JTQLQIEISA-N	1	0	311.342	-0.095	20	5		DBBDRO
C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000361585611	374777235	/nfs/dbraw/zinc/77/72/35/374777235.db2.gz	QFTBJJXGKDYKMH-UHTWSYAYSA-N	1	0	314.342	-0.376	20	5		DBBDRO
NS(=O)(=O)c1cccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-]	ZINC000612654749	375039712	/nfs/dbraw/zinc/03/97/12/375039712.db2.gz	JVIWYMNXGJPDKO-DTORHVGOSA-N	1	0	312.351	-0.102	20	5		DBBDRO
O=C1C[C@]2(CN1)CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000362410271	375008829	/nfs/dbraw/zinc/00/88/29/375008829.db2.gz	MLEKJURHQHVPOX-OCCSQVGLSA-N	1	0	323.353	-0.246	20	5		DBBDRO
O=C1CNCCN1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC000362831716	375030806	/nfs/dbraw/zinc/03/08/06/375030806.db2.gz	SLGPRBAADYVRIE-GFCCVEGCSA-N	1	0	322.369	-0.313	20	5		DBBDRO
CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000612931911	375043747	/nfs/dbraw/zinc/04/37/47/375043747.db2.gz	ICVGYIZMKVLJKW-UHFFFAOYSA-N	1	0	323.353	-0.221	20	5		DBBDRO
CN(C)CC[N@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000289958353	375174958	/nfs/dbraw/zinc/17/49/58/375174958.db2.gz	BRTWKGZVZDWFOU-UHFFFAOYSA-N	1	0	312.374	-0.209	20	5		DBBDRO
CC1(C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1CCO	ZINC000589596908	375458896	/nfs/dbraw/zinc/45/88/96/375458896.db2.gz	MEENNEPEUHRJGX-UHFFFAOYSA-N	1	0	323.353	-0.018	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](N2CCNCC2=O)C1	ZINC000566206939	375537286	/nfs/dbraw/zinc/53/72/86/375537286.db2.gz	HAAZVXVTRXBZPQ-VIFPVBQESA-N	1	0	322.325	-0.646	20	5		DBBDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000290573975	375524519	/nfs/dbraw/zinc/52/45/19/375524519.db2.gz	GXHAHRXZVHXNNR-UHFFFAOYSA-N	1	0	312.374	-0.058	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000330644280	375527668	/nfs/dbraw/zinc/52/76/68/375527668.db2.gz	HRDLJVWZDJGZOJ-NSHDSACASA-N	1	0	310.358	-0.457	20	5		DBBDRO
Cn1nnnc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000591757576	375744837	/nfs/dbraw/zinc/74/48/37/375744837.db2.gz	IEFMWNKSTVYZAK-NSHDSACASA-N	1	0	322.325	-0.310	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOC[C@H]2CCCO2)c1	ZINC000591740129	375744991	/nfs/dbraw/zinc/74/49/91/375744991.db2.gz	WCYDCZFCFQTDRC-CHWSQXEVSA-N	1	0	314.342	-0.063	20	5		DBBDRO
COC[C@@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592430792	375805189	/nfs/dbraw/zinc/80/51/89/375805189.db2.gz	IZEPEBNBZRBRSH-PWSUYJOCSA-N	1	0	300.311	-0.069	20	5		DBBDRO
COC[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592430795	375806060	/nfs/dbraw/zinc/80/60/60/375806060.db2.gz	IZEPEBNBZRBRSH-ZYHUDNBSSA-N	1	0	300.311	-0.069	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCN1CC[NH2+]CC1	ZINC000592469533	375806693	/nfs/dbraw/zinc/80/66/93/375806693.db2.gz	UCXXZAWFDGHMNR-UHFFFAOYSA-N	1	0	310.358	-0.537	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCN1CC[NH2+]CC1	ZINC000592468742	375807411	/nfs/dbraw/zinc/80/74/11/375807411.db2.gz	FJQWNAVADQOUPI-UHFFFAOYSA-N	1	0	324.385	-0.147	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000592548578	375811194	/nfs/dbraw/zinc/81/11/94/375811194.db2.gz	KONABDOEIKJCTC-LLVKDONJSA-N	1	0	310.310	-0.090	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000592552583	375812585	/nfs/dbraw/zinc/81/25/85/375812585.db2.gz	ZMWISOQQGSGEBG-SNVBAGLBSA-N	1	0	310.310	-0.090	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000592556956	375813354	/nfs/dbraw/zinc/81/33/54/375813354.db2.gz	WBZLFBGMVQGPOB-SECBINFHSA-N	1	0	311.298	-0.695	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000592248915	375788180	/nfs/dbraw/zinc/78/81/80/375788180.db2.gz	FCSOALYDNAQDBE-SNVBAGLBSA-N	1	0	321.337	-0.185	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000592881629	375826405	/nfs/dbraw/zinc/82/64/05/375826405.db2.gz	UTTFKTZMYRUNKN-SNVBAGLBSA-N	1	0	324.341	-0.630	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000592875064	375826531	/nfs/dbraw/zinc/82/65/31/375826531.db2.gz	VSERZYUTYWWTES-MRVPVSSYSA-N	1	0	310.314	-0.490	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593566759	375870706	/nfs/dbraw/zinc/87/07/06/375870706.db2.gz	OJSGRCVQAKPUFQ-LLVKDONJSA-N	1	0	318.355	-0.419	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O	ZINC000593784667	375890764	/nfs/dbraw/zinc/89/07/64/375890764.db2.gz	UIDRZSMOBHGLHM-UHFFFAOYSA-N	1	0	310.314	-0.836	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)nc1	ZINC000595109794	375973150	/nfs/dbraw/zinc/97/31/50/375973150.db2.gz	QHEABSCIQXQFMJ-JTQLQIEISA-N	1	0	316.339	-0.353	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])n1	ZINC000595122297	375974327	/nfs/dbraw/zinc/97/43/27/375974327.db2.gz	JHDXHVXJQZUABO-HTQZYQBOSA-N	1	0	321.334	-0.129	20	5		DBBDRO
O=[N+]([O-])c1cnc2ccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)nn21	ZINC000594603003	375937234	/nfs/dbraw/zinc/93/72/34/375937234.db2.gz	GUVNGMTVVNLRHF-VHSXEESVSA-N	1	0	304.310	-0.107	20	5		DBBDRO
CC(C)(C(=O)N1CCOC2(C[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1	ZINC000596581506	376089666	/nfs/dbraw/zinc/08/96/66/376089666.db2.gz	ZBNDPCIUKJRWPE-UHFFFAOYSA-N	1	0	309.326	-0.273	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1	ZINC000595989056	376063394	/nfs/dbraw/zinc/06/33/94/376063394.db2.gz	HUMJIJYTQAUVGN-UHFFFAOYSA-N	1	0	306.282	-0.182	20	5		DBBDRO
CCn1cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000596049898	376067904	/nfs/dbraw/zinc/06/79/04/376067904.db2.gz	JRNXUPGKPXQJHF-JTQLQIEISA-N	1	0	303.344	-0.159	20	5		DBBDRO
C[NH+](C)C1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1	ZINC000598609272	376216695	/nfs/dbraw/zinc/21/66/95/376216695.db2.gz	WNMPNFKVRKHSDQ-UHFFFAOYSA-N	1	0	308.342	-0.028	20	5		DBBDRO
O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000598915997	376228306	/nfs/dbraw/zinc/22/83/06/376228306.db2.gz	SLHWUXKMUNZJPP-LLVKDONJSA-N	1	0	308.294	-0.362	20	5		DBBDRO
CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1	ZINC000598913875	376228501	/nfs/dbraw/zinc/22/85/01/376228501.db2.gz	QQOZUEVLFRTRMS-LBPRGKRZSA-N	1	0	321.337	-0.365	20	5		DBBDRO
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1(CCO)C[NH2+]C1	ZINC000598914008	376228789	/nfs/dbraw/zinc/22/87/89/376228789.db2.gz	UVWLWKFGWHRAPD-UHFFFAOYSA-N	1	0	308.294	-0.626	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C[NH3+])CCCC2)n1	ZINC000599096941	376242607	/nfs/dbraw/zinc/24/26/07/376242607.db2.gz	CCXIVUULHWSKSS-UHFFFAOYSA-N	1	0	303.344	-0.122	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C[NH3+])CC2)n1	ZINC000599095836	376242785	/nfs/dbraw/zinc/24/27/85/376242785.db2.gz	ILLPDXWZZYHJHQ-UHFFFAOYSA-N	1	0	303.344	-0.312	20	5		DBBDRO
C[NH2+]CCOCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599104429	376244496	/nfs/dbraw/zinc/24/44/96/376244496.db2.gz	ATNIPFALCRNYTI-UHFFFAOYSA-N	1	0	321.359	-0.815	20	5		DBBDRO
C[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[NH2+]1	ZINC000599105752	376244516	/nfs/dbraw/zinc/24/45/16/376244516.db2.gz	QBGOFADZQPBFQB-HTQZYQBOSA-N	1	0	303.344	-0.253	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)n1	ZINC000599105401	376244653	/nfs/dbraw/zinc/24/46/53/376244653.db2.gz	HFZZBNDFSKLTSQ-JTQLQIEISA-N	1	0	303.344	-0.312	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)n1	ZINC000599102839	376245166	/nfs/dbraw/zinc/24/51/66/376245166.db2.gz	SHHGVSBLWREYQV-SECBINFHSA-N	1	0	315.355	-0.157	20	5		DBBDRO
COC[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000567877329	376322131	/nfs/dbraw/zinc/32/21/31/376322131.db2.gz	MSHMCCSRQVUPDR-MNOVXSKESA-N	1	0	300.311	-0.069	20	5		DBBDRO
C[NH2+]CCOCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000599895871	376341821	/nfs/dbraw/zinc/34/18/21/376341821.db2.gz	FNKFZQFNVYWRRR-UHFFFAOYSA-N	1	0	310.310	-0.115	20	5		DBBDRO
O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000599899067	376342856	/nfs/dbraw/zinc/34/28/56/376342856.db2.gz	KVQYXZGITZFEEK-JTQLQIEISA-N	1	0	308.294	-0.362	20	5		DBBDRO
Cc1ccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000599899831	376343864	/nfs/dbraw/zinc/34/38/64/376343864.db2.gz	ORKUARSKNCAFJH-LLVKDONJSA-N	1	0	322.321	-0.054	20	5		DBBDRO
C[NH2+]CCOCCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000599921274	376345311	/nfs/dbraw/zinc/34/53/11/376345311.db2.gz	QMGMRPVWWSAVMH-UHFFFAOYSA-N	1	0	300.319	-0.674	20	5		DBBDRO
[NH3+]CC1(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCOCC1	ZINC000599920690	376345550	/nfs/dbraw/zinc/34/55/50/376345550.db2.gz	LVRLSFAZPSLOND-UHFFFAOYSA-N	1	0	312.330	-0.402	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CO)COC2)c1	ZINC000569723810	376690228	/nfs/dbraw/zinc/69/02/28/376690228.db2.gz	NUBBZYXXVILNNL-LBPRGKRZSA-N	1	0	312.322	-0.067	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO	ZINC000274469467	376792176	/nfs/dbraw/zinc/79/21/76/376792176.db2.gz	JNCHACORGSTPLD-SRVKXCTJSA-N	1	0	312.322	-0.238	20	5		DBBDRO
COCC[N@H+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000150915082	377123140	/nfs/dbraw/zinc/12/31/40/377123140.db2.gz	QNAKSNQJUSVCTN-UHFFFAOYSA-N	1	0	314.346	-0.331	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl	ZINC000573562470	377106641	/nfs/dbraw/zinc/10/66/41/377106641.db2.gz	JRUBKQKZZWNNCN-UHFFFAOYSA-N	1	0	300.702	-0.061	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@@H]([NH+](C)C)C2)n1	ZINC000292463770	377211651	/nfs/dbraw/zinc/21/16/51/377211651.db2.gz	YACOIAJBVZEXJR-QWRGUYRKSA-N	1	0	310.310	-0.113	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000574054656	377263156	/nfs/dbraw/zinc/26/31/56/377263156.db2.gz	MOSDGPXAJDEEJM-MWLCHTKSSA-N	1	0	304.306	-0.021	20	5		DBBDRO
COC(=O)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000366732582	377372487	/nfs/dbraw/zinc/37/24/87/377372487.db2.gz	XOYRFTVIQXDTQG-YUSALJHKSA-N	1	0	312.326	-0.107	20	5		DBBDRO
NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248391547	378298761	/nfs/dbraw/zinc/29/87/61/378298761.db2.gz	DCGSGJAHPWZXAM-UTUOFQBUSA-N	1	0	311.342	-0.214	20	5		DBBDRO
C[C@H](C[S@@](C)=O)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248502425	378386133	/nfs/dbraw/zinc/38/61/33/378386133.db2.gz	UFBMEBKNWVUPSP-GYKIULCDSA-N	1	0	304.372	-0.149	20	5		DBBDRO
CC[NH+]1CCN(CCC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000269155644	379034633	/nfs/dbraw/zinc/03/46/33/379034633.db2.gz	RLXVODMJVNJWBR-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000269594345	379753380	/nfs/dbraw/zinc/75/33/80/379753380.db2.gz	NKUSFXHPLSTULC-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2CCSCC2)c1	ZINC000230936786	379869629	/nfs/dbraw/zinc/86/96/29/379869629.db2.gz	ZYRLJSHBFRKVNV-GFCCVEGCSA-N	1	0	315.399	-0.209	20	5		DBBDRO
O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000169190237	380371626	/nfs/dbraw/zinc/37/16/26/380371626.db2.gz	FHIPJRSCIQJZPD-USWWRNFRSA-N	1	0	321.337	-0.275	20	5		DBBDRO
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000169190398	380373710	/nfs/dbraw/zinc/37/37/10/380373710.db2.gz	FHIPJRSCIQJZPD-ADEWGFFLSA-N	1	0	321.337	-0.275	20	5		DBBDRO
O=C1NCC[C@@]12CCC[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000577409209	380565828	/nfs/dbraw/zinc/56/58/28/380565828.db2.gz	SSNWLRCUKXUAKK-YPMHNXCESA-N	1	0	309.326	-0.493	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000548941795	381017594	/nfs/dbraw/zinc/01/75/94/381017594.db2.gz	IULPEKCTTVXZHB-SECBINFHSA-N	1	0	310.314	-0.613	20	5		DBBDRO
CC[NH+]1CCN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000063744576	382287721	/nfs/dbraw/zinc/28/77/21/382287721.db2.gz	QQOZRMHOKFYJJR-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
NC(=O)c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000405638894	382409197	/nfs/dbraw/zinc/40/91/97/382409197.db2.gz	CBBRRLGSDNMGRV-WDEREUQCSA-N	1	0	306.322	-0.051	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000619873601	382525546	/nfs/dbraw/zinc/52/55/46/382525546.db2.gz	PIOMWRWQVNVSIL-NSHDSACASA-N	1	0	308.342	-0.703	20	5		DBBDRO
Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-]	ZINC000619873746	382526856	/nfs/dbraw/zinc/52/68/56/382526856.db2.gz	UFOYNLOMWBVNFX-SNVBAGLBSA-N	1	0	308.342	-0.254	20	5		DBBDRO
C[NH2+]CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1	ZINC000420410313	382508640	/nfs/dbraw/zinc/50/86/40/382508640.db2.gz	AAMCKMKEZASNRX-UHFFFAOYSA-N	1	0	317.323	-0.121	20	5		DBBDRO
COc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000390384469	382592131	/nfs/dbraw/zinc/59/21/31/382592131.db2.gz	CWJBOMCHQYCWIC-UHFFFAOYSA-N	1	0	322.321	-0.235	20	5		DBBDRO
C[NH+]1CCN(Cc2cn(CCn3cc([N+](=O)[O-])cn3)nn2)CC1	ZINC000603226032	382640152	/nfs/dbraw/zinc/64/01/52/382640152.db2.gz	PJCNKJLWCDDNEI-UHFFFAOYSA-N	1	0	320.357	-0.170	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000357266415	382645293	/nfs/dbraw/zinc/64/52/93/382645293.db2.gz	HTCJBCSYQREXAJ-LLVKDONJSA-N	1	0	308.342	-0.703	20	5		DBBDRO
C[C@H](CCN1CCOCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000358045488	382645942	/nfs/dbraw/zinc/64/59/42/382645942.db2.gz	NWXIXFPZXJWSOM-SNVBAGLBSA-N	1	0	312.330	-0.587	20	5		DBBDRO
O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1	ZINC000600762987	382636604	/nfs/dbraw/zinc/63/66/04/382636604.db2.gz	YQFOMWXSZNJROG-CHWSQXEVSA-N	1	0	323.353	-0.105	20	5		DBBDRO
C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000132260754	382638392	/nfs/dbraw/zinc/63/83/92/382638392.db2.gz	WOIZPHBPZBMMGV-SECBINFHSA-N	1	0	303.340	-0.157	20	5		DBBDRO
C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000132259908	382638486	/nfs/dbraw/zinc/63/84/86/382638486.db2.gz	GVHXWNVBIJOZPS-SECBINFHSA-N	1	0	303.340	-0.157	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1CO	ZINC000274154829	130212320	/nfs/dbraw/zinc/21/23/20/130212320.db2.gz	JNCHACORGSTPLD-SDDRHHMPSA-N	1	0	312.322	-0.238	20	5		DBBDRO
C[NH2+]CCN(C)C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC	ZINC000418931259	392139058	/nfs/dbraw/zinc/13/90/58/392139058.db2.gz	GVHYTAYWMZHSKK-UHFFFAOYSA-N	1	0	324.337	-0.103	20	5		DBBDRO
C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1	ZINC000419457758	392139117	/nfs/dbraw/zinc/13/91/17/392139117.db2.gz	AEISQXHXBDWJKK-AOOOYVTPSA-N	1	0	324.341	-0.884	20	5		DBBDRO
C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)[NH2+]1	ZINC000419457759	392139952	/nfs/dbraw/zinc/13/99/52/392139952.db2.gz	AEISQXHXBDWJKK-NXEZZACHSA-N	1	0	324.341	-0.884	20	5		DBBDRO
O=C([C@H]1C[NH2+]CCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000424171962	392141840	/nfs/dbraw/zinc/14/18/40/392141840.db2.gz	MPRQLXCPCAXGEM-LLVKDONJSA-N	1	0	309.326	-0.057	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000394465878	392364482	/nfs/dbraw/zinc/36/44/82/392364482.db2.gz	WMLZFTQXTZOTIJ-LLVKDONJSA-N	1	0	314.367	-0.223	20	5		DBBDRO
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1	ZINC000261856289	392432630	/nfs/dbraw/zinc/43/26/30/392432630.db2.gz	FFFXBGLYOBZXDN-SECBINFHSA-N	1	0	309.326	-0.150	20	5		DBBDRO
COCCO[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000189666836	392675377	/nfs/dbraw/zinc/67/53/77/392675377.db2.gz	YLYYFCNVVZNOSV-STQMWFEESA-N	1	0	314.342	-0.111	20	5		DBBDRO
C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)CN1CCOCC1	ZINC000177354150	392655935	/nfs/dbraw/zinc/65/59/35/392655935.db2.gz	WYRAYCIFHKQAKM-GFCCVEGCSA-N	1	0	313.358	-0.584	20	5		DBBDRO
COCC[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000299249431	132094802	/nfs/dbraw/zinc/09/48/02/132094802.db2.gz	RFEMRENLFFKMFJ-UHFFFAOYSA-N	1	0	311.342	-0.028	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000351896913	393468108	/nfs/dbraw/zinc/46/81/08/393468108.db2.gz	ZARBBEGOIXDQKF-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000362009244	286225232	/nfs/dbraw/zinc/22/52/32/286225232.db2.gz	ANUDJLLBWJKJEI-FRRDWIJNSA-N	1	0	314.342	-0.064	20	5		DBBDRO
CNc1nccc(C(=O)NCCN2CCO[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000577408769	412336767	/nfs/dbraw/zinc/33/67/67/412336767.db2.gz	GFYDTCGXJGORMG-JTQLQIEISA-N	1	0	323.353	0.482	20	5		DBBDRO
COC(=O)c1cc(C)nc(NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-]	ZINC000420272744	412378095	/nfs/dbraw/zinc/37/80/95/412378095.db2.gz	LOGPIZNFNGLPIR-SNVBAGLBSA-N	1	0	323.353	0.400	20	5		DBBDRO
NC(=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1	ZINC000610368626	544446277	/nfs/dbraw/zinc/44/62/77/544446277.db2.gz	FETLFTMSOHRPSL-GFCCVEGCSA-N	1	0	311.342	-0.118	20	5		DBBDRO
O=C(CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)NC1CC1	ZINC000315993095	265686856	/nfs/dbraw/zinc/68/68/56/265686856.db2.gz	AJRBTZWUEXOYEM-LBPRGKRZSA-N	1	0	311.342	-0.199	20	5		DBBDRO
CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000429790369	265993632	/nfs/dbraw/zinc/99/36/32/265993632.db2.gz	TVRUKWNRZAQVKW-IJLUTSLNSA-N	1	0	311.342	-0.344	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000430651758	266009374	/nfs/dbraw/zinc/00/93/74/266009374.db2.gz	MBDSOVMGKWMQHV-SNVBAGLBSA-N	1	0	310.358	-0.385	20	5		DBBDRO
COC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1	ZINC000434797811	266057869	/nfs/dbraw/zinc/05/78/69/266057869.db2.gz	SYHIBWLGJXYUKX-RWMBFGLXSA-N	1	0	314.342	-0.064	20	5		DBBDRO
COC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1	ZINC000434797809	266058011	/nfs/dbraw/zinc/05/80/11/266058011.db2.gz	SYHIBWLGJXYUKX-AVGNSLFASA-N	1	0	314.342	-0.064	20	5		DBBDRO
CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000440652909	266104447	/nfs/dbraw/zinc/10/44/47/266104447.db2.gz	YWKISWSGUSEBRD-SNVBAGLBSA-N	1	0	314.346	-0.341	20	5		DBBDRO
NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000441512921	266114929	/nfs/dbraw/zinc/11/49/29/266114929.db2.gz	RLPVPRBKGYUKRG-JQWIXIFHSA-N	1	0	311.342	-0.118	20	5		DBBDRO
C[C@H]1COCCN1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000514789070	266264837	/nfs/dbraw/zinc/26/48/37/266264837.db2.gz	UPRDMVONQSLEFM-WCQYABFASA-N	1	0	313.358	-0.538	20	5		DBBDRO
CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000516762812	266285611	/nfs/dbraw/zinc/28/56/11/266285611.db2.gz	PTAUROUAFRBIQR-IJLUTSLNSA-N	1	0	300.315	-0.454	20	5		DBBDRO
C[NH+](C)[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O	ZINC000519519044	266309380	/nfs/dbraw/zinc/30/93/80/266309380.db2.gz	HHAFOQMZOREARD-STQMWFEESA-N	1	0	308.338	-0.200	20	5		DBBDRO
C[NH+](C)C1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000271739285	273792743	/nfs/dbraw/zinc/79/27/43/273792743.db2.gz	PZXYMCYFKSBYGG-UHFFFAOYSA-N	1	0	300.340	-0.008	20	5		DBBDRO
Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-]	ZINC000340977490	280189530	/nfs/dbraw/zinc/18/95/30/280189530.db2.gz	MQEDFDRHCQJHSC-SECBINFHSA-N	1	0	324.341	-0.304	20	5		DBBDRO
COC[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000566233859	332268859	/nfs/dbraw/zinc/26/88/59/332268859.db2.gz	GOYKWDSYFKWNFE-NEPJUHHUSA-N	1	0	300.311	-0.069	20	5		DBBDRO
COC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000581186981	333238653	/nfs/dbraw/zinc/23/86/53/333238653.db2.gz	PCQUDFPVRRSRSR-NSHDSACASA-N	1	0	318.351	-0.035	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000573712069	341736847	/nfs/dbraw/zinc/73/68/47/341736847.db2.gz	WLFGKTATNRMBRW-VIFPVBQESA-N	1	0	322.321	-0.043	20	5		DBBDRO
CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000157602447	519489608	/nfs/dbraw/zinc/48/96/08/519489608.db2.gz	KBOGDOUBDWTITL-GFCCVEGCSA-N	1	0	313.358	-0.144	20	5		DBBDRO
C[NH+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000339228084	521784835	/nfs/dbraw/zinc/78/48/35/521784835.db2.gz	DBEGAXYPWPZTFH-UHFFFAOYSA-N	1	0	316.339	-0.466	20	5		DBBDRO
COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266561592	523864586	/nfs/dbraw/zinc/86/45/86/523864586.db2.gz	XZLRYGNWQRYWDP-KOLCDFICSA-N	1	0	300.315	-0.107	20	5		DBBDRO
CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247707391	524112479	/nfs/dbraw/zinc/11/24/79/524112479.db2.gz	ZGYIVZOIBVJGEQ-VXGBXAGGSA-N	1	0	311.342	-0.247	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-]	ZINC000265344811	525465041	/nfs/dbraw/zinc/46/50/41/525465041.db2.gz	VOKDFVOMWALYOX-UHFFFAOYSA-N	1	0	310.358	-0.054	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000358210456	536482022	/nfs/dbraw/zinc/48/20/22/536482022.db2.gz	JLZDQJGYJFCMAJ-LBPRGKRZSA-N	1	0	315.351	-0.060	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1CC[NH2+]CC1	ZINC000237579921	527090682	/nfs/dbraw/zinc/09/06/82/527090682.db2.gz	ZRIVUGNGSQCHQV-UHFFFAOYSA-N	1	0	324.385	-0.099	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000347675715	527158547	/nfs/dbraw/zinc/15/85/47/527158547.db2.gz	SKRHMGFCNIKPOI-SECBINFHSA-N	1	0	322.325	-0.923	20	5		DBBDRO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000372061917	536368182	/nfs/dbraw/zinc/36/81/82/536368182.db2.gz	ZVAJOXUMITVNFW-IJLUTSLNSA-N	1	0	310.354	-0.583	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCC1	ZINC001022063583	664204558	/nfs/dbraw/zinc/20/45/58/664204558.db2.gz	FFSOIMHTDWPJMG-WRWGMCAJSA-N	1	0	310.354	-0.489	20	5		DBBDRO
CCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1C	ZINC001022063410	664204589	/nfs/dbraw/zinc/20/45/89/664204589.db2.gz	BGNQRYANSFSNBN-LMLFDSFASA-N	1	0	322.369	-0.221	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CCN(C)CC2)n1	ZINC000888988550	664445277	/nfs/dbraw/zinc/44/52/77/664445277.db2.gz	PDOMJRNXIFZSTI-UHFFFAOYSA-N	1	0	310.358	-0.352	20	5		DBBDRO
C[NH+]1CCC(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000991287186	674648906	/nfs/dbraw/zinc/64/89/06/674648906.db2.gz	PINCRQQVGCHQED-CHWSQXEVSA-N	1	0	324.381	-0.290	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976482595	665363139	/nfs/dbraw/zinc/36/31/39/665363139.db2.gz	WKDMYWMITHZACK-DIACKHNESA-N	1	0	322.365	-0.680	20	5		DBBDRO
C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C	ZINC000896569598	671412747	/nfs/dbraw/zinc/41/27/47/671412747.db2.gz	UWZKUTZVHRAURU-WCQYABFASA-N	1	0	324.385	-0.068	20	5		DBBDRO
C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896569599	671413939	/nfs/dbraw/zinc/41/39/39/671413939.db2.gz	UWZKUTZVHRAURU-YPMHNXCESA-N	1	0	324.385	-0.068	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001804543	678959581	/nfs/dbraw/zinc/95/95/81/678959581.db2.gz	HIAOMJUZOLNCTG-VXGBXAGGSA-N	1	0	310.354	-0.678	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC001164390148	718831455	/nfs/dbraw/zinc/83/14/55/718831455.db2.gz	APXWKGRNUAKTSP-SNVBAGLBSA-N	1	0	308.298	-0.008	20	5		DBBDRO
CNC(=O)[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000843108634	805607803	/nfs/dbraw/zinc/60/78/03/805607803.db2.gz	AOXVTPMKYBFQTM-GXSJLCMTSA-N	1	0	313.310	-0.969	20	5		DBBDRO
COC[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000843080104	805608380	/nfs/dbraw/zinc/60/83/80/805608380.db2.gz	GOYKWDSYFKWNFE-RYUDHWBXSA-N	1	0	300.311	-0.069	20	5		DBBDRO
O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)c1	ZINC000843115000	805609385	/nfs/dbraw/zinc/60/93/85/805609385.db2.gz	FMPQYXGKPIYPKB-QWHCGFSZSA-N	1	0	307.310	-0.130	20	5		DBBDRO
CC[N@H+](C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297047705	805666595	/nfs/dbraw/zinc/66/65/95/805666595.db2.gz	UWIXGBZLTICQJF-GHMZBOCLSA-N	1	0	312.370	-0.291	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[NH+]1CCC(O)CC1	ZINC001298020075	805740592	/nfs/dbraw/zinc/74/05/92/805740592.db2.gz	NIKJIOWVRIQVOY-UHFFFAOYSA-N	1	0	311.342	-0.327	20	5		DBBDRO
Cn1cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])n1	ZINC001307994331	805932512	/nfs/dbraw/zinc/93/25/12/805932512.db2.gz	NOGBKFLJDVDBKH-STQMWFEESA-N	1	0	307.310	-0.187	20	5		DBBDRO
COC1(OC)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC001308037023	805933604	/nfs/dbraw/zinc/93/36/04/805933604.db2.gz	XQSMQSYSCGHTKM-NSHDSACASA-N	1	0	300.315	-0.153	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000854466361	806037635	/nfs/dbraw/zinc/03/76/35/806037635.db2.gz	BKLVJARIMIFWRG-NSHDSACASA-N	1	0	321.337	-0.017	20	5		DBBDRO
Cc1n[nH]c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001318587028	806314534	/nfs/dbraw/zinc/31/45/34/806314534.db2.gz	ICTPPNFBHOOYMM-VIFPVBQESA-N	1	0	310.358	-0.008	20	5		DBBDRO
CC(C)(CNC(=O)Cn1ncc([N+](=O)[O-])n1)N1CCOCC1	ZINC000863374887	806355241	/nfs/dbraw/zinc/35/52/41/806355241.db2.gz	YXNGZJVTSJXBED-UHFFFAOYSA-N	1	0	312.330	-0.587	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(OCCO)CC2)c1	ZINC001319510007	806386316	/nfs/dbraw/zinc/38/63/16/806386316.db2.gz	DTSPKUVUNDIBJC-LBPRGKRZSA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1	ZINC001324195925	806950913	/nfs/dbraw/zinc/95/09/13/806950913.db2.gz	RTHZZHUPENVYBW-CMPLNLGQSA-N	1	0	307.314	-0.309	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC001324195928	806950926	/nfs/dbraw/zinc/95/09/26/806950926.db2.gz	RTHZZHUPENVYBW-PWSUYJOCSA-N	1	0	307.314	-0.309	20	5		DBBDRO
CS(=O)(=O)NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000158620935	803822618	/nfs/dbraw/zinc/82/26/18/803822618.db2.gz	LPXCXXDFQASUKV-NSHDSACASA-N	1	0	303.340	-0.233	20	5		DBBDRO
O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)N1CCC1	ZINC001280480111	803963688	/nfs/dbraw/zinc/96/36/88/803963688.db2.gz	BFKBDXZWBPWNSK-GHMZBOCLSA-N	1	0	310.354	-0.488	20	5		DBBDRO
C[NH+](C)C[C@H](O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000758836655	804196795	/nfs/dbraw/zinc/19/67/95/804196795.db2.gz	GKIMDMSXTITEHT-MRVPVSSYSA-N	1	0	318.355	-0.423	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001285368414	804865453	/nfs/dbraw/zinc/86/54/53/804865453.db2.gz	WBLMXKQGIZKGHD-VXGBXAGGSA-N	1	0	314.386	-0.091	20	5		DBBDRO
CC1(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)OCCO1	ZINC000819227373	805124552	/nfs/dbraw/zinc/12/45/52/805124552.db2.gz	GKHZBCSXIMJSSC-NSHDSACASA-N	1	0	300.315	-0.105	20	5		DBBDRO
Cc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)c(N)c([N+](=O)[O-])c1	ZINC000832410553	805481248	/nfs/dbraw/zinc/48/12/48/805481248.db2.gz	XBNJMLGPFMFICV-UHFFFAOYSA-N	1	0	321.337	-0.353	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000839648288	805557495	/nfs/dbraw/zinc/55/74/95/805557495.db2.gz	AOEZTHRPRRLTDI-VXGBXAGGSA-N	1	0	310.354	-0.582	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-]	ZINC001326064507	807140543	/nfs/dbraw/zinc/14/05/43/807140543.db2.gz	YACUQQWVUAMBDA-NSHDSACASA-N	1	0	322.369	-0.244	20	5		DBBDRO
O=C(C(=O)N1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001326473059	807185062	/nfs/dbraw/zinc/18/50/62/807185062.db2.gz	VNPZPTAEYCASBW-UHFFFAOYSA-N	1	0	304.306	-0.131	20	5		DBBDRO
O=C1CC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1	ZINC001328428833	807426221	/nfs/dbraw/zinc/42/62/21/807426221.db2.gz	IRODIZBCTCNNLG-WXHSDQCUSA-N	1	0	323.353	-0.247	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC001328508525	807434866	/nfs/dbraw/zinc/43/48/66/807434866.db2.gz	FZBGEZFNYPROCT-GFCCVEGCSA-N	1	0	323.353	-0.151	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)n1	ZINC001329058733	807512054	/nfs/dbraw/zinc/51/20/54/807512054.db2.gz	COHPBFDNQBZJFN-NXEZZACHSA-N	1	0	309.326	-0.391	20	5		DBBDRO
Cn1cc([C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001329434860	807565450	/nfs/dbraw/zinc/56/54/50/807565450.db2.gz	YJSKYSNVHIRNLS-VXGBXAGGSA-N	1	0	310.314	-0.791	20	5		DBBDRO
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@H]21	ZINC001331642991	807807081	/nfs/dbraw/zinc/80/70/81/807807081.db2.gz	FWAREDFBHUBJMX-MSRIBSCDSA-N	1	0	306.322	-0.225	20	5		DBBDRO
[NH3+][C@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1	ZINC001331833411	807839592	/nfs/dbraw/zinc/83/95/92/807839592.db2.gz	HKMNJIINGQPJGW-NSHDSACASA-N	1	0	304.306	-0.003	20	5		DBBDRO
COCC[NH2+]C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001332725723	807970776	/nfs/dbraw/zinc/97/07/76/807970776.db2.gz	YBWZQADUQBBAKP-UHFFFAOYSA-N	1	0	312.330	-0.587	20	5		DBBDRO
C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001334932749	808214143	/nfs/dbraw/zinc/21/41/43/808214143.db2.gz	DVYZIDUIFGEBTD-YUMQZZPRSA-N	1	0	303.344	-0.171	20	5		DBBDRO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001335215879	808255625	/nfs/dbraw/zinc/25/56/25/808255625.db2.gz	GGJFYGBZHKWKCG-SNVBAGLBSA-N	1	0	324.337	-0.105	20	5		DBBDRO
C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C[NH+]1CCN(C)CC1	ZINC001341457237	808685763	/nfs/dbraw/zinc/68/57/63/808685763.db2.gz	VGVMATLEBZFLJA-NSHDSACASA-N	1	0	324.385	-0.058	20	5		DBBDRO
CN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000954322390	809215964	/nfs/dbraw/zinc/21/59/64/809215964.db2.gz	ORTHRGHTJPXCRN-VXGBXAGGSA-N	1	0	310.354	-0.583	20	5		DBBDRO
CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[NH+]2CCCC2)C1	ZINC000967951525	811327168	/nfs/dbraw/zinc/32/71/68/811327168.db2.gz	FWKXSTVGPVYNMU-CHWSQXEVSA-N	1	0	324.381	-0.193	20	5		DBBDRO
C[NH+](C)C1(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1	ZINC001011115847	812846078	/nfs/dbraw/zinc/84/60/78/812846078.db2.gz	YWNNFDUDBCMSQR-VXGBXAGGSA-N	1	0	324.381	-0.193	20	5		DBBDRO
Cn1cnnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001034642443	814708476	/nfs/dbraw/zinc/70/84/76/814708476.db2.gz	CQCNKTCZEPOKQF-DDHJBXDOSA-N	1	0	322.369	-0.003	20	5		DBBDRO
Cn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001034644001	814709403	/nfs/dbraw/zinc/70/94/03/814709403.db2.gz	XQEJVVVHVBNKFI-DDHJBXDOSA-N	1	0	322.369	-0.003	20	5		DBBDRO
CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	ZINC001048525061	817370887	/nfs/dbraw/zinc/37/08/87/817370887.db2.gz	JAFXXNYIHHQJLB-NZEXEKPDSA-N	1	0	324.381	-0.243	20	5		DBBDRO
NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1	ZINC001049020708	817511853	/nfs/dbraw/zinc/51/18/53/817511853.db2.gz	JWWVCFYAZWXNIS-TXEJJXNPSA-N	1	0	318.333	-0.030	20	5		DBBDRO
CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001050517479	817725178	/nfs/dbraw/zinc/72/51/78/817725178.db2.gz	UZKAJJVQSMSKKQ-VXGBXAGGSA-N	1	0	324.381	-0.336	20	5		DBBDRO
CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001055472866	818240120	/nfs/dbraw/zinc/24/01/20/818240120.db2.gz	HPRRRSAQPPQBGZ-VXGBXAGGSA-N	1	0	312.370	-0.242	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)CC[NH+](C)C)CC1	ZINC001113298257	828480713	/nfs/dbraw/zinc/48/07/13/828480713.db2.gz	YZPMMSGAGLLJKS-UHFFFAOYSA-N	1	0	324.385	-0.076	20	5		DBBDRO
Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001086082958	825174760	/nfs/dbraw/zinc/17/47/60/825174760.db2.gz	JCVGBXVTGVWQRY-RBLKWDMZSA-N	1	0	308.342	-0.535	20	5		DBBDRO
O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001086084415	825175399	/nfs/dbraw/zinc/17/53/99/825175399.db2.gz	QKDVSHSYVFIBPN-YVECIDJPSA-N	1	0	324.381	-0.242	20	5		DBBDRO
CCn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363276	825243333	/nfs/dbraw/zinc/24/33/33/825243333.db2.gz	LJKRGZNVXHVEAI-DDHJBXDOSA-N	1	0	322.369	-0.052	20	5		DBBDRO
CC(C)N(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001274014652	833005555	/nfs/dbraw/zinc/00/55/55/833005555.db2.gz	BGRMBDQYWLTDRK-XLMCQVRKSA-N	1	0	312.370	-0.220	20	5		DBBDRO
COCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001098366298	826471735	/nfs/dbraw/zinc/47/17/35/826471735.db2.gz	ZKTVXMPLTVHKMO-CHWSQXEVSA-N	1	0	315.370	-0.417	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1COCCC12C[NH2+]C2	ZINC001163066887	833129959	/nfs/dbraw/zinc/12/99/59/833129959.db2.gz	XMAHGJYXXCGSHN-JTQLQIEISA-N	1	0	307.310	-0.121	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001163237998	833140555	/nfs/dbraw/zinc/14/05/55/833140555.db2.gz	KQFUXHSTXOYUFZ-PRHODGIISA-N	1	0	306.282	-0.921	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)N1	ZINC001163236330	833140790	/nfs/dbraw/zinc/14/07/90/833140790.db2.gz	HRAUPGNAMFITCV-JVXZTZIISA-N	1	0	303.282	-0.144	20	5		DBBDRO
NC(=O)c1ccnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001163239469	833141258	/nfs/dbraw/zinc/14/12/58/833141258.db2.gz	GCRVFPYBKYPDMS-KRTXAFLBSA-N	1	0	306.282	-0.921	20	5		DBBDRO
CN(c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])S(=O)(=O)CC[NH3+]	ZINC001164286973	833199889	/nfs/dbraw/zinc/19/98/89/833199889.db2.gz	FNMVYLTZHQBCCZ-UHFFFAOYSA-N	1	0	310.719	-0.394	20	5		DBBDRO
COc1ncnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-]	ZINC001165256221	833233394	/nfs/dbraw/zinc/23/33/94/833233394.db2.gz	QRYCPQVLIWMZDY-UHFFFAOYSA-N	1	0	322.325	-0.548	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2CCS(=O)(=O)CC2)nc1C1C[NH2+]C1	ZINC001165365888	833243381	/nfs/dbraw/zinc/24/33/81/833243381.db2.gz	JOWTZIVJYNLYFY-UHFFFAOYSA-N	1	0	313.339	-0.694	20	5		DBBDRO
COC(=O)c1ccnc(N2C[C@H]([NH3+])C[C@H]2C(=O)OC)c1[N+](=O)[O-]	ZINC001166964160	833287506	/nfs/dbraw/zinc/28/75/06/833287506.db2.gz	ZBDCZYFBAYZPEN-APPZFPTMSA-N	1	0	324.293	-0.145	20	5		DBBDRO
C[NH+](C)CCC(=O)NCC1(Nc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001110325399	828170725	/nfs/dbraw/zinc/17/07/25/828170725.db2.gz	NIUSNADDNPBFQV-UHFFFAOYSA-N	1	0	323.357	-0.021	20	5		DBBDRO
CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1	ZINC001115529159	828849167	/nfs/dbraw/zinc/84/91/67/828849167.db2.gz	CDXDXQGARITZKN-GHMZBOCLSA-N	1	0	312.370	-0.194	20	5		DBBDRO
Cc1n[nH]c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001116065833	828874597	/nfs/dbraw/zinc/87/45/97/828874597.db2.gz	YLVJMHGXTBYPEE-VIFPVBQESA-N	1	0	310.358	-0.008	20	5		DBBDRO
COc1ccc(C[C@H](C)[NH2+]C(CO)(CO)CO)c([N+](=O)[O-])c1	ZINC001170311094	833350607	/nfs/dbraw/zinc/35/06/07/833350607.db2.gz	ZIBLAHSFNMGMGZ-JTQLQIEISA-N	1	0	314.338	-0.160	20	5		DBBDRO
COc1ccc(C[C@@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O)c([N+](=O)[O-])c1	ZINC001170329221	833351020	/nfs/dbraw/zinc/35/10/20/833351020.db2.gz	XTKBDCHRJHNIMI-KCJUWKMLSA-N	1	0	324.337	-0.147	20	5		DBBDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(OC)ncc1[N+](=O)[O-]	ZINC001170871050	833361654	/nfs/dbraw/zinc/36/16/54/833361654.db2.gz	ZACOPZTVPABKJR-HTQZYQBOSA-N	1	0	311.298	-0.044	20	5		DBBDRO
COC(=O)CNC(=O)CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2	ZINC001170950541	833362860	/nfs/dbraw/zinc/36/28/60/833362860.db2.gz	WWOSHAKCRJSIRI-UHFFFAOYSA-N	1	0	308.294	-0.101	20	5		DBBDRO
O=C(Cn1cnnn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001123304193	829651363	/nfs/dbraw/zinc/65/13/63/829651363.db2.gz	FTIKCLHORZUKOE-UHFFFAOYSA-N	1	0	305.298	-0.513	20	5		DBBDRO
CNC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	ZINC001126932403	829970528	/nfs/dbraw/zinc/97/05/28/829970528.db2.gz	WDIQAXAKPQVCAD-CHWSQXEVSA-N	1	0	320.349	-0.083	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCC1	ZINC001126942691	829971257	/nfs/dbraw/zinc/97/12/57/829971257.db2.gz	DWZJLCDTSONLQK-VXGBXAGGSA-N	1	0	312.370	-0.194	20	5		DBBDRO
CNC(=O)NCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001128789062	830130356	/nfs/dbraw/zinc/13/03/56/830130356.db2.gz	DGMFYVOVARERAX-UHFFFAOYSA-N	1	0	315.355	-0.209	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1	ZINC001138061771	831174026	/nfs/dbraw/zinc/17/40/26/831174026.db2.gz	UGUIENIEELHHAM-JTQLQIEISA-N	1	0	303.706	-0.232	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCC[N@H+]1CCCO	ZINC001141311631	831190568	/nfs/dbraw/zinc/19/05/68/831190568.db2.gz	LSJIZDRVUYXETN-SNVBAGLBSA-N	1	0	312.330	-0.851	20	5		DBBDRO
O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001144246309	831249161	/nfs/dbraw/zinc/24/91/61/831249161.db2.gz	DVEYLAJRLMEPPX-NKWVEPMBSA-N	1	0	315.717	-0.138	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)n1	ZINC001147976929	831420813	/nfs/dbraw/zinc/42/08/13/831420813.db2.gz	DANUEIZZHTZXCY-UHFFFAOYSA-N	1	0	311.342	-0.002	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCOCCO	ZINC001153233928	831800267	/nfs/dbraw/zinc/80/02/67/831800267.db2.gz	VHNYBAJJCKOBTB-UHFFFAOYSA-N	1	0	314.342	-0.396	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2CCn3nncc3C2)nc1C1C[NH2+]C1	ZINC001154829152	831901457	/nfs/dbraw/zinc/90/14/57/831901457.db2.gz	GEQVIGJOWLFHAX-UHFFFAOYSA-N	1	0	302.298	-0.317	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cn[nH]c1	ZINC001155016919	831912401	/nfs/dbraw/zinc/91/24/01/831912401.db2.gz	VGBUIIRFCLGTEP-UHFFFAOYSA-N	1	0	307.314	-0.039	20	5		DBBDRO
O=[N+]([O-])c1cnc(N[C@H]2CCS(=O)(=O)C2)nc1C1C[NH2+]C1	ZINC001155058821	831914935	/nfs/dbraw/zinc/91/49/35/831914935.db2.gz	ZVULZODEHPDYBV-QMMMGPOBSA-N	1	0	313.339	-0.329	20	5		DBBDRO
O=C1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C(=O)N1	ZINC001156723270	831996314	/nfs/dbraw/zinc/99/63/14/831996314.db2.gz	RPVZDBTXBLQONQ-SSDOTTSWSA-N	1	0	306.282	-0.711	20	5		DBBDRO
Cn1cnc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1	ZINC001157493681	832047279	/nfs/dbraw/zinc/04/72/79/832047279.db2.gz	MWMWSXZERFIEKH-UHFFFAOYSA-N	1	0	322.329	-0.634	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1	ZINC001157549156	832052811	/nfs/dbraw/zinc/05/28/11/832052811.db2.gz	NDXBIZKQSOKNET-SNVBAGLBSA-N	1	0	311.342	-0.095	20	5		DBBDRO
O=C(Cn1ncnn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001158163524	832094757	/nfs/dbraw/zinc/09/47/57/832094757.db2.gz	UBMQUNQMONHXPV-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
COC(=O)c1nc(Cl)nc(-n2nncc2C[NH3+])c1[N+](=O)[O-]	ZINC001158420375	832109979	/nfs/dbraw/zinc/10/99/79/832109979.db2.gz	PPDXLSMGISKVGC-UHFFFAOYSA-N	1	0	313.661	-0.136	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC001158509600	832119784	/nfs/dbraw/zinc/11/97/84/832119784.db2.gz	XHAVOOLPMFULMG-CHWSQXEVSA-N	1	0	323.353	-0.151	20	5		DBBDRO
COc1nc(N2C[C@H]([NH3+])C3(COC3)C2)nc(OC)c1[N+](=O)[O-]	ZINC001158762524	832134886	/nfs/dbraw/zinc/13/48/86/832134886.db2.gz	PNXFKLXTCRTTDV-ZETCQYMHSA-N	1	0	311.298	-0.434	20	5		DBBDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@@H]21	ZINC001158784833	832136470	/nfs/dbraw/zinc/13/64/70/832136470.db2.gz	XOHLZXFPEGZEJZ-MNOVXSKESA-N	1	0	306.322	-0.081	20	5		DBBDRO
O=C(CCO)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001159090047	832156553	/nfs/dbraw/zinc/15/65/53/832156553.db2.gz	NUXAGMDKQJSCCK-UHFFFAOYSA-N	1	0	310.314	-0.842	20	5		DBBDRO
COC(=O)c1cnc(N2CCN(C)[C@@H](CO)C2)c([N+](=O)[O-])c1	ZINC001187271178	833913346	/nfs/dbraw/zinc/91/33/46/833913346.db2.gz	IWAGAXKLIFSZRW-SNVBAGLBSA-N	1	0	310.310	-0.111	20	5		DBBDRO
COc1nc(NCCN(C)CC[NH3+])nc(OC)c1[N+](=O)[O-]	ZINC001159439341	832816225	/nfs/dbraw/zinc/81/62/25/832816225.db2.gz	PABYOCJPJDXZSX-UHFFFAOYSA-N	1	0	300.319	-0.296	20	5		DBBDRO
O=C(NCCCCCC[NH2+]CCOCCO)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001178463474	833508270	/nfs/dbraw/zinc/50/82/70/833508270.db2.gz	DKMMHDUJRFYZML-CHWSQXEVSA-N	1	0	317.386	-0.073	20	5		DBBDRO
NC(=O)C[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1	ZINC001249345202	834477315	/nfs/dbraw/zinc/47/73/15/834477315.db2.gz	SZASYVCSDZJFEY-LURJTMIESA-N	1	0	310.245	-0.076	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC001251748730	834504748	/nfs/dbraw/zinc/50/47/48/834504748.db2.gz	GEFYSODHIKERJW-LBPRGKRZSA-N	1	0	324.385	-0.148	20	5		DBBDRO
C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)NCC(N)=O	ZINC001254587563	834601250	/nfs/dbraw/zinc/60/12/50/834601250.db2.gz	PXFWSZIJKTWEPL-GZMMTYOYSA-N	1	0	306.322	-0.358	20	5		DBBDRO
C[C@H]1C[N@H+](CCO)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001195094897	834657127	/nfs/dbraw/zinc/65/71/27/834657127.db2.gz	WZKIRDXZXBJSHD-AAEUAGOBSA-N	1	0	313.358	-0.849	20	5		DBBDRO
O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCC1	ZINC001205224384	835338350	/nfs/dbraw/zinc/33/83/50/835338350.db2.gz	RILMQQHKKGTJHV-CHWSQXEVSA-N	1	0	324.381	-0.288	20	5		DBBDRO
CCN(CC[NH2+]CC(=O)N(C)C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001268450381	835696620	/nfs/dbraw/zinc/69/66/20/835696620.db2.gz	VHARDWWULVWBGS-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
CC[NH+](CC)C[C@H](C)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224796454	979583314	/nfs/dbraw/zinc/58/33/14/979583314.db2.gz	JPZQUWLSBCZNNJ-JTQLQIEISA-N	1	0	318.330	-0.175	20	5		DBBDRO
C[C@@H](C[N+](C)(C)C)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224798677	979585963	/nfs/dbraw/zinc/58/59/63/979585963.db2.gz	BPBSUAGWEJDTIK-VIFPVBQESA-N	1	0	305.311	-0.810	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)n1	ZINC001331534606	979885902	/nfs/dbraw/zinc/88/59/02/979885902.db2.gz	VRJWBCBXAYPSGI-QMMMGPOBSA-N	1	0	319.343	-0.933	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)C1CC1	ZINC001343588673	979954349	/nfs/dbraw/zinc/95/43/49/979954349.db2.gz	YJHQUMUYJOZLMT-SNVBAGLBSA-N	1	0	310.310	-0.690	20	5		DBBDRO
Cn1cncc1CCC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001348934766	980387047	/nfs/dbraw/zinc/38/70/47/980387047.db2.gz	WIIUIRUVLSRUDY-GHMZBOCLSA-N	1	0	309.326	-0.750	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC001349138220	980415866	/nfs/dbraw/zinc/41/58/66/980415866.db2.gz	PHRWXTCNGUCVAX-SECBINFHSA-N	1	0	324.341	-0.745	20	5		DBBDRO
Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC001350599386	980587069	/nfs/dbraw/zinc/58/70/69/980587069.db2.gz	UCXDKHAGCJXQCB-LLVKDONJSA-N	1	0	310.358	-0.250	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCNc2ncccn2)c1	ZINC001353241500	980793028	/nfs/dbraw/zinc/79/30/28/980793028.db2.gz	RWAQZXALAXRUDG-NSHDSACASA-N	1	0	307.314	-0.356	20	5		DBBDRO
CC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001357217300	981040768	/nfs/dbraw/zinc/04/07/68/981040768.db2.gz	ZEWUTPUXNLFDKX-VXGBXAGGSA-N	1	0	314.386	-0.090	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CO)C[NH+]1CCCCC1	ZINC001556565446	1015925467	/nfs/dbraw/zinc/92/54/67/1015925467.db2.gz	ODOCBKMQFGYLGQ-SNVBAGLBSA-N	1	0	312.330	-0.851	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1	ZINC001558042534	1015967833	/nfs/dbraw/zinc/96/78/33/1015967833.db2.gz	DIDQPUJPLJLDKY-CYBMUJFWSA-N	1	0	309.326	-0.289	20	5		DBBDRO
CN(CC[NH2+]CC(=O)NCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001493544126	1015979597	/nfs/dbraw/zinc/97/95/97/1015979597.db2.gz	GVDGKIBEZOHHPK-GHMZBOCLSA-N	1	0	314.386	-0.138	20	5		DBBDRO
CN(CC[N@H+](C)CCO)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC001591107898	1016393545	/nfs/dbraw/zinc/39/35/45/1016393545.db2.gz	LAMKFLJSAQOLDC-UHFFFAOYSA-N	1	0	322.329	-0.470	20	5		DBBDRO
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC[N@H+]1CC[C@H](O)C1	ZINC001593465691	1016896118	/nfs/dbraw/zinc/89/61/18/1016896118.db2.gz	WCPFDWGLBXQXJS-QMMMGPOBSA-N	1	0	320.313	-0.352	20	5		DBBDRO
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[NH+]1CCCC1	ZINC001496740241	1017031073	/nfs/dbraw/zinc/03/10/73/1017031073.db2.gz	XRABWOZGFBUDCX-VXGBXAGGSA-N	1	0	312.370	-0.288	20	5		DBBDRO
C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21	ZINC001460228815	1009079085	/nfs/dbraw/zinc/07/90/85/1009079085.db2.gz	JKIREZDZEQVQQM-PWSUYJOCSA-N	1	0	306.322	-0.081	20	5		DBBDRO
C[C@H]1C[N@H+](CCO)CCN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC001460231229	1009082535	/nfs/dbraw/zinc/08/25/35/1009082535.db2.gz	ANQKLIZNMUZNBB-LBPRGKRZSA-N	1	0	310.354	-0.245	20	5		DBBDRO
C[C@]12C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O	ZINC001460599416	1009095473	/nfs/dbraw/zinc/09/54/73/1009095473.db2.gz	BUFMEEBQNLZOLJ-BETUJISGSA-N	1	0	307.310	-0.224	20	5		DBBDRO
C[NH+](C)CCn1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1	ZINC001465879500	1009390059	/nfs/dbraw/zinc/39/00/59/1009390059.db2.gz	ZNDGCFXCPCTAMS-UHFFFAOYSA-N	1	0	321.341	-0.021	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC1(CCO)CC[NH+](C)CC1	ZINC001466603999	1009432510	/nfs/dbraw/zinc/43/25/10/1009432510.db2.gz	AHMXUPWNWVPJCN-UHFFFAOYSA-N	1	0	311.342	-0.095	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001471374772	1009819852	/nfs/dbraw/zinc/81/98/52/1009819852.db2.gz	VNQCWYDHNVVHKH-AWEZNQCLSA-N	1	0	324.337	-0.719	20	5		DBBDRO
CN(CC[NH2+]CC(=O)Nc1ccon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001481229439	1010866615	/nfs/dbraw/zinc/86/66/15/1010866615.db2.gz	PLKXMPAZLNNYHW-RKDXNWHRSA-N	1	0	311.298	-0.674	20	5		DBBDRO
Cc1nc(C)n(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC001483732858	1012098951	/nfs/dbraw/zinc/09/89/51/1012098951.db2.gz	NUBBKGPNOGTHOJ-VXGBXAGGSA-N	1	0	322.369	-0.201	20	5		DBBDRO
O=C(NCCN1CCC([NH2+]CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001501257682	1018613516	/nfs/dbraw/zinc/61/35/16/1018613516.db2.gz	ACNNHDJFXGKCOP-CHWSQXEVSA-N	1	0	314.386	-0.796	20	5		DBBDRO
CN(C[C@@H](O)C[NH3+])S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC001578446068	1020242011	/nfs/dbraw/zinc/24/20/11/1020242011.db2.gz	OAMOBRDZJOYNJS-NSHDSACASA-N	1	0	317.367	-0.282	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC001578538110	1020261485	/nfs/dbraw/zinc/26/14/85/1020261485.db2.gz	HGDLQWQUUGTMJU-HIFRSBDPSA-N	1	0	322.365	-0.178	20	5		DBBDRO
Cc1nn(CCC(=O)NC[C@@H]2COCC[NH2+]2)c(C)c1[N+](=O)[O-]	ZINC001579895707	1020586071	/nfs/dbraw/zinc/58/60/71/1020586071.db2.gz	REBSSMMKPFAPOQ-LLVKDONJSA-N	1	0	311.342	-0.097	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])n1	ZINC001579970503	1020608701	/nfs/dbraw/zinc/60/87/01/1020608701.db2.gz	YBASTKMQHNHNGF-LDYMZIIASA-N	1	0	315.355	-0.170	20	5		DBBDRO
[NH3+]C[C@H](O)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC001580326118	1020689781	/nfs/dbraw/zinc/68/97/81/1020689781.db2.gz	XXBLFJHCQROGRN-ZDUSSCGKSA-N	1	0	308.338	-0.441	20	5		DBBDRO
O=C1CC2(C[NH2+]C2)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1	ZINC001580843418	1020804141	/nfs/dbraw/zinc/80/41/41/1020804141.db2.gz	DSGQKXPHKFUKOY-ZDUSSCGKSA-N	1	0	320.349	-0.208	20	5		DBBDRO
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1O	ZINC001580874925	1020811865	/nfs/dbraw/zinc/81/18/65/1020811865.db2.gz	PIAXNKAALXCPOQ-DTWKUNHWSA-N	1	0	319.314	-0.265	20	5		DBBDRO
C[NH+](C)CCC(=O)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001581522236	1020837850	/nfs/dbraw/zinc/83/78/50/1020837850.db2.gz	PSBOTMLHWHWIND-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
C[NH+](C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001514835142	1021502986	/nfs/dbraw/zinc/50/29/86/1021502986.db2.gz	POZVADMCCIZLGG-WRWGMCAJSA-N	1	0	312.370	-0.386	20	5		DBBDRO
C[NH+](C)C[C@@H](O)CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC001591011711	1021632586	/nfs/dbraw/zinc/63/25/86/1021632586.db2.gz	GQAURDOJHQECAY-QMMMGPOBSA-N	1	0	308.302	-0.496	20	5		DBBDRO
CN(CCCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001523413047	1022072195	/nfs/dbraw/zinc/07/21/95/1022072195.db2.gz	ISLMYPNMJOALKF-VXGBXAGGSA-N	1	0	312.370	-0.288	20	5		DBBDRO
C[NH+](C)CCCNC(=O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001559417452	1023993056	/nfs/dbraw/zinc/99/30/56/1023993056.db2.gz	SSDOVFCMFBYICQ-UHFFFAOYSA-N	1	0	300.275	-0.233	20	5		DBBDRO
Cn1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O	ZINC001567281374	1024608119	/nfs/dbraw/zinc/60/81/19/1024608119.db2.gz	LDAJUZVNIBCHLW-VXGBXAGGSA-N	1	0	308.338	-0.402	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cn1cncn1	ZINC001567603236	1024803842	/nfs/dbraw/zinc/80/38/42/1024803842.db2.gz	SAHOJMYHXIERSL-UHFFFAOYSA-N	1	0	322.329	-0.832	20	5		DBBDRO
O=C(NCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1	ZINC001569400027	1025234474	/nfs/dbraw/zinc/23/44/74/1025234474.db2.gz	FDDVEIDKUZFXGM-GHMZBOCLSA-N	1	0	310.354	-0.584	20	5		DBBDRO
O=[N+]([O-])c1cnn(CCNS(=O)(=O)C[C@H]2CCCC[NH2+]2)c1	ZINC001574441570	1026789063	/nfs/dbraw/zinc/78/90/63/1026789063.db2.gz	ZNORZFHRFSTCNT-SNVBAGLBSA-N	1	0	317.371	-0.147	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]CC1)c1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000261848274	282346679	/nfs/dbraw/zinc/34/66/79/282346679.db2.gz	ZQSRXHQHCXYVMI-UHFFFAOYSA-N	1	0	321.337	-0.438	20	5		DBBDRO
C[NH+](C)CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1=O	ZINC000593486224	412516951	/nfs/dbraw/zinc/51/69/51/412516951.db2.gz	QNGWWSQVUXNEIZ-UHFFFAOYSA-N	1	0	309.330	-0.823	20	5		DBBDRO
Nc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000375774323	412524223	/nfs/dbraw/zinc/52/42/23/412524223.db2.gz	OKKJEFPUWCRCMM-GXSJLCMTSA-N	1	0	308.342	0.002	20	5		DBBDRO
COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000341865996	138115312	/nfs/dbraw/zinc/11/53/12/138115312.db2.gz	NUQHPGIECXATCV-JTQLQIEISA-N	1	0	312.330	-0.587	20	5		DBBDRO
CCn1cc(S(=O)(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])n1	ZINC000342496413	138124598	/nfs/dbraw/zinc/12/45/98/138124598.db2.gz	KZXNROICLZELIB-UHFFFAOYSA-N	1	0	303.344	-0.029	20	5		DBBDRO
COCC[N@H+](C)CCCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000357892168	138147147	/nfs/dbraw/zinc/14/71/47/138147147.db2.gz	RABXADFZUPPDRR-UHFFFAOYSA-N	1	0	300.319	-0.729	20	5		DBBDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000046946314	283545501	/nfs/dbraw/zinc/54/55/01/283545501.db2.gz	FERGFAKFMFNELO-LBPRGKRZSA-N	1	0	324.385	-0.067	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])n1	ZINC000447245641	238323953	/nfs/dbraw/zinc/32/39/53/238323953.db2.gz	MYSZNUIUTGZTAB-MRVPVSSYSA-N	1	0	303.344	-0.173	20	5		DBBDRO
C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000563144130	284026483	/nfs/dbraw/zinc/02/64/83/284026483.db2.gz	PHZHGRMUKLYGOC-RKDXNWHRSA-N	1	0	312.330	-0.851	20	5		DBBDRO
CCn1c(C)nc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000565232720	284088976	/nfs/dbraw/zinc/08/89/76/284088976.db2.gz	LJWHYVPPUHLTDZ-ZJUUUORDSA-N	1	0	308.342	-0.132	20	5		DBBDRO
CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000578186876	374322078	/nfs/dbraw/zinc/32/20/78/374322078.db2.gz	FIEYYTYXEHEAJW-ZYHUDNBSSA-N	1	0	311.342	-0.247	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000358700985	374347704	/nfs/dbraw/zinc/34/77/04/374347704.db2.gz	GWWNJNTWUUENMO-GFCCVEGCSA-N	1	0	312.330	-0.843	20	5		DBBDRO
NC(=O)CC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000572834275	374404891	/nfs/dbraw/zinc/40/48/91/374404891.db2.gz	AXRRYTOCZFEWJF-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
C[NH+](C)[C@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1	ZINC000360355483	374520782	/nfs/dbraw/zinc/52/07/82/374520782.db2.gz	YXFAVMIJVHFOEF-NSHDSACASA-N	1	0	314.371	-0.260	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000261996689	374606240	/nfs/dbraw/zinc/60/62/40/374606240.db2.gz	UPZBZBQBJLFUGO-UHFFFAOYSA-N	1	0	309.326	-0.563	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000262081203	374608409	/nfs/dbraw/zinc/60/84/09/374608409.db2.gz	QMSSVZJCFMIGDQ-GFCCVEGCSA-N	1	0	322.369	-0.313	20	5		DBBDRO
Cc1nn(CCC(=O)N[C@H](CO)C[NH+](C)C)c(C)c1[N+](=O)[O-]	ZINC000588867241	374768494	/nfs/dbraw/zinc/76/84/94/374768494.db2.gz	ZISQZRBEHKKNOO-NSHDSACASA-N	1	0	313.358	-0.163	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588860538	374769288	/nfs/dbraw/zinc/76/92/88/374769288.db2.gz	GYXFFCSYGXDESN-QWRGUYRKSA-N	1	0	309.326	-0.541	20	5		DBBDRO
COCC[C@@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000573192638	375147293	/nfs/dbraw/zinc/14/72/93/375147293.db2.gz	ZRYOXEUEWTXMSL-CHWSQXEVSA-N	1	0	314.342	-0.063	20	5		DBBDRO
COCC[C@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000573192639	375147363	/nfs/dbraw/zinc/14/73/63/375147363.db2.gz	ZRYOXEUEWTXMSL-OLZOCXBDSA-N	1	0	314.342	-0.063	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])n1	ZINC000353457159	375268151	/nfs/dbraw/zinc/26/81/51/375268151.db2.gz	QXANGZLNPWTYEJ-QMMMGPOBSA-N	1	0	303.344	-0.077	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C(N)=O)CCCC1	ZINC000120168644	375465126	/nfs/dbraw/zinc/46/51/26/375465126.db2.gz	SFGCRJPNMFHJQH-LLVKDONJSA-N	1	0	311.342	-0.118	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000589102058	375451781	/nfs/dbraw/zinc/45/17/81/375451781.db2.gz	XFHVTGLEHNDGKX-QMMMGPOBSA-N	1	0	318.355	-0.423	20	5		DBBDRO
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000566496289	375595138	/nfs/dbraw/zinc/59/51/38/375595138.db2.gz	QPWRSRFBJDBMEF-SCZZXKLOSA-N	1	0	319.321	-0.439	20	5		DBBDRO
NC(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000184812897	375555613	/nfs/dbraw/zinc/55/56/13/375555613.db2.gz	DCGSGJAHPWZXAM-SRVKXCTJSA-N	1	0	311.342	-0.214	20	5		DBBDRO
CN(C)C[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592432377	375801951	/nfs/dbraw/zinc/80/19/51/375801951.db2.gz	WAXMPZGTBKPPLM-DGCLKSJQSA-N	1	0	313.354	-0.153	20	5		DBBDRO
CN(C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592429508	375803754	/nfs/dbraw/zinc/80/37/54/375803754.db2.gz	HNEKTXUKMAAOHE-NEPJUHHUSA-N	1	0	313.354	-0.153	20	5		DBBDRO
CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592429509	375804016	/nfs/dbraw/zinc/80/40/16/375804016.db2.gz	HNEKTXUKMAAOHE-NWDGAFQWSA-N	1	0	313.354	-0.153	20	5		DBBDRO
CN(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592429511	375804412	/nfs/dbraw/zinc/80/44/12/375804412.db2.gz	HNEKTXUKMAAOHE-VXGBXAGGSA-N	1	0	313.354	-0.153	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000592548585	375811251	/nfs/dbraw/zinc/81/12/51/375811251.db2.gz	KONABDOEIKJCTC-NSHDSACASA-N	1	0	310.310	-0.090	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000592550899	375812625	/nfs/dbraw/zinc/81/26/25/375812625.db2.gz	IXZHZMJDQGAVBE-VIFPVBQESA-N	1	0	311.298	-0.845	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000592870846	375826710	/nfs/dbraw/zinc/82/67/10/375826710.db2.gz	GMMCROSNKVDZRC-VIFPVBQESA-N	1	0	324.341	-0.480	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000592873642	375826793	/nfs/dbraw/zinc/82/67/93/375826793.db2.gz	PSQDTMBSQDRSBX-VIFPVBQESA-N	1	0	324.341	-0.480	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000592874027	375826818	/nfs/dbraw/zinc/82/68/18/375826818.db2.gz	QLWNOZHNKMUSQB-MRVPVSSYSA-N	1	0	310.314	-0.490	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000593234896	375852770	/nfs/dbraw/zinc/85/27/70/375852770.db2.gz	OJABLEMZSWXXPA-UHFFFAOYSA-N	1	0	324.341	-0.976	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1=O	ZINC000593234633	375852842	/nfs/dbraw/zinc/85/28/42/375852842.db2.gz	KTDKADABSGBICL-UHFFFAOYSA-N	1	0	321.337	-0.164	20	5		DBBDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593577446	375871957	/nfs/dbraw/zinc/87/19/57/375871957.db2.gz	BCAYEJGXESVEAZ-UHFFFAOYSA-N	1	0	318.355	-0.418	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O	ZINC000593784595	375890616	/nfs/dbraw/zinc/89/06/16/375890616.db2.gz	SCIRGLVRVUQOMS-UHFFFAOYSA-N	1	0	310.314	-0.836	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)nc1	ZINC000595112057	375973232	/nfs/dbraw/zinc/97/32/32/375973232.db2.gz	QMWMUWAZRCFGGZ-YUMQZZPRSA-N	1	0	304.303	-0.032	20	5		DBBDRO
C[NH+](C)CCn1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000594322766	375919601	/nfs/dbraw/zinc/91/96/01/375919601.db2.gz	OAZBODMGEKRJPC-UHFFFAOYSA-N	1	0	321.341	-0.021	20	5		DBBDRO
CC(C)(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)n1cc([N+](=O)[O-])cn1	ZINC000594394601	375924685	/nfs/dbraw/zinc/92/46/85/375924685.db2.gz	YLEAZOQEGHXRKB-CMPLNLGQSA-N	1	0	323.353	-0.196	20	5		DBBDRO
[NH3+]C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)(F)F	ZINC000594451274	375931178	/nfs/dbraw/zinc/93/11/78/375931178.db2.gz	HSTPZWUSAGFOML-SSDOTTSWSA-N	1	0	308.216	-0.238	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000597626384	376159802	/nfs/dbraw/zinc/15/98/02/376159802.db2.gz	SVVAOLGTRQQHOB-NSHDSACASA-N	1	0	322.369	-0.069	20	5		DBBDRO
O=[N+]([O-])c1c(N2C[C@H]3C[NH2+]C[C@@H]3C2)ncnc1N1CCOCC1	ZINC000598589862	376212916	/nfs/dbraw/zinc/21/29/16/376212916.db2.gz	MPSYUXLXSAXGLE-GHMZBOCLSA-N	1	0	320.353	-0.123	20	5		DBBDRO
Nc1nc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N)[nH+]1	ZINC000599060194	376238459	/nfs/dbraw/zinc/23/84/59/376238459.db2.gz	UZLPBDNZABZIQV-ZETCQYMHSA-N	1	0	317.313	-0.309	20	5		DBBDRO
CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599098722	376242501	/nfs/dbraw/zinc/24/25/01/376242501.db2.gz	YVHNEQHOPSEEAN-QMMMGPOBSA-N	1	0	305.360	-0.020	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)n1	ZINC000599098171	376242622	/nfs/dbraw/zinc/24/26/22/376242622.db2.gz	PXINYCUTAWODEU-MRVPVSSYSA-N	1	0	303.344	-0.251	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)n1	ZINC000599106403	376244819	/nfs/dbraw/zinc/24/48/19/376244819.db2.gz	GJNPTUVAEKFBJG-MRVPVSSYSA-N	1	0	305.360	-0.020	20	5		DBBDRO
CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599108199	376246032	/nfs/dbraw/zinc/24/60/32/376246032.db2.gz	SFOZFOJOBURZSV-JGVFFNPUSA-N	1	0	303.344	-0.253	20	5		DBBDRO
C[C@@H]1[NH2+]CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C	ZINC000599109691	376246618	/nfs/dbraw/zinc/24/66/18/376246618.db2.gz	VUISXXHSBKEJAE-YUMQZZPRSA-N	1	0	303.344	-0.301	20	5		DBBDRO
[NH3+]CCCOCCNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000599110013	376247865	/nfs/dbraw/zinc/24/78/65/376247865.db2.gz	CASOGWXVPZFGPG-UHFFFAOYSA-N	1	0	304.328	-0.367	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)n1	ZINC000599237910	376262410	/nfs/dbraw/zinc/26/24/10/376262410.db2.gz	UMGWEDFSRAEJAJ-VIFPVBQESA-N	1	0	317.371	-0.100	20	5		DBBDRO
Cc1ccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000599899832	376342701	/nfs/dbraw/zinc/34/27/01/376342701.db2.gz	ORKUARSKNCAFJH-NSHDSACASA-N	1	0	322.321	-0.054	20	5		DBBDRO
Cc1c(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-]	ZINC000599951497	376350320	/nfs/dbraw/zinc/35/03/20/376350320.db2.gz	XEHGQCYLXBEVQR-LLVKDONJSA-N	1	0	306.322	-0.002	20	5		DBBDRO
C[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000315326958	376669662	/nfs/dbraw/zinc/66/96/62/376669662.db2.gz	MIKTZVBGYMTDSL-DGCLKSJQSA-N	1	0	313.358	-0.538	20	5		DBBDRO
CCNC(=O)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C	ZINC000292937893	377224686	/nfs/dbraw/zinc/22/46/86/377224686.db2.gz	BWULFBNTSLREOD-RYUDHWBXSA-N	1	0	313.358	-0.098	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000356493777	378061065	/nfs/dbraw/zinc/06/10/65/378061065.db2.gz	YMERGWZJGDVLKE-UHFFFAOYSA-N	1	0	310.358	-0.352	20	5		DBBDRO
CCn1nc(C)c([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000574414304	378156511	/nfs/dbraw/zinc/15/65/11/378156511.db2.gz	PCDYNXLVAPYRQM-ZJUUUORDSA-N	1	0	308.342	-0.132	20	5		DBBDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1	ZINC000248822217	378994068	/nfs/dbraw/zinc/99/40/68/378994068.db2.gz	BYSVVWLQHHIHCL-MNOVXSKESA-N	1	0	311.342	-0.295	20	5		DBBDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1	ZINC000248822220	378992927	/nfs/dbraw/zinc/99/29/27/378992927.db2.gz	BYSVVWLQHHIHCL-QWRGUYRKSA-N	1	0	311.342	-0.295	20	5		DBBDRO
COC[C@@](C)(O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582296688	379615493	/nfs/dbraw/zinc/61/54/93/379615493.db2.gz	RHYZXJCUYVFMRD-NEPJUHHUSA-N	1	0	302.331	-0.471	20	5		DBBDRO
NC(=O)[C@@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1	ZINC000582428187	379652541	/nfs/dbraw/zinc/65/25/41/379652541.db2.gz	DANQAQSBEUYFTN-CYBMUJFWSA-N	1	0	308.294	-0.233	20	5		DBBDRO
CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000228373918	379866195	/nfs/dbraw/zinc/86/61/95/379866195.db2.gz	MBTCICZORGNDCG-FBIMIBRVSA-N	1	0	304.372	-0.146	20	5		DBBDRO
C[C@H](O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO	ZINC000248879829	379817685	/nfs/dbraw/zinc/81/76/85/379817685.db2.gz	CZEAJUACXMYKRP-JBLDHEPKSA-N	1	0	302.331	-0.784	20	5		DBBDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075620742	380148371	/nfs/dbraw/zinc/14/83/71/380148371.db2.gz	PNJBIKDHWAKXPV-RYUDHWBXSA-N	1	0	311.342	-0.295	20	5		DBBDRO
O=C(Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1	ZINC000385880593	380493835	/nfs/dbraw/zinc/49/38/35/380493835.db2.gz	LQMZMZLQACCCJG-UHFFFAOYSA-N	1	0	306.322	-0.315	20	5		DBBDRO
Cc1c(CC(=O)NCC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-]	ZINC000576815641	380501436	/nfs/dbraw/zinc/50/14/36/380501436.db2.gz	DLHYQZDHVWRKTO-UHFFFAOYSA-N	1	0	320.349	-0.006	20	5		DBBDRO
Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)n1C	ZINC000581662794	382164502	/nfs/dbraw/zinc/16/45/02/382164502.db2.gz	XARTVVDOFNXYAL-CYBMUJFWSA-N	1	0	321.337	-0.051	20	5		DBBDRO
NC(=O)NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000026594583	382229445	/nfs/dbraw/zinc/22/94/45/382229445.db2.gz	VIGUPWITJAPMQV-UHFFFAOYSA-N	1	0	322.325	-0.303	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000405324855	382407617	/nfs/dbraw/zinc/40/76/17/382407617.db2.gz	WOFKEZXHAZFPPA-VHSXEESVSA-N	1	0	308.294	-0.414	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2CC[NH2+][C@H]2C1	ZINC000369340001	382524169	/nfs/dbraw/zinc/52/41/69/382524169.db2.gz	RTZJBZZWSAZWJB-PWSUYJOCSA-N	1	0	306.322	-0.033	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000619873506	382525405	/nfs/dbraw/zinc/52/54/05/382525405.db2.gz	JNXQOLPSBUBQAD-LBPRGKRZSA-N	1	0	322.369	-0.313	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000619874092	382526266	/nfs/dbraw/zinc/52/62/66/382526266.db2.gz	YQMPVMUWWDGFFL-LBPRGKRZSA-N	1	0	322.369	-0.394	20	5		DBBDRO
Cc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-]	ZINC000619873745	382526348	/nfs/dbraw/zinc/52/63/48/382526348.db2.gz	UFOYNLOMWBVNFX-JTQLQIEISA-N	1	0	308.342	-0.254	20	5		DBBDRO
CO[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OC	ZINC000276814683	382586433	/nfs/dbraw/zinc/58/64/33/382586433.db2.gz	DZBDDUYEERWPGD-SDDRHHMPSA-N	1	0	300.315	-0.502	20	5		DBBDRO
CS[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1[NH+](C)C	ZINC000330647099	382596644	/nfs/dbraw/zinc/59/66/44/382596644.db2.gz	HABWTTNNVCDYLP-BDAKNGLRSA-N	1	0	314.371	-0.310	20	5		DBBDRO
C[N@H+]1C[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]2C1	ZINC000278972032	382596814	/nfs/dbraw/zinc/59/68/14/382596814.db2.gz	CMTBCWUQYPHASL-PHIMTYICSA-N	1	0	306.322	-0.224	20	5		DBBDRO
COC[C@](C)(CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000132556631	382640065	/nfs/dbraw/zinc/64/00/65/382640065.db2.gz	IOUKHTYLLLRPDW-NEPJUHHUSA-N	1	0	302.331	-0.471	20	5		DBBDRO
C[NH+]1CCN(Cc2cn(CCn3ccc([N+](=O)[O-])n3)nn2)CC1	ZINC000603218605	382640076	/nfs/dbraw/zinc/64/00/76/382640076.db2.gz	JDXRJWMIZAUFIT-UHFFFAOYSA-N	1	0	320.357	-0.170	20	5		DBBDRO
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1	ZINC000355328197	382643081	/nfs/dbraw/zinc/64/30/81/382643081.db2.gz	DOKONHJBJGBLCF-MNOVXSKESA-N	1	0	324.341	-0.492	20	5		DBBDRO
COC[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[NH2+]1	ZINC000357278301	382645181	/nfs/dbraw/zinc/64/51/81/382645181.db2.gz	ZCNVBIXONJCFFY-AWEZNQCLSA-N	1	0	324.337	-0.359	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000600537205	382635839	/nfs/dbraw/zinc/63/58/39/382635839.db2.gz	ZFHMCAKOFNIJKD-LLVKDONJSA-N	1	0	311.342	-0.327	20	5		DBBDRO
O=C1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1	ZINC000600762992	382636833	/nfs/dbraw/zinc/63/68/33/382636833.db2.gz	YQFOMWXSZNJROG-STQMWFEESA-N	1	0	323.353	-0.105	20	5		DBBDRO
C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000132245736	382638080	/nfs/dbraw/zinc/63/80/80/382638080.db2.gz	NEGNVWAVALLHQW-VIFPVBQESA-N	1	0	303.340	-0.157	20	5		DBBDRO
CO[C@@H]1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1OC	ZINC000488069228	533476683	/nfs/dbraw/zinc/47/66/83/533476683.db2.gz	DZBDDUYEERWPGD-QJPTWQEYSA-N	1	0	300.315	-0.502	20	5		DBBDRO
Cc1c(C(=O)N[C@H](C)C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000274474044	130239489	/nfs/dbraw/zinc/23/94/89/130239489.db2.gz	YDXYVRBHYUOWIG-ZCFIWIBFSA-N	1	0	316.339	-0.372	20	5		DBBDRO
Cc1nn(CCC(=O)N2CCO[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-]	ZINC000274848887	130267468	/nfs/dbraw/zinc/26/74/68/130267468.db2.gz	YBLFWBOGCCDFBU-NSHDSACASA-N	1	0	311.342	-0.016	20	5		DBBDRO
C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C[NH2+]1	ZINC000419470571	392139691	/nfs/dbraw/zinc/13/96/91/392139691.db2.gz	YJDFCHCJAKXLFC-NXEZZACHSA-N	1	0	324.341	-0.884	20	5		DBBDRO
C[NH2+][C@@H](C)CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000419039110	392139798	/nfs/dbraw/zinc/13/97/98/392139798.db2.gz	KOPDDTATUSWUIY-JTQLQIEISA-N	1	0	308.338	-0.022	20	5		DBBDRO
C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173502708	392164252	/nfs/dbraw/zinc/16/42/52/392164252.db2.gz	MQDYLVMANYATSG-LLVKDONJSA-N	1	0	313.358	-0.001	20	5		DBBDRO
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C	ZINC000552081186	392130136	/nfs/dbraw/zinc/13/01/36/392130136.db2.gz	AVQMYJDPKDDSQN-VIFPVBQESA-N	1	0	309.326	-0.214	20	5		DBBDRO
C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1	ZINC000273296029	392133974	/nfs/dbraw/zinc/13/39/74/392133974.db2.gz	LGNWARPPBZGLMD-UHFFFAOYSA-N	1	0	300.340	-0.008	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000289256187	131369209	/nfs/dbraw/zinc/36/92/09/131369209.db2.gz	NWXINAXAQPDSIL-LLVKDONJSA-N	1	0	308.342	-0.703	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000289360866	131378199	/nfs/dbraw/zinc/37/81/99/131378199.db2.gz	ZERWZFXGSFVICL-LBPRGKRZSA-N	1	0	322.369	-0.313	20	5		DBBDRO
[NH3+]CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000428742070	392516763	/nfs/dbraw/zinc/51/67/63/392516763.db2.gz	BQBZIHYDFWKBNL-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
O=C1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCCN12	ZINC000583435943	392694910	/nfs/dbraw/zinc/69/49/10/392694910.db2.gz	KTKRBOAPYJOGCH-WCFLWFBJSA-N	1	0	323.353	-0.105	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])n1	ZINC000353213072	132133796	/nfs/dbraw/zinc/13/37/96/132133796.db2.gz	BQIFUIQNFBPPSU-QMMMGPOBSA-N	1	0	303.344	-0.159	20	5		DBBDRO
C[C@H](O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO	ZINC000190844920	393489182	/nfs/dbraw/zinc/48/91/82/393489182.db2.gz	CZEAJUACXMYKRP-NHCYSSNCSA-N	1	0	302.331	-0.784	20	5		DBBDRO
CNc1nccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-]	ZINC000594387111	412337135	/nfs/dbraw/zinc/33/71/35/412337135.db2.gz	RENGPDCYMRFFIB-VHSXEESVSA-N	1	0	321.337	-0.078	20	5		DBBDRO
COC(=O)c1cc(C)nc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000599175650	412377102	/nfs/dbraw/zinc/37/71/02/412377102.db2.gz	GSTNOVOTGGKCDL-SNVBAGLBSA-N	1	0	324.337	0.563	20	5		DBBDRO
COC(=O)c1cc(C)nc(NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-]	ZINC000420272743	412378854	/nfs/dbraw/zinc/37/88/54/412378854.db2.gz	LOGPIZNFNGLPIR-JTQLQIEISA-N	1	0	323.353	0.400	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)s1	ZINC000237969941	265681163	/nfs/dbraw/zinc/68/11/63/265681163.db2.gz	MSFFWHSCHQZATI-UHFFFAOYSA-N	1	0	320.396	-0.160	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1	ZINC000418930700	265758159	/nfs/dbraw/zinc/75/81/59/265758159.db2.gz	FZNDWHFJXXPAPI-SNVBAGLBSA-N	1	0	322.321	-0.221	20	5		DBBDRO
CC(C)OC[C@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000433166074	266037505	/nfs/dbraw/zinc/03/75/05/266037505.db2.gz	WTILRDGPJUWSJJ-STQMWFEESA-N	1	0	316.358	-0.130	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000434457141	266050408	/nfs/dbraw/zinc/05/04/08/266050408.db2.gz	SSEKZKOPEUGFMZ-JTQLQIEISA-N	1	0	312.330	-0.851	20	5		DBBDRO
NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000441512932	266115767	/nfs/dbraw/zinc/11/57/67/266115767.db2.gz	RLPVPRBKGYUKRG-ZYHUDNBSSA-N	1	0	311.342	-0.118	20	5		DBBDRO
COCCN1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515166126	266269172	/nfs/dbraw/zinc/26/91/72/266269172.db2.gz	AGQBJONZIZXYQE-WCQYABFASA-N	1	0	313.358	-0.538	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CCN2C1=O	ZINC000515870683	266276352	/nfs/dbraw/zinc/27/63/52/266276352.db2.gz	VSTAYBUXPBSTII-DTWKUNHWSA-N	1	0	320.309	-0.813	20	5		DBBDRO
CC[NH2+]CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000570550177	332771461	/nfs/dbraw/zinc/77/14/61/332771461.db2.gz	IODPPOIVGQFSMQ-UHFFFAOYSA-N	1	0	324.337	-0.185	20	5		DBBDRO
CSCC[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000573966866	332300100	/nfs/dbraw/zinc/30/01/00/332300100.db2.gz	OANRTCRBYZXFFA-MWLCHTKSSA-N	1	0	304.372	-0.144	20	5		DBBDRO
O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCCN12	ZINC000583435940	332405890	/nfs/dbraw/zinc/40/58/90/332405890.db2.gz	KTKRBOAPYJOGCH-CYZMBNFOSA-N	1	0	323.353	-0.105	20	5		DBBDRO
Cc1nn(CCC(=O)NC[C@@H]2C[NH2+]CCN2C)c(C)c1[N+](=O)[O-]	ZINC000570390591	332748768	/nfs/dbraw/zinc/74/87/68/332748768.db2.gz	WAKNGBGUSYHQTO-LBPRGKRZSA-N	1	0	324.385	-0.182	20	5		DBBDRO
O=C(NCCN1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000580193302	332997109	/nfs/dbraw/zinc/99/71/09/332997109.db2.gz	VRDZXZHVWFJDMT-UHFFFAOYSA-N	1	0	322.321	-0.042	20	5		DBBDRO
CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O	ZINC000582556732	337109147	/nfs/dbraw/zinc/10/91/47/337109147.db2.gz	OQZCJUCVALEQKG-JTQLQIEISA-N	1	0	313.310	-0.144	20	5		DBBDRO
C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCC[NH+](C)C	ZINC000582854902	337211121	/nfs/dbraw/zinc/21/11/21/337211121.db2.gz	BSLQJXXPKDNZRZ-MRVPVSSYSA-N	1	0	312.330	-0.876	20	5		DBBDRO
O=C(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)NCCO	ZINC000584412762	337321579	/nfs/dbraw/zinc/32/15/79/337321579.db2.gz	YZKXSTDOIMDQPE-LLVKDONJSA-N	1	0	313.310	-0.967	20	5		DBBDRO
CC(C)N1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000572356362	337615207	/nfs/dbraw/zinc/61/52/07/337615207.db2.gz	HGOVGGQBXJJDBH-ZYHUDNBSSA-N	1	0	311.342	-0.249	20	5		DBBDRO
CNC(=O)[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000566235240	341551477	/nfs/dbraw/zinc/55/14/77/341551477.db2.gz	WSJLIHDXXZIUOW-SNVBAGLBSA-N	1	0	310.310	-0.380	20	5		DBBDRO
O=C1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCCN12	ZINC000568859501	341683523	/nfs/dbraw/zinc/68/35/23/341683523.db2.gz	MXZNJQTXDRFRQW-RWMBFGLXSA-N	1	0	323.353	-0.105	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000574771465	341768516	/nfs/dbraw/zinc/76/85/16/341768516.db2.gz	XFFBNLZHTFPNAK-NWDGAFQWSA-N	1	0	304.306	-0.021	20	5		DBBDRO
CC[N@H+](CCO)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000347796456	521097893	/nfs/dbraw/zinc/09/78/93/521097893.db2.gz	VWOIDRJPFPKJIR-UHFFFAOYSA-N	1	0	313.358	-0.043	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CC[C@H]([NH2+]C)C2)c([N+](=O)[O-])n1	ZINC000353245438	523445789	/nfs/dbraw/zinc/44/57/89/523445789.db2.gz	HLIXPFANQIMTNQ-QMMMGPOBSA-N	1	0	303.344	-0.206	20	5		DBBDRO
CCc1n[nH]c(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC000331155856	523669040	/nfs/dbraw/zinc/66/90/40/523669040.db2.gz	VQAUOSGRMXCAJH-UHFFFAOYSA-N	1	0	310.358	-0.143	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000347013132	524042757	/nfs/dbraw/zinc/04/27/57/524042757.db2.gz	MIYUNNZEALMFSJ-UHFFFAOYSA-N	1	0	324.341	-0.826	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000488835323	534759209	/nfs/dbraw/zinc/75/92/09/534759209.db2.gz	WUKDROMCCXMCAW-LLVKDONJSA-N	1	0	324.341	-0.633	20	5		DBBDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1	ZINC000347161297	524552318	/nfs/dbraw/zinc/55/23/18/524552318.db2.gz	NYBDBKMDHXUTOB-SNVBAGLBSA-N	1	0	311.342	-0.143	20	5		DBBDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	ZINC000285985766	536469255	/nfs/dbraw/zinc/46/92/55/536469255.db2.gz	YBXLBBMDGHRWHD-RYUDHWBXSA-N	1	0	309.326	-0.277	20	5		DBBDRO
COCCOCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000289120234	536494557	/nfs/dbraw/zinc/49/45/57/536494557.db2.gz	WXCNFHRMKMDTBE-GFCCVEGCSA-N	1	0	302.331	-0.253	20	5		DBBDRO
NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000184812858	527002471	/nfs/dbraw/zinc/00/24/71/527002471.db2.gz	DCGSGJAHPWZXAM-SDDRHHMPSA-N	1	0	311.342	-0.214	20	5		DBBDRO
C[N@@H+](CC(=O)N1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000610367110	664051438	/nfs/dbraw/zinc/05/14/38/664051438.db2.gz	FFIJLRONOKXVKN-LBPRGKRZSA-N	1	0	311.342	-0.294	20	5		DBBDRO
COC[C@@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262327033	664189312	/nfs/dbraw/zinc/18/93/12/664189312.db2.gz	RCWWMTLWPLRPFK-GXSJLCMTSA-N	1	0	309.326	-0.024	20	5		DBBDRO
CC1(C)CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000991285225	674647123	/nfs/dbraw/zinc/64/71/23/674647123.db2.gz	BHFHIKGSUURYNC-VXGBXAGGSA-N	1	0	324.381	-0.290	20	5		DBBDRO
O=C(NC1CN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000991293605	674660509	/nfs/dbraw/zinc/66/05/09/674660509.db2.gz	CCEUTRVWMKACJJ-VXGBXAGGSA-N	1	0	322.365	-0.393	20	5		DBBDRO
O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000991299875	674672340	/nfs/dbraw/zinc/67/23/40/674672340.db2.gz	YMCSVBMVNQQLHI-GHMZBOCLSA-N	1	0	308.338	-0.926	20	5		DBBDRO
Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1	ZINC001025775237	665085150	/nfs/dbraw/zinc/08/51/50/665085150.db2.gz	HARBXAZUDUZOHC-LBELIVKGSA-N	1	0	305.338	-0.368	20	5		DBBDRO
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1	ZINC000262016425	671183735	/nfs/dbraw/zinc/18/37/35/671183735.db2.gz	LAZSCWXNSUNRTB-UHFFFAOYSA-N	1	0	321.337	-0.270	20	5		DBBDRO
Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000983648434	671223603	/nfs/dbraw/zinc/22/36/03/671223603.db2.gz	IYVOUGHMOITPOB-GWOFURMSSA-N	1	0	308.342	-0.535	20	5		DBBDRO
Cc1[nH]nc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-]	ZINC000262051557	671223748	/nfs/dbraw/zinc/22/37/48/671223748.db2.gz	MQQYYYQLKWCMRA-SNVBAGLBSA-N	1	0	308.342	-0.254	20	5		DBBDRO
CCn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000983652222	671227190	/nfs/dbraw/zinc/22/71/90/671227190.db2.gz	ADHQTXDHQMCVPV-DDHJBXDOSA-N	1	0	322.369	-0.052	20	5		DBBDRO
CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000983655118	671228955	/nfs/dbraw/zinc/22/89/55/671228955.db2.gz	PYXSUMWPRXKBEG-FPQZTECRSA-N	1	0	322.369	-0.052	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000262244686	671369081	/nfs/dbraw/zinc/36/90/81/671369081.db2.gz	RYNFMYFXIOZEKZ-UHFFFAOYSA-N	1	0	321.337	-0.319	20	5		DBBDRO
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896570613	671412355	/nfs/dbraw/zinc/41/23/55/671412355.db2.gz	CXRVRGZYXQOQIM-PWSUYJOCSA-N	1	0	310.358	-0.458	20	5		DBBDRO
C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C	ZINC000896569597	671413394	/nfs/dbraw/zinc/41/33/94/671413394.db2.gz	UWZKUTZVHRAURU-DGCLKSJQSA-N	1	0	324.385	-0.068	20	5		DBBDRO
Cn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000996429189	678247291	/nfs/dbraw/zinc/24/72/91/678247291.db2.gz	LLXMKYPXJRIWRG-GHMZBOCLSA-N	1	0	308.342	-0.439	20	5		DBBDRO
O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1	ZINC000996429206	678247564	/nfs/dbraw/zinc/24/75/64/678247564.db2.gz	LXOJLNKLZDFAMT-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
O=C(NC1CC[NH+](CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001002789254	679001561	/nfs/dbraw/zinc/00/15/61/679001561.db2.gz	TZAKSHRAXVSYGR-VXGBXAGGSA-N	1	0	308.342	-0.476	20	5		DBBDRO
O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)c1	ZINC000843114998	805609639	/nfs/dbraw/zinc/60/96/39/805609639.db2.gz	FMPQYXGKPIYPKB-OLZOCXBDSA-N	1	0	307.310	-0.130	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCCOCC1	ZINC001296677254	805646991	/nfs/dbraw/zinc/64/69/91/805646991.db2.gz	LKIUXMXVMPDHCG-UHFFFAOYSA-N	1	0	311.342	-0.062	20	5		DBBDRO
CCC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297047671	805666352	/nfs/dbraw/zinc/66/63/52/805666352.db2.gz	TUCKRMYXATVCFR-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001304083162	805919659	/nfs/dbraw/zinc/91/96/59/805919659.db2.gz	BRIGJJASKXWCQR-SNVBAGLBSA-N	1	0	322.321	-0.654	20	5		DBBDRO
CC(C)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001316823365	805995332	/nfs/dbraw/zinc/99/53/32/805995332.db2.gz	IWFFDQQTYXVXFF-GHMZBOCLSA-N	1	0	300.359	-0.386	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)n1	ZINC000858606710	806151323	/nfs/dbraw/zinc/15/13/23/806151323.db2.gz	IQFXJBITDLFSOO-MRVPVSSYSA-N	1	0	303.344	-0.312	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)n1	ZINC000858614644	806153092	/nfs/dbraw/zinc/15/30/92/806153092.db2.gz	PAGGWEIPQYOYCX-NSHDSACASA-N	1	0	315.355	-0.155	20	5		DBBDRO
CC(=O)NCC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001317562870	806187850	/nfs/dbraw/zinc/18/78/50/806187850.db2.gz	KWUGNYCLVBWRKL-UHFFFAOYSA-N	1	0	312.330	-0.988	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001318164676	806269160	/nfs/dbraw/zinc/26/91/60/806269160.db2.gz	LWTDLCNMOQGDOQ-ZJUUUORDSA-N	1	0	310.314	-0.834	20	5		DBBDRO
COC1CC[NH+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001319116369	806345654	/nfs/dbraw/zinc/34/56/54/806345654.db2.gz	AAMGXFAWUFJTLA-UHFFFAOYSA-N	1	0	312.330	-0.587	20	5		DBBDRO
O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000863317084	806352527	/nfs/dbraw/zinc/35/25/27/806352527.db2.gz	JHBDYWBORGCNJP-OLZOCXBDSA-N	1	0	309.322	-0.189	20	5		DBBDRO
CCN(CC[NH2+]Cc1cnnn1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001320733839	806522881	/nfs/dbraw/zinc/52/28/81/806522881.db2.gz	BZDUZGCPCLDDPA-VXGBXAGGSA-N	1	0	310.358	-0.099	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1	ZINC001321003692	806555297	/nfs/dbraw/zinc/55/52/97/806555297.db2.gz	NFLNWYFKQIUPEX-UHFFFAOYSA-N	1	0	308.342	-0.451	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001323237758	806840829	/nfs/dbraw/zinc/84/08/29/806840829.db2.gz	IDMKKDGYOJMYEA-VHSXEESVSA-N	1	0	309.326	-0.079	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001323237759	806841239	/nfs/dbraw/zinc/84/12/39/806841239.db2.gz	IDMKKDGYOJMYEA-ZJUUUORDSA-N	1	0	309.326	-0.079	20	5		DBBDRO
Cc1nn(C)c(C(=O)NCC2(O)CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001323480879	806878823	/nfs/dbraw/zinc/87/88/23/806878823.db2.gz	BOBGBSBJVBQQTG-UHFFFAOYSA-N	1	0	311.342	-0.177	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1	ZINC001324195927	806951051	/nfs/dbraw/zinc/95/10/51/806951051.db2.gz	RTHZZHUPENVYBW-JQWIXIFHSA-N	1	0	307.314	-0.309	20	5		DBBDRO
Cc1cccnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001279712162	803913280	/nfs/dbraw/zinc/91/32/80/803913280.db2.gz	YECPSQJTYQIPAG-TZMCWYRMSA-N	1	0	322.365	-0.034	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1	ZINC000760413113	804224008	/nfs/dbraw/zinc/22/40/08/804224008.db2.gz	ACGBCAUBANUNGV-UHFFFAOYSA-N	1	0	310.358	-0.155	20	5		DBBDRO
O=C(NCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1	ZINC001283040615	804393583	/nfs/dbraw/zinc/39/35/83/804393583.db2.gz	DETLVAQKRWZBPZ-OJAKKHQRSA-N	1	0	324.381	-0.338	20	5		DBBDRO
NS(=O)(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000785858598	804606000	/nfs/dbraw/zinc/60/60/00/804606000.db2.gz	VXHWOQCOVDXFJT-UHFFFAOYSA-N	1	0	303.344	-0.283	20	5		DBBDRO
C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001284053128	804631841	/nfs/dbraw/zinc/63/18/41/804631841.db2.gz	UJEZPQPWNPKRKH-DDHJBXDOSA-N	1	0	324.381	-0.243	20	5		DBBDRO
C[NH+](C)C1(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1	ZINC001284972921	804814021	/nfs/dbraw/zinc/81/40/21/804814021.db2.gz	GWEVXMYKGKOUOK-VXGBXAGGSA-N	1	0	324.381	-0.290	20	5		DBBDRO
CCC[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001285946206	805006643	/nfs/dbraw/zinc/00/66/43/805006643.db2.gz	KOMPEDDPCRJJIM-GHMZBOCLSA-N	1	0	312.370	-0.242	20	5		DBBDRO
O=C1CN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1	ZINC000819218473	805123570	/nfs/dbraw/zinc/12/35/70/805123570.db2.gz	HPHZZHPNITXLIN-CYBMUJFWSA-N	1	0	308.338	-0.350	20	5		DBBDRO
CNS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000819254370	805126042	/nfs/dbraw/zinc/12/60/42/805126042.db2.gz	OTSCGZJGIZHHGD-NSHDSACASA-N	1	0	303.340	-0.233	20	5		DBBDRO
O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COC2CCOCC2)c1	ZINC001325844507	807109069	/nfs/dbraw/zinc/10/90/69/807109069.db2.gz	WANJPVIYNFXNJQ-LBPRGKRZSA-N	1	0	314.342	-0.063	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cnn(C2CC[NH2+]CC2)c1	ZINC001326339680	807171684	/nfs/dbraw/zinc/17/16/84/807171684.db2.gz	PVRPDKOACAGATF-UHFFFAOYSA-N	1	0	320.313	-0.054	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)[C@H]2CCCOC2)c1	ZINC001326520123	807189290	/nfs/dbraw/zinc/18/92/90/807189290.db2.gz	VPZCPMJTEQEIBU-CYZMBNFOSA-N	1	0	314.342	-0.471	20	5		DBBDRO
CCS(=O)(=O)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001326599107	807197463	/nfs/dbraw/zinc/19/74/63/807197463.db2.gz	ZTIBLOLKPKXREH-LLVKDONJSA-N	1	0	320.371	-0.433	20	5		DBBDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC	ZINC001328352651	807415718	/nfs/dbraw/zinc/41/57/18/807415718.db2.gz	WWTYNGVCMRNJGW-VIFPVBQESA-N	1	0	324.337	-0.056	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)Cc2ccncc2)c1	ZINC001328411188	807423103	/nfs/dbraw/zinc/42/31/03/807423103.db2.gz	CITYEAPRRSKMHU-JSGCOSHPSA-N	1	0	321.337	-0.260	20	5		DBBDRO
COC1(CO)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001329017398	807506340	/nfs/dbraw/zinc/50/63/40/807506340.db2.gz	MKWAFDQNXZYEJF-LBPRGKRZSA-N	1	0	314.342	-0.375	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)n1	ZINC001329058735	807511910	/nfs/dbraw/zinc/51/19/10/807511910.db2.gz	COHPBFDNQBZJFN-VHSXEESVSA-N	1	0	309.326	-0.391	20	5		DBBDRO
C[C@H]1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[NH2+]1	ZINC001329070515	807514793	/nfs/dbraw/zinc/51/47/93/807514793.db2.gz	RKOZXWBMBRYDPD-VHSXEESVSA-N	1	0	324.341	-0.836	20	5		DBBDRO
C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[NH2+]1	ZINC001329070513	807514834	/nfs/dbraw/zinc/51/48/34/807514834.db2.gz	RKOZXWBMBRYDPD-NXEZZACHSA-N	1	0	324.341	-0.836	20	5		DBBDRO
C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC001329191697	807536294	/nfs/dbraw/zinc/53/62/94/807536294.db2.gz	OLPWILPJJNIODK-HTQZYQBOSA-N	1	0	303.344	-0.314	20	5		DBBDRO
[NH3+]C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1	ZINC001329413547	807561624	/nfs/dbraw/zinc/56/16/24/807561624.db2.gz	HAKFZNZCCFOPTN-QMMMGPOBSA-N	1	0	302.312	-0.662	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC001331280265	807786278	/nfs/dbraw/zinc/78/62/78/807786278.db2.gz	RAHUDFXVVGUXBT-CYBMUJFWSA-N	1	0	323.353	-0.151	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1	ZINC000932185452	807960350	/nfs/dbraw/zinc/96/03/50/807960350.db2.gz	CGPSMLOXDGWANP-LLVKDONJSA-N	1	0	324.385	-0.148	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2ccncc2)c1	ZINC001336729097	808413172	/nfs/dbraw/zinc/41/31/72/808413172.db2.gz	XYQGTFLHOJAQCZ-STQMWFEESA-N	1	0	307.310	-0.130	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C	ZINC001337326495	808448326	/nfs/dbraw/zinc/44/83/26/808448326.db2.gz	FUXPGEIGHKFVKH-SNVBAGLBSA-N	1	0	310.358	-0.306	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]C[C@H]1CO)c1ccccc1[N+](=O)[O-]	ZINC001342438165	808730229	/nfs/dbraw/zinc/73/02/29/808730229.db2.gz	GCNXIOINHUXKJU-NSHDSACASA-N	1	0	308.338	-0.176	20	5		DBBDRO
C[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC001011114347	812845950	/nfs/dbraw/zinc/84/59/50/812845950.db2.gz	LEYYFLRFGPAGHW-CHWSQXEVSA-N	1	0	324.381	-0.336	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCCC1	ZINC001020138854	814311741	/nfs/dbraw/zinc/31/17/41/814311741.db2.gz	DYVRRWQEGMYMPI-FDYHWXHSSA-N	1	0	324.381	-0.099	20	5		DBBDRO
COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001020139036	814311817	/nfs/dbraw/zinc/31/18/17/814311817.db2.gz	NVBKAIMJPLAADE-DDHJBXDOSA-N	1	0	321.337	-0.113	20	5		DBBDRO
CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001050517044	817724617	/nfs/dbraw/zinc/72/46/17/817724617.db2.gz	NNBYQKXFSMBAOG-GHMZBOCLSA-N	1	0	310.354	-0.678	20	5		DBBDRO
CCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086083040	825175094	/nfs/dbraw/zinc/17/50/94/825175094.db2.gz	LJKRGZNVXHVEAI-WRWGMCAJSA-N	1	0	322.369	-0.052	20	5		DBBDRO
O=C(NCc1nc(C[NH2+]CC2CC2)cc(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001087256673	825322399	/nfs/dbraw/zinc/32/23/99/825322399.db2.gz	FKJCRYNBOCIRAA-GHMZBOCLSA-N	1	0	321.337	-0.037	20	5		DBBDRO
C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC001097252354	826415630	/nfs/dbraw/zinc/41/56/30/826415630.db2.gz	WYXUXDQSORRIKB-DTORHVGOSA-N	1	0	323.357	-0.022	20	5		DBBDRO
Cn1cncc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001161914211	833064238	/nfs/dbraw/zinc/06/42/38/833064238.db2.gz	WPXNPPINZMEWBH-UHFFFAOYSA-N	1	0	321.341	-0.029	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@]12C[NH2+]C[C@H]1COC2	ZINC001163148050	833135381	/nfs/dbraw/zinc/13/53/81/833135381.db2.gz	ZRTDSAVQKYKVCN-SDBXPKJASA-N	1	0	307.310	-0.263	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])N1	ZINC001163243788	833142042	/nfs/dbraw/zinc/14/20/42/833142042.db2.gz	XEGZWOKFXGNGHH-SDBXPKJASA-N	1	0	319.325	-0.938	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001163255256	833143600	/nfs/dbraw/zinc/14/36/00/833143600.db2.gz	UUFOBGAVTPJQAS-NOZJJQNGSA-N	1	0	321.293	-0.234	20	5		DBBDRO
CN(c1ncnc2[nH]cc([N+](=O)[O-])c21)S(=O)(=O)CC[NH3+]	ZINC001164287046	833200944	/nfs/dbraw/zinc/20/09/44/833200944.db2.gz	HYFGBBFYVXRQBJ-UHFFFAOYSA-N	1	0	300.300	-0.409	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])cc1N(C)S(=O)(=O)CC[NH3+]	ZINC001164300743	833204575	/nfs/dbraw/zinc/20/45/75/833204575.db2.gz	XEMQPQVPDKMGPQ-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
O=c1[nH][nH]cc1CCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001164373705	833207005	/nfs/dbraw/zinc/20/70/05/833207005.db2.gz	ARWVSSMLKDQKBB-MRVPVSSYSA-N	1	0	319.325	-0.005	20	5		DBBDRO
Cn1ncnc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001164490547	833213676	/nfs/dbraw/zinc/21/36/76/833213676.db2.gz	MACLQQKVMZVNHO-GHMZBOCLSA-N	1	0	322.369	-0.144	20	5		DBBDRO
COC(=O)c1cnc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c([N+](=O)[O-])c1	ZINC001165283595	833235713	/nfs/dbraw/zinc/23/57/13/833235713.db2.gz	CYEHVICZKGLLOA-YGRLFVJLSA-N	1	0	322.321	-0.206	20	5		DBBDRO
O=C1NCCN(c2ncnc3cc([N+](=O)[O-])ccc32)C12C[NH2+]C2	ZINC001165298305	833237958	/nfs/dbraw/zinc/23/79/58/833237958.db2.gz	NGVVPZKWLAIEQF-UHFFFAOYSA-N	1	0	314.305	-0.184	20	5		DBBDRO
[NH3+]CCc1nccn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001166299750	833267934	/nfs/dbraw/zinc/26/79/34/833267934.db2.gz	PZMRNHSXJLOCTD-UHFFFAOYSA-N	1	0	319.325	-0.092	20	5		DBBDRO
CS(=O)(=O)c1ccc(-n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1	ZINC001167793042	833310383	/nfs/dbraw/zinc/31/03/83/833310383.db2.gz	TVWIICMVVFSCCC-UHFFFAOYSA-N	1	0	312.311	-0.525	20	5		DBBDRO
COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168972572	833332089	/nfs/dbraw/zinc/33/20/89/833332089.db2.gz	NKYIJDAWJZCWJG-MXWKQRLJSA-N	1	0	315.374	-0.174	20	5		DBBDRO
O=C1C=CC(=O)N1CCOCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168997462	833332513	/nfs/dbraw/zinc/33/25/13/833332513.db2.gz	ZPKCPQHHLMLKNU-NWDGAFQWSA-N	1	0	311.338	-0.037	20	5		DBBDRO
CCOC(=O)COc1ncc(-n2nncc2C[NH3+])cc1[N+](=O)[O-]	ZINC001169309378	833338264	/nfs/dbraw/zinc/33/82/64/833338264.db2.gz	CJQDRWQUANCZGO-UHFFFAOYSA-N	1	0	322.281	-0.029	20	5		DBBDRO
CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])c2nncn2c1	ZINC001170995569	833363885	/nfs/dbraw/zinc/36/38/85/833363885.db2.gz	QNWMPAZZZUSSEJ-UHFFFAOYSA-N	1	0	308.298	-0.034	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1	ZINC001118738121	829127604	/nfs/dbraw/zinc/12/76/04/829127604.db2.gz	QYTVCCZLWXNAOG-NSHDSACASA-N	1	0	323.353	-0.001	20	5		DBBDRO
NC(=O)C([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O	ZINC001172900713	833376915	/nfs/dbraw/zinc/37/69/15/833376915.db2.gz	YPESDRAOYALNNG-SNVBAGLBSA-N	1	0	306.322	-0.229	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cn1cncn1	ZINC001175464554	833390490	/nfs/dbraw/zinc/39/04/90/833390490.db2.gz	FLRCNNKXQBHGCD-UHFFFAOYSA-N	1	0	322.329	-0.784	20	5		DBBDRO
CS(=O)(=O)NC[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001175954955	833398196	/nfs/dbraw/zinc/39/81/96/833398196.db2.gz	GIKSPACHLYVDTF-JTQLQIEISA-N	1	0	317.371	-0.338	20	5		DBBDRO
O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936416	829970131	/nfs/dbraw/zinc/97/01/31/829970131.db2.gz	GQCKBFSPJYJGEJ-GHMZBOCLSA-N	1	0	319.383	-0.818	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCCC1	ZINC001126936814	829971549	/nfs/dbraw/zinc/97/15/49/829971549.db2.gz	SDIPFXAYSGKWPV-VXGBXAGGSA-N	1	0	312.370	-0.240	20	5		DBBDRO
CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936648	829971752	/nfs/dbraw/zinc/97/17/52/829971752.db2.gz	OKTBHJYUKHRVDV-NXEZZACHSA-N	1	0	301.347	-0.935	20	5		DBBDRO
C[NH+]1CCC(O)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1	ZINC001136991005	831167624	/nfs/dbraw/zinc/16/76/24/831167624.db2.gz	DPGAZZKQPIYLOX-UHFFFAOYSA-N	1	0	324.337	-0.671	20	5		DBBDRO
COc1nc(C)c([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1	ZINC001154770178	831898880	/nfs/dbraw/zinc/89/88/80/831898880.db2.gz	DDXGYVJPPPWXIC-UHFFFAOYSA-N	1	0	305.316	-0.573	20	5		DBBDRO
O=[N+]([O-])c1c(NCc2ncon2)ncnc1N1CC[NH2+]CC1	ZINC001154894140	831905245	/nfs/dbraw/zinc/90/52/45/831905245.db2.gz	VRVGCMHIXBISGA-UHFFFAOYSA-N	1	0	306.286	-0.211	20	5		DBBDRO
CN1CCO[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1	ZINC001155201476	831920737	/nfs/dbraw/zinc/92/07/37/831920737.db2.gz	FKCITPFEODXHCY-JTQLQIEISA-N	1	0	308.342	-0.186	20	5		DBBDRO
CN1CCO[C@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1	ZINC001155201477	831920886	/nfs/dbraw/zinc/92/08/86/831920886.db2.gz	FKCITPFEODXHCY-SNVBAGLBSA-N	1	0	308.342	-0.186	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001155569040	831939216	/nfs/dbraw/zinc/93/92/16/831939216.db2.gz	DLZZOSBCZDKBCB-NOZJJQNGSA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001155569043	831939414	/nfs/dbraw/zinc/93/94/14/831939414.db2.gz	DLZZOSBCZDKBCB-ZANVPECISA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)c1ccnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001155576215	831940757	/nfs/dbraw/zinc/94/07/57/831940757.db2.gz	PDDNUWAHAWGRFL-SDBXPKJASA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)c1ccnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001155576212	831940916	/nfs/dbraw/zinc/94/09/16/831940916.db2.gz	PDDNUWAHAWGRFL-OQPBUACISA-N	1	0	321.293	-0.234	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)n1	ZINC001156295609	831978285	/nfs/dbraw/zinc/97/82/85/831978285.db2.gz	ULVWEHUMDARGSI-UHFFFAOYSA-N	1	0	322.369	-0.117	20	5		DBBDRO
CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001157775341	832063517	/nfs/dbraw/zinc/06/35/17/832063517.db2.gz	PGIJIZIIDSPOQX-VXGBXAGGSA-N	1	0	312.370	-0.242	20	5		DBBDRO
COCCOC1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1	ZINC001158978693	832148593	/nfs/dbraw/zinc/14/85/93/832148593.db2.gz	KFKCEPGEMJMYRD-UHFFFAOYSA-N	1	0	309.326	-0.077	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+]1CCCO	ZINC001159092300	832156349	/nfs/dbraw/zinc/15/63/49/832156349.db2.gz	XEOBPKQKFCNKJT-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCN(CCO)C(=O)C1CC1	ZINC001272090891	832741389	/nfs/dbraw/zinc/74/13/89/832741389.db2.gz	JULLTPBPFCZENZ-UHFFFAOYSA-N	1	0	311.342	-0.351	20	5		DBBDRO
Nc1cc(NCCN(CC[NH3+])N(O)N=O)ncc1[N+](=O)[O-]	ZINC001161092509	832975512	/nfs/dbraw/zinc/97/55/12/832975512.db2.gz	SBHFNWMEPAQLPZ-UHFFFAOYSA-N	1	0	300.279	-0.468	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCOCCO)CC1	ZINC001195761934	834722997	/nfs/dbraw/zinc/72/29/97/834722997.db2.gz	SLQLORKBXLMFNF-VXGBXAGGSA-N	1	0	301.343	-0.805	20	5		DBBDRO
C[C@H]([NH3+])CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC001261382322	834780326	/nfs/dbraw/zinc/78/03/26/834780326.db2.gz	HQOLBCAKOBYLEQ-VIFPVBQESA-N	1	0	306.322	-0.057	20	5		DBBDRO
Cn1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]2[NH3+])cn1	ZINC001261425624	834784370	/nfs/dbraw/zinc/78/43/70/834784370.db2.gz	FZNQXPUNIZUBKJ-DTWKUNHWSA-N	1	0	305.298	-0.382	20	5		DBBDRO
Cn1cc([C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1	ZINC001261425915	834784484	/nfs/dbraw/zinc/78/44/84/834784484.db2.gz	RXXAZBSNWSUYOU-DTWKUNHWSA-N	1	0	305.298	-0.382	20	5		DBBDRO
O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCC1	ZINC001265476918	835146038	/nfs/dbraw/zinc/14/60/38/835146038.db2.gz	UYNKHUKDPGWABM-FDYHWXHSSA-N	1	0	324.381	-0.195	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccnn1C	ZINC001266654949	835354092	/nfs/dbraw/zinc/35/40/92/835354092.db2.gz	OUYODKOIUNXMNI-UHFFFAOYSA-N	1	0	321.341	-0.076	20	5		DBBDRO
Cn1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)nn1	ZINC001267837503	835604773	/nfs/dbraw/zinc/60/47/73/835604773.db2.gz	IOZAYWLGPUPQQI-VXGBXAGGSA-N	1	0	322.369	-0.001	20	5		DBBDRO
O=C(CO[C@@H]1C[NH+]2CCC1CC2)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224795578	979582974	/nfs/dbraw/zinc/58/29/74/979582974.db2.gz	BYOKZZXOSYOPFK-SNVBAGLBSA-N	1	0	314.298	-0.811	20	5		DBBDRO
C[N@@H+]1CCC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1	ZINC001224797356	979583608	/nfs/dbraw/zinc/58/36/08/979583608.db2.gz	ODPDGLNNOJQEKK-JTQLQIEISA-N	1	0	316.314	-0.421	20	5		DBBDRO
O=C(CO[C@H]1C[NH+]2CCC1CC2)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224795577	979584256	/nfs/dbraw/zinc/58/42/56/979584256.db2.gz	BYOKZZXOSYOPFK-JTQLQIEISA-N	1	0	314.298	-0.811	20	5		DBBDRO
CC[N@@H+]1CCC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224798811	979585941	/nfs/dbraw/zinc/58/59/41/979585941.db2.gz	CXVUNPJXTZHTTP-SNVBAGLBSA-N	1	0	316.314	-0.421	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c1	ZINC001331972060	979900199	/nfs/dbraw/zinc/90/01/99/979900199.db2.gz	PKKJFUQTACQIFY-MWLCHTKSSA-N	1	0	322.329	-0.867	20	5		DBBDRO
CCC[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001348220911	980270988	/nfs/dbraw/zinc/27/09/88/980270988.db2.gz	NOBHQAKKHISVET-VXGBXAGGSA-N	1	0	312.370	-0.336	20	5		DBBDRO
Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC001348953619	980392752	/nfs/dbraw/zinc/39/27/52/980392752.db2.gz	UTIQODMIEZFJQE-JQWIXIFHSA-N	1	0	321.341	-0.343	20	5		DBBDRO
O=C(Cn1cnc2sc([N+](=O)[O-])cc2c1=O)N1CC[NH2+]CC1	ZINC001349114825	980412797	/nfs/dbraw/zinc/41/27/97/980412797.db2.gz	VFBIHUDLJRXDQK-UHFFFAOYSA-N	1	0	323.334	-0.202	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC001349130926	980413926	/nfs/dbraw/zinc/41/39/26/980413926.db2.gz	HKMRWXZXFUMPEQ-SNVBAGLBSA-N	1	0	308.342	-0.552	20	5		DBBDRO
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCC[NH+](C)C	ZINC001355592063	980901443	/nfs/dbraw/zinc/90/14/43/980901443.db2.gz	OBQLCRSJCCVCPF-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
CN1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC001356533626	980955100	/nfs/dbraw/zinc/95/51/00/980955100.db2.gz	RWQSOWBCWPANHR-CMPLNLGQSA-N	1	0	311.342	-0.390	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC001357561330	981070460	/nfs/dbraw/zinc/07/04/60/981070460.db2.gz	UUQCLRGIPSLLDH-GFCCVEGCSA-N	1	0	322.369	-0.142	20	5		DBBDRO
CCCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001490889803	1015148973	/nfs/dbraw/zinc/14/89/73/1015148973.db2.gz	YCUXYNHKBRIGPK-DDHJBXDOSA-N	1	0	312.370	-0.195	20	5		DBBDRO
C[C@@H]1C[N@H+](CCO)CCN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC001460231220	1009081408	/nfs/dbraw/zinc/08/14/08/1009081408.db2.gz	ANQKLIZNMUZNBB-GFCCVEGCSA-N	1	0	310.354	-0.245	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(O)(C[NH+](C)C)CC1	ZINC001470694531	1009778305	/nfs/dbraw/zinc/77/83/05/1009778305.db2.gz	SISBVYXBTJPJEZ-UHFFFAOYSA-N	1	0	311.342	-0.143	20	5		DBBDRO
CN(CC[N@H+](C)CCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001482596411	1011205629	/nfs/dbraw/zinc/20/56/29/1011205629.db2.gz	QGDNTZZTRXIRPR-VXGBXAGGSA-N	1	0	312.370	-0.336	20	5		DBBDRO
O=C(NCC1([NH2+]CCCO)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001500571356	1018352839	/nfs/dbraw/zinc/35/28/39/1018352839.db2.gz	YOMMELPKSLHDHV-GHMZBOCLSA-N	1	0	301.343	-0.711	20	5		DBBDRO
CC[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001505396657	1019285246	/nfs/dbraw/zinc/28/52/46/1019285246.db2.gz	LJRINRIFZNASCJ-VXGBXAGGSA-N	1	0	312.370	-0.303	20	5		DBBDRO
CN(C(=O)CN1C[C@H](O)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1	ZINC001618438609	1019794930	/nfs/dbraw/zinc/79/49/30/1019794930.db2.gz	MKMDGEWWNNKAHJ-GWCFXTLKSA-N	1	0	309.322	-0.157	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001506296194	1019820370	/nfs/dbraw/zinc/82/03/70/1019820370.db2.gz	VYHAGNYXPRRWCH-VXGBXAGGSA-N	1	0	312.370	-0.339	20	5		DBBDRO
CN(CC(=O)NC[C@]1(O)CC[NH2+]C1)c1ccccc1[N+](=O)[O-]	ZINC001578437002	1020239142	/nfs/dbraw/zinc/23/91/42/1020239142.db2.gz	ZCHBKUBTMFACHH-AWEZNQCLSA-N	1	0	308.338	-0.128	20	5		DBBDRO
Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[NH2+]C2)cc1[N+](=O)[O-]	ZINC001579731677	1020540328	/nfs/dbraw/zinc/54/03/28/1020540328.db2.gz	QJLHPRNAAIQQJD-LBPRGKRZSA-N	1	0	315.351	-0.094	20	5		DBBDRO
Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2O)cc1[N+](=O)[O-]	ZINC001579731715	1020541004	/nfs/dbraw/zinc/54/10/04/1020541004.db2.gz	SIVYCKXZSVTLQL-PWSUYJOCSA-N	1	0	315.351	-0.096	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)n1	ZINC001579969780	1020607785	/nfs/dbraw/zinc/60/77/85/1020607785.db2.gz	MPYJNWNAQQFLLP-NSHDSACASA-N	1	0	315.355	-0.155	20	5		DBBDRO
[NH3+]C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCO1	ZINC001580268112	1020677876	/nfs/dbraw/zinc/67/78/76/1020677876.db2.gz	AEGJXZNOSIFEOG-LLVKDONJSA-N	1	0	310.310	-0.667	20	5		DBBDRO
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CC[NH2+]1	ZINC001580548334	1020746986	/nfs/dbraw/zinc/74/69/86/1020746986.db2.gz	XXJCDKVENTWSBU-MRVPVSSYSA-N	1	0	318.289	-0.331	20	5		DBBDRO
O=C(N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccc([N+](=O)[O-])s1	ZINC001580599285	1020758968	/nfs/dbraw/zinc/75/89/68/1020758968.db2.gz	VESJYXJSYNMZIT-SSDOTTSWSA-N	1	0	310.335	-0.041	20	5		DBBDRO
Nc1ncc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1[N+](=O)[O-]	ZINC001558549349	1023962286	/nfs/dbraw/zinc/96/22/86/1023962286.db2.gz	ARDRRVNCPVAYSL-VIFPVBQESA-N	1	0	307.310	-0.225	20	5		DBBDRO
C[C@H]1CN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CCO1	ZINC001559356486	1023982648	/nfs/dbraw/zinc/98/26/48/1023982648.db2.gz	LYZFRLYMHMJKGX-VIFPVBQESA-N	1	0	310.310	-0.424	20	5		DBBDRO
C[N@H+](CCO)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	ZINC001559278040	1023984011	/nfs/dbraw/zinc/98/40/11/1023984011.db2.gz	LPQQXOUUXGQEPT-UHFFFAOYSA-N	1	0	318.355	-0.422	20	5		DBBDRO
COC1(OC)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O	ZINC001560103117	1024002162	/nfs/dbraw/zinc/00/21/62/1024002162.db2.gz	HETJRDUSLOZSGL-JTQLQIEISA-N	1	0	300.315	-0.153	20	5		DBBDRO
Cn1cnnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1	ZINC001567998605	1024858487	/nfs/dbraw/zinc/85/84/87/1024858487.db2.gz	RPCMQAHBADAHNB-GHMZBOCLSA-N	1	0	322.369	-0.001	20	5		DBBDRO
CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1	ZINC001568235771	1024882839	/nfs/dbraw/zinc/88/28/39/1024882839.db2.gz	WBKXRSALJSKFGQ-GHMZBOCLSA-N	1	0	312.370	-0.194	20	5		DBBDRO
O=C(CNC(=O)c1[nH]ncc1[N+](=O)[O-])NCC[NH+]1CCCCC1	ZINC001569057201	1025126288	/nfs/dbraw/zinc/12/62/88/1025126288.db2.gz	IEBVGFMZORBHLQ-UHFFFAOYSA-N	1	0	324.341	-0.350	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](CO)C[NH+]1CCCC1	ZINC001569932632	1025420080	/nfs/dbraw/zinc/42/00/80/1025420080.db2.gz	WWZRUHFBBDOCTE-NSHDSACASA-N	1	0	311.342	-0.327	20	5		DBBDRO
C[C@H](CN1CCOCC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-]	ZINC000547731169	412520416	/nfs/dbraw/zinc/52/04/16/412520416.db2.gz	JPQDFPFKLONKEH-SECBINFHSA-N	1	0	309.326	0.023	20	5		DBBDRO
NS(=O)(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000341172816	138105722	/nfs/dbraw/zinc/10/57/22/138105722.db2.gz	DHVHBLKGDZKVGG-UHFFFAOYSA-N	1	0	317.371	-0.208	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])n1	ZINC000447245646	238323023	/nfs/dbraw/zinc/32/30/23/238323023.db2.gz	MYSZNUIUTGZTAB-QMMMGPOBSA-N	1	0	303.344	-0.173	20	5		DBBDRO
CN(C)C[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000563137898	284025980	/nfs/dbraw/zinc/02/59/80/284025980.db2.gz	KKSMEOGNEHNTFH-VXGBXAGGSA-N	1	0	313.354	-0.153	20	5		DBBDRO
CN(C)C[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000563137895	284026035	/nfs/dbraw/zinc/02/60/35/284026035.db2.gz	KKSMEOGNEHNTFH-NEPJUHHUSA-N	1	0	313.354	-0.153	20	5		DBBDRO
Nc1c(C(=O)NCC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-]	ZINC000563106478	284023867	/nfs/dbraw/zinc/02/38/67/284023867.db2.gz	TUGMZXIZGTVERM-UHFFFAOYSA-N	1	0	307.310	-0.661	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C[NH3+])C1	ZINC000563212551	284029177	/nfs/dbraw/zinc/02/91/77/284029177.db2.gz	YTTQRUGAGSFDEA-QMMMGPOBSA-N	1	0	320.396	-0.080	20	5		DBBDRO
CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000578186875	374321398	/nfs/dbraw/zinc/32/13/98/374321398.db2.gz	FIEYYTYXEHEAJW-PWSUYJOCSA-N	1	0	311.342	-0.247	20	5		DBBDRO
COCC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000609268825	374356572	/nfs/dbraw/zinc/35/65/72/374356572.db2.gz	DMAHIGHFJHLRKU-JTQLQIEISA-N	1	0	312.330	-0.587	20	5		DBBDRO
C[N@@H+]1CCCN(CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000609624189	374369878	/nfs/dbraw/zinc/36/98/78/374369878.db2.gz	KEEKXXUIBGLUGG-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
C[N@@H+]1CCCN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000609620145	374369910	/nfs/dbraw/zinc/36/99/10/374369910.db2.gz	ADJJHHCYJIARKW-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1	ZINC000120785918	374418147	/nfs/dbraw/zinc/41/81/47/374418147.db2.gz	QWUGRFMZDXCPOP-SNVBAGLBSA-N	1	0	314.367	-0.142	20	5		DBBDRO
C[C@@](O)(CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000578867848	374467458	/nfs/dbraw/zinc/46/74/58/374467458.db2.gz	FYOKHJXNWXFKNU-LBPRGKRZSA-N	1	0	318.351	-0.299	20	5		DBBDRO
C[C@@H](O)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000579123921	374499784	/nfs/dbraw/zinc/49/97/84/374499784.db2.gz	ZQMWNOJXUXKGGQ-BXKDBHETSA-N	1	0	318.351	-0.300	20	5		DBBDRO
C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)CN1CCOCC1	ZINC000083244548	374545829	/nfs/dbraw/zinc/54/58/29/374545829.db2.gz	AVHXDHGKYHDGGH-CYBMUJFWSA-N	1	0	313.358	-0.584	20	5		DBBDRO
C[NH2+]CCCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000579572800	374579055	/nfs/dbraw/zinc/57/90/55/374579055.db2.gz	IAKWNXQRKFTPTO-UHFFFAOYSA-N	1	0	324.337	-0.185	20	5		DBBDRO
Cn1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000579853098	374612911	/nfs/dbraw/zinc/61/29/11/374612911.db2.gz	CCDGCGQTSAWZCW-IUCAKERBSA-N	1	0	307.310	-0.683	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000360765658	374680958	/nfs/dbraw/zinc/68/09/58/374680958.db2.gz	QAZIIUODYPYYBB-SNVBAGLBSA-N	1	0	311.342	-0.095	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@](C)(O)C[NH+](C)C	ZINC000337470282	374729732	/nfs/dbraw/zinc/72/97/32/374729732.db2.gz	UZOFIIYEMIIPAO-CYBMUJFWSA-N	1	0	313.358	-0.081	20	5		DBBDRO
CC1(C)CN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC000337604647	374738928	/nfs/dbraw/zinc/73/89/28/374738928.db2.gz	UNCVISJASJKMGL-UHFFFAOYSA-N	1	0	312.330	-0.587	20	5		DBBDRO
Cc1nn(C)c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-]	ZINC000588869262	374768625	/nfs/dbraw/zinc/76/86/25/374768625.db2.gz	JUZRZLTXNJROOF-SNVBAGLBSA-N	1	0	311.342	-0.177	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588861938	374769328	/nfs/dbraw/zinc/76/93/28/374769328.db2.gz	ZMLLHYPWHATPIV-JQWIXIFHSA-N	1	0	309.326	-0.541	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588860537	374769412	/nfs/dbraw/zinc/76/94/12/374769412.db2.gz	GYXFFCSYGXDESN-MNOVXSKESA-N	1	0	309.326	-0.541	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](CO)C[NH+]1CCCC1	ZINC000588869921	374769479	/nfs/dbraw/zinc/76/94/79/374769479.db2.gz	QLSHKQPWFYRHKZ-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
C[NH2+]CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262646698	374892263	/nfs/dbraw/zinc/89/22/63/374892263.db2.gz	SIIGCYFBSZVTAF-UHFFFAOYSA-N	1	0	316.339	-0.791	20	5		DBBDRO
COCC[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000320833974	374916033	/nfs/dbraw/zinc/91/60/33/374916033.db2.gz	UVJIQMHWHBRQPD-UHFFFAOYSA-N	1	0	323.353	-0.126	20	5		DBBDRO
[NH3+]CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000263061385	374902706	/nfs/dbraw/zinc/90/27/06/374902706.db2.gz	VKGSUMJKVSJZFK-UHFFFAOYSA-N	1	0	314.367	-0.140	20	5		DBBDRO
COCC[C@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000573192641	375147609	/nfs/dbraw/zinc/14/76/09/375147609.db2.gz	ZRYOXEUEWTXMSL-STQMWFEESA-N	1	0	314.342	-0.063	20	5		DBBDRO
Cn1c(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)ccc1[N+](=O)[O-]	ZINC000580071854	375428917	/nfs/dbraw/zinc/42/89/17/375428917.db2.gz	CGASFLURHQYNKT-UHFFFAOYSA-N	1	0	320.313	-0.287	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC000264549938	375534012	/nfs/dbraw/zinc/53/40/12/375534012.db2.gz	CMLZMUCTDYAAPE-QMMMGPOBSA-N	1	0	309.330	-0.281	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](N2CCNCC2=O)C1	ZINC000566206938	375536179	/nfs/dbraw/zinc/53/61/79/375536179.db2.gz	HAAZVXVTRXBZPQ-SECBINFHSA-N	1	0	322.325	-0.646	20	5		DBBDRO
C[NH+](C)C[C@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000590369358	375528262	/nfs/dbraw/zinc/52/82/62/375528262.db2.gz	CWZQUUFXKFIOGV-LLVKDONJSA-N	1	0	324.337	-0.637	20	5		DBBDRO
Cc1c(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-]	ZINC000566808692	375650005	/nfs/dbraw/zinc/65/00/05/375650005.db2.gz	XEHGQCYLXBEVQR-NSHDSACASA-N	1	0	306.322	-0.002	20	5		DBBDRO
COC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592430695	375805660	/nfs/dbraw/zinc/80/56/60/375805660.db2.gz	BTFDEFNZLMGODP-GHMZBOCLSA-N	1	0	300.311	-0.069	20	5		DBBDRO
CSC[C@@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000592431126	375805877	/nfs/dbraw/zinc/80/58/77/375805877.db2.gz	NOICMPGECGTDSC-MWLCHTKSSA-N	1	0	304.372	-0.144	20	5		DBBDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000592476993	375807356	/nfs/dbraw/zinc/80/73/56/375807356.db2.gz	LUENHPLPQHSEHF-MWLCHTKSSA-N	1	0	310.310	-0.669	20	5		DBBDRO
Cc1nn(C)c(N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-]	ZINC000593486094	375865419	/nfs/dbraw/zinc/86/54/19/375865419.db2.gz	KAMHRAMEZRHYMM-UHFFFAOYSA-N	1	0	310.358	-0.153	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593566772	375869751	/nfs/dbraw/zinc/86/97/51/375869751.db2.gz	OJSGRCVQAKPUFQ-NSHDSACASA-N	1	0	318.355	-0.419	20	5		DBBDRO
[NH3+]C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)(F)F	ZINC000594451275	375930147	/nfs/dbraw/zinc/93/01/47/375930147.db2.gz	HSTPZWUSAGFOML-ZETCQYMHSA-N	1	0	308.216	-0.238	20	5		DBBDRO
Nc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(CO)c1[N+](=O)[O-]	ZINC000594603983	375937745	/nfs/dbraw/zinc/93/77/45/375937745.db2.gz	QILYHNHJZXXAKL-NWDGAFQWSA-N	1	0	308.338	-0.076	20	5		DBBDRO
CO[C@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000595662159	376028258	/nfs/dbraw/zinc/02/82/58/376028258.db2.gz	NHWHNXAFZNNPKT-CHWSQXEVSA-N	1	0	314.342	-0.375	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COCCO1	ZINC000595738482	376030264	/nfs/dbraw/zinc/03/02/64/376030264.db2.gz	JDILLBIXDWNDDG-NEPJUHHUSA-N	1	0	300.315	-0.501	20	5		DBBDRO
[NH3+]CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CO	ZINC000595900772	376045534	/nfs/dbraw/zinc/04/55/34/376045534.db2.gz	KWBYVWFMWGKBBN-SNVBAGLBSA-N	1	0	312.326	-0.853	20	5		DBBDRO
Cn1c(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)ccc1[N+](=O)[O-]	ZINC000595946116	376057946	/nfs/dbraw/zinc/05/79/46/376057946.db2.gz	AIFKIFCLYSZPNC-UHFFFAOYSA-N	1	0	306.282	-0.182	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000597652460	376159996	/nfs/dbraw/zinc/15/99/96/376159996.db2.gz	CEYCECFOJVUNSJ-QMMMGPOBSA-N	1	0	311.294	-0.024	20	5		DBBDRO
CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599098721	376242908	/nfs/dbraw/zinc/24/29/08/376242908.db2.gz	YVHNEQHOPSEEAN-MRVPVSSYSA-N	1	0	305.360	-0.020	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)n1	ZINC000599100753	376243034	/nfs/dbraw/zinc/24/30/34/376243034.db2.gz	MXVMNQFZYYKMEM-KCJUWKMLSA-N	1	0	315.355	-0.170	20	5		DBBDRO
C[NH2+]CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000599106240	376244361	/nfs/dbraw/zinc/24/43/61/376244361.db2.gz	COINVWNEGHPLAA-UHFFFAOYSA-N	1	0	304.328	-0.496	20	5		DBBDRO
C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C[NH3+]	ZINC000599103611	376245105	/nfs/dbraw/zinc/24/51/05/376245105.db2.gz	XKEAPIKDKAZYMJ-IUCAKERBSA-N	1	0	317.371	-0.066	20	5		DBBDRO
C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C[NH3+]	ZINC000599103606	376245282	/nfs/dbraw/zinc/24/52/82/376245282.db2.gz	XKEAPIKDKAZYMJ-BDAKNGLRSA-N	1	0	317.371	-0.066	20	5		DBBDRO
CCn1cc(S(=O)(=O)N(C)CCOCC[NH3+])c([N+](=O)[O-])n1	ZINC000599110489	376247674	/nfs/dbraw/zinc/24/76/74/376247674.db2.gz	UIZVHDVKNOYUSX-UHFFFAOYSA-N	1	0	321.359	-0.593	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[NH2+]CCC1(F)F	ZINC000567900023	376334567	/nfs/dbraw/zinc/33/45/67/376334567.db2.gz	HMLPKKDTBBGYHD-VIFPVBQESA-N	1	0	316.264	-0.130	20	5		DBBDRO
CN(CCOCC[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000599920227	376345442	/nfs/dbraw/zinc/34/54/42/376345442.db2.gz	INELFUSKFVJVDE-UHFFFAOYSA-N	1	0	300.319	-0.592	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CO)COC2)c1	ZINC000569723809	376689234	/nfs/dbraw/zinc/68/92/34/376689234.db2.gz	NUBBZYXXVILNNL-GFCCVEGCSA-N	1	0	312.322	-0.067	20	5		DBBDRO
NC(=O)CC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000569715857	376690583	/nfs/dbraw/zinc/69/05/83/376690583.db2.gz	RTEQEGGRJJDPGP-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
[NH3+]CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000262486635	376962319	/nfs/dbraw/zinc/96/23/19/376962319.db2.gz	ZYBQOEFOOOMGGN-UHFFFAOYSA-N	1	0	308.294	-0.215	20	5		DBBDRO
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[NH2+]C1	ZINC000262511673	376993802	/nfs/dbraw/zinc/99/38/02/376993802.db2.gz	NKZKCQOQKYVXFQ-VIFPVBQESA-N	1	0	320.305	-0.202	20	5		DBBDRO
CN(C)c1ncc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1C	ZINC000573713490	377112082	/nfs/dbraw/zinc/11/20/82/377112082.db2.gz	VJGCRIUUPJTEAE-LBPRGKRZSA-N	1	0	323.357	-0.259	20	5		DBBDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1OC	ZINC000573795889	377143690	/nfs/dbraw/zinc/14/36/90/377143690.db2.gz	SJSXBBSHYBDZOH-RVMXOQNASA-N	1	0	314.342	-0.066	20	5		DBBDRO
C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000292202771	377175131	/nfs/dbraw/zinc/17/51/31/377175131.db2.gz	NWLGBRDLCQOKNT-SNVBAGLBSA-N	1	0	317.371	-0.243	20	5		DBBDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1c([N+](=O)[O-])cnn1C	ZINC000356502186	378059715	/nfs/dbraw/zinc/05/97/15/378059715.db2.gz	ADLYPTPDKBTEJX-UHFFFAOYSA-N	1	0	312.374	-0.058	20	5		DBBDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1	ZINC000356890502	378115199	/nfs/dbraw/zinc/11/51/99/378115199.db2.gz	DEILHVBZMBMIIN-NXEZZACHSA-N	1	0	312.330	-0.900	20	5		DBBDRO
CCn1nc(C)c([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000574414302	378155952	/nfs/dbraw/zinc/15/59/52/378155952.db2.gz	PCDYNXLVAPYRQM-UWVGGRQHSA-N	1	0	308.342	-0.132	20	5		DBBDRO
C[NH+]1CCN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000357644979	378353051	/nfs/dbraw/zinc/35/30/51/378353051.db2.gz	DWSBOAGVZZRTNG-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000358188810	378409615	/nfs/dbraw/zinc/40/96/15/378409615.db2.gz	CAYRMNZSIJXNRG-LBPRGKRZSA-N	1	0	315.351	-0.060	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000345554895	378429635	/nfs/dbraw/zinc/42/96/35/378429635.db2.gz	BUVJXIHQJZHIFU-WDEREUQCSA-N	1	0	309.326	-0.127	20	5		DBBDRO
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(CO)CO	ZINC000575427257	378630990	/nfs/dbraw/zinc/63/09/90/378630990.db2.gz	NZCZMIMULGPVGY-UHFFFAOYSA-N	1	0	313.310	-0.125	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1	ZINC000357505174	378950437	/nfs/dbraw/zinc/95/04/37/378950437.db2.gz	XBBUKOPLRXUIJI-UHFFFAOYSA-N	1	0	322.369	-0.061	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000269565635	379654163	/nfs/dbraw/zinc/65/41/63/379654163.db2.gz	GVIBQZBUIFVZDN-LBPRGKRZSA-N	1	0	311.342	-0.246	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1	ZINC000547282348	379775234	/nfs/dbraw/zinc/77/52/34/379775234.db2.gz	XLLTYGMTSRYZPU-NSHDSACASA-N	1	0	316.339	-0.665	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000162305379	380163261	/nfs/dbraw/zinc/16/32/61/380163261.db2.gz	GNWQDPRDSINYRG-NSHDSACASA-N	1	0	310.358	-0.409	20	5		DBBDRO
C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075714644	380367022	/nfs/dbraw/zinc/36/70/22/380367022.db2.gz	BJKMKCXSQHTEAF-FOGDFJRCSA-N	1	0	311.342	-0.262	20	5		DBBDRO
CC(C)(C)C(=O)NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000577097285	380543818	/nfs/dbraw/zinc/54/38/18/380543818.db2.gz	ASLHFWNVFHSEJA-NSHDSACASA-N	1	0	313.358	-0.096	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000042591900	380827817	/nfs/dbraw/zinc/82/78/17/380827817.db2.gz	BDZUVGBHNUQDMV-UHFFFAOYSA-N	1	0	310.358	-0.455	20	5		DBBDRO
COCCO[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000249427413	380838660	/nfs/dbraw/zinc/83/86/60/380838660.db2.gz	YLYYFCNVVZNOSV-OLZOCXBDSA-N	1	0	314.342	-0.111	20	5		DBBDRO
NC(=O)c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000405261470	382407488	/nfs/dbraw/zinc/40/74/88/382407488.db2.gz	JEOAYDURBDJWLD-QWHCGFSZSA-N	1	0	320.349	-0.056	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2CC[NH2+][C@H]2C1	ZINC000369340000	382524239	/nfs/dbraw/zinc/52/42/39/382524239.db2.gz	RTZJBZZWSAZWJB-JQWIXIFHSA-N	1	0	306.322	-0.033	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000619874091	382526081	/nfs/dbraw/zinc/52/60/81/382526081.db2.gz	YQMPVMUWWDGFFL-GFCCVEGCSA-N	1	0	322.369	-0.394	20	5		DBBDRO
O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000419889901	382503364	/nfs/dbraw/zinc/50/33/64/382503364.db2.gz	SNZOHDPSUVOLBB-GFCCVEGCSA-N	1	0	318.333	-0.042	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)s1	ZINC000420484975	382508612	/nfs/dbraw/zinc/50/86/12/382508612.db2.gz	YQIVXQSAQDSIEW-ZETCQYMHSA-N	1	0	307.353	-0.077	20	5		DBBDRO
CS[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C	ZINC000330647100	382596934	/nfs/dbraw/zinc/59/69/34/382596934.db2.gz	HABWTTNNVCDYLP-DTWKUNHWSA-N	1	0	314.371	-0.310	20	5		DBBDRO
C[N@@H+]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C	ZINC000281668725	382606703	/nfs/dbraw/zinc/60/67/03/382606703.db2.gz	DBSOYDQCWMGAII-UHFFFAOYSA-N	1	0	324.385	-0.067	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2cc[nH+]cc2)CC1	ZINC000604231846	382641579	/nfs/dbraw/zinc/64/15/79/382641579.db2.gz	HLLROUWZBRXTLL-UHFFFAOYSA-N	1	0	317.309	-0.070	20	5		DBBDRO
C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC000171135416	382647733	/nfs/dbraw/zinc/64/77/33/382647733.db2.gz	ISJLOJVAJQPXEX-NSHDSACASA-N	1	0	310.358	-0.457	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1	ZINC000602486924	382639347	/nfs/dbraw/zinc/63/93/47/382639347.db2.gz	RJBNEXTWZZEWFG-UHFFFAOYSA-N	1	0	324.385	-0.076	20	5		DBBDRO
O=C(CN1CC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000602501291	382639470	/nfs/dbraw/zinc/63/94/70/382639470.db2.gz	FOIDANDUPPTUBK-UHFFFAOYSA-N	1	0	322.369	-0.140	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)c1	ZINC000348767303	391998187	/nfs/dbraw/zinc/99/81/87/391998187.db2.gz	VZXHTUVSLYNUGQ-OLZOCXBDSA-N	1	0	311.342	-0.831	20	5		DBBDRO
C[C@H](C[NH3+])CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000418919646	392139759	/nfs/dbraw/zinc/13/97/59/392139759.db2.gz	GDAANOODSVFKIL-SNVBAGLBSA-N	1	0	308.338	-0.036	20	5		DBBDRO
C[C@H](C[NH3+])CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000418873028	392139947	/nfs/dbraw/zinc/13/99/47/392139947.db2.gz	SPIYZPHLYCKMEM-SNVBAGLBSA-N	1	0	308.338	-0.036	20	5		DBBDRO
Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-]	ZINC000423661726	392141992	/nfs/dbraw/zinc/14/19/92/392141992.db2.gz	CUVWRHKKPXLPNN-YABSGUDNSA-N	1	0	318.333	-0.033	20	5		DBBDRO
O=C(CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NC1CC1	ZINC000315993094	392145922	/nfs/dbraw/zinc/14/59/22/392145922.db2.gz	AJRBTZWUEXOYEM-GFCCVEGCSA-N	1	0	311.342	-0.199	20	5		DBBDRO
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000428981364	392148502	/nfs/dbraw/zinc/14/85/02/392148502.db2.gz	YUMSSQFBCLGTKZ-JTQLQIEISA-N	1	0	324.341	-0.895	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285480894	131172485	/nfs/dbraw/zinc/17/24/85/131172485.db2.gz	ONWREJFHMCVZFH-SECBINFHSA-N	1	0	310.314	-0.613	20	5		DBBDRO
COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1	ZINC000490052931	392475903	/nfs/dbraw/zinc/47/59/03/392475903.db2.gz	IPTSUACKVGQXLB-YPMHNXCESA-N	1	0	314.342	-0.111	20	5		DBBDRO
C[N@H+](CCN1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173643787	392624759	/nfs/dbraw/zinc/62/47/59/392624759.db2.gz	IESBKFAGSJMBCR-ZDUSSCGKSA-N	1	0	313.358	-0.584	20	5		DBBDRO
C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)CN1CCOCC1	ZINC000177354131	392655746	/nfs/dbraw/zinc/65/57/46/392655746.db2.gz	WYRAYCIFHKQAKM-LBPRGKRZSA-N	1	0	313.358	-0.584	20	5		DBBDRO
NC(=O)c1ccnc(NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-]	ZINC000357325831	412333809	/nfs/dbraw/zinc/33/38/09/412333809.db2.gz	DBJBFCDFWWHLIB-UHFFFAOYSA-N	1	0	323.353	0.347	20	5		DBBDRO
CNc1nccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-]	ZINC000565674833	412338975	/nfs/dbraw/zinc/33/89/75/412338975.db2.gz	MASKXTGUVXASAT-CYBMUJFWSA-N	1	0	311.342	0.074	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1	ZINC000573989822	412483701	/nfs/dbraw/zinc/48/37/01/412483701.db2.gz	NRTHLHZMZOKLOT-UHFFFAOYSA-N	1	0	322.369	-0.061	20	5		DBBDRO
CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000430270391	266002401	/nfs/dbraw/zinc/00/24/01/266002401.db2.gz	BOBYIMXMMZZHIA-DGCLKSJQSA-N	1	0	311.342	-0.390	20	5		DBBDRO
COC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1	ZINC000434797810	266057852	/nfs/dbraw/zinc/05/78/52/266057852.db2.gz	SYHIBWLGJXYUKX-FRRDWIJNSA-N	1	0	314.342	-0.064	20	5		DBBDRO
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C(CO)CO	ZINC000521063303	266324579	/nfs/dbraw/zinc/32/45/79/266324579.db2.gz	PMWOMIKTAGTKBS-UHFFFAOYSA-N	1	0	311.294	-0.164	20	5		DBBDRO
C[N@H+](CCN1CCCC1=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000525784814	266347607	/nfs/dbraw/zinc/34/76/07/266347607.db2.gz	SHCSVNFYBLRCEW-LBPRGKRZSA-N	1	0	311.342	-0.294	20	5		DBBDRO
[NH3+]CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)F	ZINC000570801801	332819114	/nfs/dbraw/zinc/81/91/14/332819114.db2.gz	BNDNWWCJBHQQEY-MRVPVSSYSA-N	1	0	304.253	-0.145	20	5		DBBDRO
O=C1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCCN12	ZINC000583435941	332405886	/nfs/dbraw/zinc/40/58/86/332405886.db2.gz	KTKRBOAPYJOGCH-KGYLQXTDSA-N	1	0	323.353	-0.105	20	5		DBBDRO
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000582665560	337118077	/nfs/dbraw/zinc/11/80/77/337118077.db2.gz	LCUMUBZINHFOIH-VIFPVBQESA-N	1	0	324.341	-0.222	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCO[C@@H]2CCOC2)c1	ZINC000576029958	341821192	/nfs/dbraw/zinc/82/11/92/341821192.db2.gz	HYSLVKGIVCOLDP-CHWSQXEVSA-N	1	0	314.342	-0.063	20	5		DBBDRO
C[NH2+]CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000580551744	341875633	/nfs/dbraw/zinc/87/56/33/341875633.db2.gz	ZYVIJSCHEZBSMA-UHFFFAOYSA-N	1	0	316.339	-0.791	20	5		DBBDRO
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000444703891	534325993	/nfs/dbraw/zinc/32/59/93/534325993.db2.gz	KIOJSBMSBJTURP-TXEJJXNPSA-N	1	0	323.305	-0.070	20	5		DBBDRO
CCCc1n[nH]c(C(=O)NCCN2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000236884433	521327478	/nfs/dbraw/zinc/32/74/78/521327478.db2.gz	SJXYJZGJLKYHEE-UHFFFAOYSA-N	1	0	310.358	-0.095	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000131599353	521886323	/nfs/dbraw/zinc/88/63/23/521886323.db2.gz	QVXITGCFBBFVTM-GFCCVEGCSA-N	1	0	314.346	-0.597	20	5		DBBDRO
NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248391542	526963048	/nfs/dbraw/zinc/96/30/48/526963048.db2.gz	DCGSGJAHPWZXAM-IJLUTSLNSA-N	1	0	311.342	-0.214	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000343649035	527086799	/nfs/dbraw/zinc/08/67/99/527086799.db2.gz	VWWUJHOUGSFEMV-LBPRGKRZSA-N	1	0	322.369	-0.394	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)n1	ZINC000332012869	527328098	/nfs/dbraw/zinc/32/80/98/527328098.db2.gz	RCCFPADMKAKNSQ-KOLCDFICSA-N	1	0	309.326	-0.127	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000158710681	527370613	/nfs/dbraw/zinc/37/06/13/527370613.db2.gz	FPEUCVKNMYDNOV-CQSZACIVSA-N	1	0	306.322	-0.032	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@@H]2CCO)c1	ZINC000347384674	527415357	/nfs/dbraw/zinc/41/53/57/527415357.db2.gz	WZDNTFSNOBYLHR-CMPLNLGQSA-N	1	0	316.383	-0.048	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1	ZINC000348767304	527415458	/nfs/dbraw/zinc/41/54/58/527415458.db2.gz	VZXHTUVSLYNUGQ-QWHCGFSZSA-N	1	0	311.342	-0.831	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000825856115	607738346	/nfs/dbraw/zinc/73/83/46/607738346.db2.gz	OFBYVAHZOFPDRS-GFCCVEGCSA-N	1	0	322.329	-0.106	20	5		DBBDRO
CNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1	ZINC000982278714	665937664	/nfs/dbraw/zinc/93/76/64/665937664.db2.gz	PFPPDBUVJNZAHG-FKGLVLAHSA-N	1	0	324.381	-0.432	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1	ZINC001020785508	663905291	/nfs/dbraw/zinc/90/52/91/663905291.db2.gz	FFLKZQYWRKKRRP-ZKCHVHJHSA-N	1	0	321.297	-0.238	20	5		DBBDRO
COC[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262327040	664189354	/nfs/dbraw/zinc/18/93/54/664189354.db2.gz	RCWWMTLWPLRPFK-ONGXEEELSA-N	1	0	309.326	-0.024	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC000933389364	664215190	/nfs/dbraw/zinc/21/51/90/664215190.db2.gz	ZGMXUEVVKVSZNB-ZYHUDNBSSA-N	1	0	324.385	-0.150	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C	ZINC000933389360	664215296	/nfs/dbraw/zinc/21/52/96/664215296.db2.gz	ZGMXUEVVKVSZNB-JQWIXIFHSA-N	1	0	324.385	-0.150	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000973256897	665015991	/nfs/dbraw/zinc/01/59/91/665015991.db2.gz	YXLJPEJIPPIICP-DDHJBXDOSA-N	1	0	310.354	-0.489	20	5		DBBDRO
Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC000983653224	671226008	/nfs/dbraw/zinc/22/60/08/671226008.db2.gz	HWGDMJCXNYMGFW-CNVPUSNMSA-N	1	0	308.342	-0.535	20	5		DBBDRO
C[N@H+](CCn1cncn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985433553	671481901	/nfs/dbraw/zinc/48/19/01/671481901.db2.gz	MEFRVQFMPUKVQZ-CHWSQXEVSA-N	1	0	322.369	-0.134	20	5		DBBDRO
Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001031662671	677494983	/nfs/dbraw/zinc/49/49/83/677494983.db2.gz	KIVMUKJMNMNYQT-CHWSQXEVSA-N	1	0	307.354	-0.324	20	5		DBBDRO
Cn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC000996428432	678247584	/nfs/dbraw/zinc/24/75/84/678247584.db2.gz	COJOWSDZYRFIRB-VXGBXAGGSA-N	1	0	308.342	-0.439	20	5		DBBDRO
Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1	ZINC000997773048	678509855	/nfs/dbraw/zinc/50/98/55/678509855.db2.gz	RLENOVQARINOCE-CHWSQXEVSA-N	1	0	322.369	-0.192	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CC2)OCCO3)c1	ZINC000075637118	679057519	/nfs/dbraw/zinc/05/75/19/679057519.db2.gz	NTHJTTJRLSVDFV-GFCCVEGCSA-N	1	0	312.326	-0.009	20	5		DBBDRO
[NH3+]CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000842222323	805587899	/nfs/dbraw/zinc/58/78/99/805587899.db2.gz	HKEQVRUGXWBQBR-UHFFFAOYSA-N	1	0	321.337	-0.682	20	5		DBBDRO
CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001296134684	805612933	/nfs/dbraw/zinc/61/29/33/805612933.db2.gz	ZADACKVBINXSLT-VXGBXAGGSA-N	1	0	312.370	-0.432	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1	ZINC001307781216	805931209	/nfs/dbraw/zinc/93/12/09/805931209.db2.gz	WNANREYTNZVOAO-KOLCDFICSA-N	1	0	306.269	-0.146	20	5		DBBDRO
C[C@](CO)([NH2+]CCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1	ZINC001307999061	805932106	/nfs/dbraw/zinc/93/21/06/805932106.db2.gz	FHZDGLBGWUGNRA-CQSZACIVSA-N	1	0	322.321	-0.056	20	5		DBBDRO
O=C1NC(=O)[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]12	ZINC001307785027	805932534	/nfs/dbraw/zinc/93/25/34/805932534.db2.gz	HBLLHGXIFWZQQW-TUAOUCFPSA-N	1	0	305.290	-0.167	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCO[C@@H]3COCC[C@@H]32)c1	ZINC001308107854	805933374	/nfs/dbraw/zinc/93/33/74/805933374.db2.gz	ZMBUJDGLFAABQI-RWMBFGLXSA-N	1	0	312.326	-0.358	20	5		DBBDRO
CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnnn1	ZINC001317564933	806187768	/nfs/dbraw/zinc/18/77/68/806187768.db2.gz	MIMQRZHJLQTBMA-UHFFFAOYSA-N	1	0	319.325	-0.171	20	5		DBBDRO
CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000861342897	806265484	/nfs/dbraw/zinc/26/54/84/806265484.db2.gz	DXOXGYQZHWXEOG-CABZTGNLSA-N	1	0	313.314	-0.161	20	5		DBBDRO
O=c1cc2c(n[nH]1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC001320408930	806487013	/nfs/dbraw/zinc/48/70/13/806487013.db2.gz	TUWQZEDMYVXYDQ-NSHDSACASA-N	1	0	320.309	-0.294	20	5		DBBDRO
CNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001324864687	807012428	/nfs/dbraw/zinc/01/24/28/807012428.db2.gz	RCKJUDSVGVIPTN-GHMZBOCLSA-N	1	0	312.370	-0.384	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)C[NH+]1CCCC1	ZINC000808223796	804954408	/nfs/dbraw/zinc/95/44/08/804954408.db2.gz	ZGGBEEDWMUKPLB-LLVKDONJSA-N	1	0	324.337	-0.671	20	5		DBBDRO
CC1(C)OCC(CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)CO1	ZINC000812836895	805022071	/nfs/dbraw/zinc/02/20/71/805022071.db2.gz	DCCVLZBCMZKOIL-UHFFFAOYSA-N	1	0	300.315	-0.105	20	5		DBBDRO
Cn1ncc(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000819331324	805125969	/nfs/dbraw/zinc/12/59/69/805125969.db2.gz	QUKLYZHTVXSBHS-GFCCVEGCSA-N	1	0	309.330	-0.497	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000825610521	805283462	/nfs/dbraw/zinc/28/34/62/805283462.db2.gz	HBLWOSDNVJLLOU-UHFFFAOYSA-N	1	0	321.337	-0.319	20	5		DBBDRO
C[NH+](C)CCC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001293731147	805443142	/nfs/dbraw/zinc/44/31/42/805443142.db2.gz	NVHYNWOHSATCRI-VXGBXAGGSA-N	1	0	312.370	-0.336	20	5		DBBDRO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000839649518	805557601	/nfs/dbraw/zinc/55/76/01/805557601.db2.gz	HCAQVSBUNFTLAZ-VXGBXAGGSA-N	1	0	312.370	-0.336	20	5		DBBDRO
C[C@@H](C[NH3+])NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001326148363	807153455	/nfs/dbraw/zinc/15/34/55/807153455.db2.gz	VHWCEUJKYPRZAM-VIFPVBQESA-N	1	0	310.310	-0.447	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])n1	ZINC001328386645	807420945	/nfs/dbraw/zinc/42/09/45/807420945.db2.gz	HOCNJONPSYIXBM-UHFFFAOYSA-N	1	0	303.344	-0.077	20	5		DBBDRO
O=C1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1	ZINC001328428831	807425997	/nfs/dbraw/zinc/42/59/97/807425997.db2.gz	IRODIZBCTCNNLG-RAIGVLPGSA-N	1	0	323.353	-0.247	20	5		DBBDRO
CCN(CC[NH3+])C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001328971126	807497585	/nfs/dbraw/zinc/49/75/85/807497585.db2.gz	DVLVEZUDBAHZSF-UHFFFAOYSA-N	1	0	324.337	-0.103	20	5		DBBDRO
C[C@@H]1CC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[NH2+]1	ZINC001329070516	807514777	/nfs/dbraw/zinc/51/47/77/807514777.db2.gz	RKOZXWBMBRYDPD-ZJUUUORDSA-N	1	0	324.341	-0.836	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001331730171	807822110	/nfs/dbraw/zinc/82/21/10/807822110.db2.gz	JUIOOAPQALORFC-ZJUUUORDSA-N	1	0	309.326	-0.391	20	5		DBBDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1	ZINC001333532152	808072179	/nfs/dbraw/zinc/07/21/79/808072179.db2.gz	LBBTYFPXGRGUNR-SECBINFHSA-N	1	0	324.337	-0.056	20	5		DBBDRO
C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1	ZINC001334933987	808213922	/nfs/dbraw/zinc/21/39/22/808213922.db2.gz	LCUOOLXRISZJNH-VXNVDRBHSA-N	1	0	319.343	-0.935	20	5		DBBDRO
C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001334932747	808214017	/nfs/dbraw/zinc/21/40/17/808214017.db2.gz	DVYZIDUIFGEBTD-SFYZADRCSA-N	1	0	303.344	-0.171	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCC(O)CC1	ZINC001341456652	808685776	/nfs/dbraw/zinc/68/57/76/808685776.db2.gz	SMOMNHLGUUDWEY-UHFFFAOYSA-N	1	0	311.342	-0.095	20	5		DBBDRO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[N@H+](C)C2CCC2)C1	ZINC000954242587	809199939	/nfs/dbraw/zinc/19/99/39/809199939.db2.gz	VDEVDKXCKNMMLR-CHWSQXEVSA-N	1	0	324.381	-0.195	20	5		DBBDRO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000954243177	809201367	/nfs/dbraw/zinc/20/13/67/809201367.db2.gz	LQLGMGNGKGZVIB-VXGBXAGGSA-N	1	0	324.381	-0.195	20	5		DBBDRO
NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC000957547742	809653428	/nfs/dbraw/zinc/65/34/28/809653428.db2.gz	OIINUFJPBTUZKD-VXGBXAGGSA-N	1	0	324.381	-0.159	20	5		DBBDRO
COc1nccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001020138902	814312019	/nfs/dbraw/zinc/31/20/19/814312019.db2.gz	HGEMQYKHAXFHDE-DDHJBXDOSA-N	1	0	321.337	-0.113	20	5		DBBDRO
NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1	ZINC001049021217	817511534	/nfs/dbraw/zinc/51/15/34/817511534.db2.gz	QFJQREVKZHUBCZ-TXEJJXNPSA-N	1	0	318.333	-0.030	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CC2CC2)CC1	ZINC001070963346	820587544	/nfs/dbraw/zinc/58/75/44/820587544.db2.gz	MZXHAFDDMXOJIH-CHWSQXEVSA-N	1	0	324.381	-0.288	20	5		DBBDRO
CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001072725196	820996684	/nfs/dbraw/zinc/99/66/84/820996684.db2.gz	KKXOENDTFHIUBU-GHMZBOCLSA-N	1	0	310.354	-0.726	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCC1	ZINC001086083002	825175265	/nfs/dbraw/zinc/17/52/65/825175265.db2.gz	KIYPWSRNDXUWSI-YVECIDJPSA-N	1	0	324.381	-0.242	20	5		DBBDRO
CCn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001086363289	825243223	/nfs/dbraw/zinc/24/32/23/825243223.db2.gz	LZUXYULCILTGKW-FPQZTECRSA-N	1	0	322.369	-0.052	20	5		DBBDRO
Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363228	825243806	/nfs/dbraw/zinc/24/38/06/825243806.db2.gz	INSRGXIVSSUBEF-GWOFURMSSA-N	1	0	308.342	-0.535	20	5		DBBDRO
CCC[N@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093788255	826169447	/nfs/dbraw/zinc/16/94/47/826169447.db2.gz	VUKMBWPAXXXPTM-UHFFFAOYSA-N	1	0	311.346	-0.163	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cc(N(CC[NH3+])S(C)(=O)=O)n1	ZINC001162124148	833075498	/nfs/dbraw/zinc/07/54/98/833075498.db2.gz	OXRIMFLIRGCBIG-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
[NH3+]Cc1ccnn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001162593146	833113185	/nfs/dbraw/zinc/11/31/85/833113185.db2.gz	YSTGLQSVOFNTFB-UHFFFAOYSA-N	1	0	305.298	-0.134	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1	ZINC001163238896	833140493	/nfs/dbraw/zinc/14/04/93/833140493.db2.gz	PLPUKXMFDVDCNH-TVQRCGJNSA-N	1	0	321.293	-0.234	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001163255466	833143938	/nfs/dbraw/zinc/14/39/38/833143938.db2.gz	WNKLIVTZSLNAAK-ZANVPECISA-N	1	0	321.293	-0.234	20	5		DBBDRO
CN1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1=O	ZINC001163633072	833159493	/nfs/dbraw/zinc/15/94/93/833159493.db2.gz	PGLXAALKOTZAPY-UHFFFAOYSA-N	1	0	321.341	-0.927	20	5		DBBDRO
COC(=O)[C@@H]1C[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CN1	ZINC001164304972	833204702	/nfs/dbraw/zinc/20/47/02/833204702.db2.gz	KHBZTVGDBBAXMX-IUCAKERBSA-N	1	0	322.325	-0.613	20	5		DBBDRO
CN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001164490671	833214016	/nfs/dbraw/zinc/21/40/16/833214016.db2.gz	QRFVPTCBTRRWKX-GHMZBOCLSA-N	1	0	312.370	-0.384	20	5		DBBDRO
Cn1nncc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001164491027	833214247	/nfs/dbraw/zinc/21/42/47/833214247.db2.gz	XWWYTROHTMSKMM-VXGBXAGGSA-N	1	0	322.369	-0.144	20	5		DBBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)n1	ZINC001165298004	833237816	/nfs/dbraw/zinc/23/78/16/833237816.db2.gz	OGMZPHRNNCFFLH-UHFFFAOYSA-N	1	0	312.717	-0.375	20	5		DBBDRO
O=[N+]([O-])c1c(N2CC[C@H](CO)C2)ncnc1N1CC[NH2+]CC1	ZINC001166554080	833273956	/nfs/dbraw/zinc/27/39/56/833273956.db2.gz	YAPIGRZQUXAAFX-JTQLQIEISA-N	1	0	308.342	-0.387	20	5		DBBDRO
Cn1ncc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1	ZINC001168320093	833322384	/nfs/dbraw/zinc/32/23/84/833322384.db2.gz	OVPFTRKGWZWZGK-UHFFFAOYSA-N	1	0	322.329	-0.634	20	5		DBBDRO
CNS(=O)(=O)[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC001168317162	833322411	/nfs/dbraw/zinc/32/24/11/833322411.db2.gz	JWGZZHSURKZNBG-JTQLQIEISA-N	1	0	317.371	-0.277	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NCCCC[NH+]1CCOCC1	ZINC001115894268	828868123	/nfs/dbraw/zinc/86/81/23/828868123.db2.gz	RLEFAVQNFMYJJG-UHFFFAOYSA-N	1	0	312.330	-0.585	20	5		DBBDRO
O=C1C=CC(=O)N1CCOCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168997464	833332477	/nfs/dbraw/zinc/33/24/77/833332477.db2.gz	ZPKCPQHHLMLKNU-VXGBXAGGSA-N	1	0	311.338	-0.037	20	5		DBBDRO
CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2	ZINC001169028379	833332833	/nfs/dbraw/zinc/33/28/33/833332833.db2.gz	RWUQLLHHSKEWQX-NFAWXSAZSA-N	1	0	324.381	-0.145	20	5		DBBDRO
NC(=O)c1nc(-n2cncc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-]	ZINC001169067306	833333626	/nfs/dbraw/zinc/33/36/26/833333626.db2.gz	PKUAKENZTSMKBX-SSDOTTSWSA-N	1	0	306.282	-0.864	20	5		DBBDRO
CN1CCOC[C@@H]1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001169653085	833343888	/nfs/dbraw/zinc/34/38/88/833343888.db2.gz	FQWFNAFCSSWRKQ-JTQLQIEISA-N	1	0	308.342	-0.186	20	5		DBBDRO
[NH3+]Cc1cnnn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001169310160	833338323	/nfs/dbraw/zinc/33/83/23/833338323.db2.gz	CILQECBCWISBQQ-UHFFFAOYSA-N	1	0	306.286	-0.739	20	5		DBBDRO
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCC1	ZINC001117534443	828989217	/nfs/dbraw/zinc/98/92/17/828989217.db2.gz	SDEPVMLNHDCWEN-NSHDSACASA-N	1	0	324.337	-0.671	20	5		DBBDRO
NC(=O)c1nc(NCCOCCOCC[NH3+])ccc1[N+](=O)[O-]	ZINC001170505380	833354439	/nfs/dbraw/zinc/35/44/39/833354439.db2.gz	NGASZDISUKIFSQ-UHFFFAOYSA-N	1	0	313.314	-0.508	20	5		DBBDRO
O=[N+]([O-])c1c(NC[C@@H]2COCC[NH2+]2)ncnc1N1CCOCC1	ZINC001170042172	833347965	/nfs/dbraw/zinc/34/79/65/833347965.db2.gz	OBOGGIHIYHJADD-SNVBAGLBSA-N	1	0	324.341	-0.378	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@H]2C[NH2+]C[C@@H]2CO)ncnc1N1CCOCC1	ZINC001170780211	833359946	/nfs/dbraw/zinc/35/99/46/833359946.db2.gz	SQYPRIUABKBTNP-ZJUUUORDSA-N	1	0	324.341	-0.786	20	5		DBBDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c(=O)n(C)c1	ZINC001170873668	833362063	/nfs/dbraw/zinc/36/20/63/833362063.db2.gz	HLGCJXQVFSAQJU-NXEZZACHSA-N	1	0	310.310	-0.144	20	5		DBBDRO
CCOC(=O)CN(CC[NH3+])c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001170993025	833363457	/nfs/dbraw/zinc/36/34/57/833363457.db2.gz	OYXYNHOHURDETQ-UHFFFAOYSA-N	1	0	311.298	-0.583	20	5		DBBDRO
NC(=O)C([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O	ZINC001172900712	833377022	/nfs/dbraw/zinc/37/70/22/833377022.db2.gz	YPESDRAOYALNNG-JTQLQIEISA-N	1	0	306.322	-0.229	20	5		DBBDRO
O=C(NCCO)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC001119253331	829242126	/nfs/dbraw/zinc/24/21/26/829242126.db2.gz	GYFXLSPQQHTILY-UHFFFAOYSA-N	1	0	311.342	-0.388	20	5		DBBDRO
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001175698233	833394941	/nfs/dbraw/zinc/39/49/41/833394941.db2.gz	NADUJGOLLXBBFS-SECBINFHSA-N	1	0	305.298	-0.241	20	5		DBBDRO
O=C(CN1CN=NC1=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001126027744	829898392	/nfs/dbraw/zinc/89/83/92/829898392.db2.gz	VGNCUMPUBKIUPC-UHFFFAOYSA-N	1	0	320.309	-0.202	20	5		DBBDRO
Cn1nnc2cc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21	ZINC001126932212	829970801	/nfs/dbraw/zinc/97/08/01/829970801.db2.gz	MJLSTMMDVDPTBV-ZWNOBZJWSA-N	1	0	318.337	-0.161	20	5		DBBDRO
COc1coc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O	ZINC001126939407	829971740	/nfs/dbraw/zinc/97/17/40/829971740.db2.gz	XAFOSWINJWHJCD-NXEZZACHSA-N	1	0	311.294	-0.481	20	5		DBBDRO
CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936960	829971950	/nfs/dbraw/zinc/97/19/50/829971950.db2.gz	YPWFYORAWXLBHW-NXEZZACHSA-N	1	0	300.359	-0.480	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCC[N@H+]1CCCO	ZINC001141311630	831190532	/nfs/dbraw/zinc/19/05/32/831190532.db2.gz	LSJIZDRVUYXETN-JTQLQIEISA-N	1	0	312.330	-0.851	20	5		DBBDRO
NC(=O)NCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001150415384	831614294	/nfs/dbraw/zinc/61/42/94/831614294.db2.gz	VOHZUGFABKVHCW-UHFFFAOYSA-N	1	0	315.355	-0.080	20	5		DBBDRO
COc1nc(N(CC[NH3+])S(C)(=O)=O)nc(OC)c1[N+](=O)[O-]	ZINC001154770874	831899110	/nfs/dbraw/zinc/89/91/10/831899110.db2.gz	UDURFNIOZBTYDY-UHFFFAOYSA-N	1	0	321.315	-0.873	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cnnn1C	ZINC001157349420	832035930	/nfs/dbraw/zinc/03/59/30/832035930.db2.gz	MCTLRKQHBPOMNG-UHFFFAOYSA-N	1	0	322.329	-0.634	20	5		DBBDRO
COc1cncc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001157766896	832061709	/nfs/dbraw/zinc/06/17/09/832061709.db2.gz	BINWNXVTEOLPES-GHMZBOCLSA-N	1	0	309.326	-0.254	20	5		DBBDRO
CCn1nnc(C)c1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767544	832061795	/nfs/dbraw/zinc/06/17/95/832061795.db2.gz	PZAXSSXLPMQJBA-GHMZBOCLSA-N	1	0	310.358	-0.132	20	5		DBBDRO
O=C(NCCC[NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767837	832061843	/nfs/dbraw/zinc/06/18/43/832061843.db2.gz	XAFHWYGTXMEKAC-NXEZZACHSA-N	1	0	308.342	-0.057	20	5		DBBDRO
CCc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C	ZINC001157761591	832061864	/nfs/dbraw/zinc/06/18/64/832061864.db2.gz	SQIRYDLIBFNPNJ-NXEZZACHSA-N	1	0	310.358	-0.361	20	5		DBBDRO
COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CN1	ZINC001158260096	832101278	/nfs/dbraw/zinc/10/12/78/832101278.db2.gz	URSMANCKJZWCQU-BDAKNGLRSA-N	1	0	322.325	-0.613	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC001158509605	832119884	/nfs/dbraw/zinc/11/98/84/832119884.db2.gz	XHAVOOLPMFULMG-QWHCGFSZSA-N	1	0	323.353	-0.151	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])C3(COC3)C2)n1	ZINC001158768270	832134495	/nfs/dbraw/zinc/13/44/95/832134495.db2.gz	AOSSCQWSMAHVQG-SECBINFHSA-N	1	0	322.325	-0.184	20	5		DBBDRO
N#CN1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001159097569	832157441	/nfs/dbraw/zinc/15/74/41/832157441.db2.gz	KDIOUJSMGDKUMH-UHFFFAOYSA-N	1	0	318.341	-0.603	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1	ZINC001159681978	832834589	/nfs/dbraw/zinc/83/45/89/832834589.db2.gz	IEUMXORNVODFJM-RKDXNWHRSA-N	1	0	310.314	-0.356	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1	ZINC001159681975	832834841	/nfs/dbraw/zinc/83/48/41/832834841.db2.gz	IEUMXORNVODFJM-DTWKUNHWSA-N	1	0	310.314	-0.356	20	5		DBBDRO
CC[C@@](N)(CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001159744725	832839269	/nfs/dbraw/zinc/83/92/69/832839269.db2.gz	ZRXSLNOEEYTPNL-LBPRGKRZSA-N	1	0	311.346	-0.736	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCC2)n1	ZINC001160334102	832895892	/nfs/dbraw/zinc/89/58/92/832895892.db2.gz	KPHCHOQGGPDIPJ-JTQLQIEISA-N	1	0	311.342	-0.002	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)n1	ZINC001160334108	832896874	/nfs/dbraw/zinc/89/68/74/832896874.db2.gz	KPHCHOQGGPDIPJ-SNVBAGLBSA-N	1	0	311.342	-0.002	20	5		DBBDRO
Nc1nc(NCCN(CC[NH3+])N(O)N=O)ccc1[N+](=O)[O-]	ZINC001161092654	832975754	/nfs/dbraw/zinc/97/57/54/832975754.db2.gz	XGFSUXSGVRAINE-UHFFFAOYSA-N	1	0	300.279	-0.468	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(C[NH+](C)C)C2)n1	ZINC001190548540	834166332	/nfs/dbraw/zinc/16/63/32/834166332.db2.gz	OLTXZMIERDEQGS-UHFFFAOYSA-N	1	0	303.344	-0.490	20	5		DBBDRO
COC[C@@]1(CO)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC001194410691	834596541	/nfs/dbraw/zinc/59/65/41/834596541.db2.gz	VSEBTRBCPVKTTB-STQMWFEESA-N	1	0	314.342	-0.517	20	5		DBBDRO
C[C@@H]1C[N@H+](CCO)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001195094900	834656897	/nfs/dbraw/zinc/65/68/97/834656897.db2.gz	WZKIRDXZXBJSHD-YPMHNXCESA-N	1	0	313.358	-0.849	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1	ZINC001261483345	834792898	/nfs/dbraw/zinc/79/28/98/834792898.db2.gz	QKLZNBYHLWLDAJ-GMXVVIOVSA-N	1	0	314.342	-0.613	20	5		DBBDRO
C[N@H+](CCNC(=O)Cn1ncnn1)Cc1ccc([N+](=O)[O-])cc1	ZINC001266274997	835262628	/nfs/dbraw/zinc/26/26/28/835262628.db2.gz	JKUCNAMUXUTYDS-UHFFFAOYSA-N	1	0	319.325	-0.171	20	5		DBBDRO
CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001176463500	978160104	/nfs/dbraw/zinc/16/01/04/978160104.db2.gz	HYFQPHRCFYXNHN-QJPTWQEYSA-N	1	0	300.315	-0.454	20	5		DBBDRO
CC[N@@H+]1CCC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224798809	979585350	/nfs/dbraw/zinc/58/53/50/979585350.db2.gz	CXVUNPJXTZHTTP-JTQLQIEISA-N	1	0	316.314	-0.421	20	5		DBBDRO
COC(=O)c1c[nH]c(=O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C	ZINC001226209709	979624064	/nfs/dbraw/zinc/62/40/64/979624064.db2.gz	RUYOQEDMSFOBNG-SECBINFHSA-O	1	0	313.330	-0.064	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(N2CC[NH+](C)CC2)C1	ZINC001326786852	979768585	/nfs/dbraw/zinc/76/85/85/979768585.db2.gz	IJFZITXJKXNSOS-UHFFFAOYSA-N	1	0	308.342	-0.600	20	5		DBBDRO
CN(CCC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001327212851	979799436	/nfs/dbraw/zinc/79/94/36/979799436.db2.gz	KKVNHPIGQMERQD-VXGBXAGGSA-N	1	0	310.358	-0.276	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)C1CC1	ZINC001343588672	979953814	/nfs/dbraw/zinc/95/38/14/979953814.db2.gz	YJHQUMUYJOZLMT-JTQLQIEISA-N	1	0	310.310	-0.690	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC001346620624	980158749	/nfs/dbraw/zinc/15/87/49/980158749.db2.gz	CWVUMCGTTFASNK-UHFFFAOYSA-N	1	0	310.358	-0.304	20	5		DBBDRO
O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1	ZINC001348320422	980279457	/nfs/dbraw/zinc/27/94/57/980279457.db2.gz	MCILAIRCDPSFSH-LLVKDONJSA-N	1	0	306.322	-0.268	20	5		DBBDRO
Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001349324218	980455042	/nfs/dbraw/zinc/45/50/42/980455042.db2.gz	CTIXSWOCIRUSCO-AAEUAGOBSA-N	1	0	324.341	-0.921	20	5		DBBDRO
O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]C1	ZINC001351546703	980665015	/nfs/dbraw/zinc/66/50/15/980665015.db2.gz	RCHXMJXGWJRZMI-SNVBAGLBSA-N	1	0	322.321	-0.432	20	5		DBBDRO
O=C(C[NH+]1CCCC1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001356617169	980956522	/nfs/dbraw/zinc/95/65/22/980956522.db2.gz	LFMLIPPEIMBMNL-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCC1	ZINC001491017731	1015194540	/nfs/dbraw/zinc/19/45/40/1015194540.db2.gz	UYNKHUKDPGWABM-YVECIDJPSA-N	1	0	324.381	-0.195	20	5		DBBDRO
C[NH+](C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1	ZINC001494217034	1016195222	/nfs/dbraw/zinc/19/52/22/1016195222.db2.gz	MPXCBLIBFQDLMS-WRWGMCAJSA-N	1	0	324.381	-0.101	20	5		DBBDRO
CC[NH+](CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001494434824	1016270083	/nfs/dbraw/zinc/27/00/83/1016270083.db2.gz	NXKXIYCHLSEDLP-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
CN(C)c1cc[nH+]c(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC001439292689	1003896798	/nfs/dbraw/zinc/89/67/98/1003896798.db2.gz	XUBREHRDNIUTQQ-UHFFFAOYSA-N	1	0	305.298	-0.036	20	5		DBBDRO
C[C@]12C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@]1(C)C(=O)NC2=O	ZINC001460599417	1009097259	/nfs/dbraw/zinc/09/72/59/1009097259.db2.gz	BUFMEEBQNLZOLJ-CHWSQXEVSA-N	1	0	307.310	-0.224	20	5		DBBDRO
Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC001466100108	1009399176	/nfs/dbraw/zinc/39/91/76/1009399176.db2.gz	YVMWBWICJRXIRK-JTQLQIEISA-N	1	0	309.326	-0.092	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001472624794	1009892999	/nfs/dbraw/zinc/89/29/99/1009892999.db2.gz	WXLWQMDGXOJZMP-MRVPVSSYSA-N	1	0	308.294	-0.102	20	5		DBBDRO
NC(=O)C1(O)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC001473469865	1009924366	/nfs/dbraw/zinc/92/43/66/1009924366.db2.gz	WGXQKBBHMVNBBB-GFCCVEGCSA-N	1	0	309.322	-0.060	20	5		DBBDRO
CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]n1	ZINC001483475876	1011884600	/nfs/dbraw/zinc/88/46/00/1011884600.db2.gz	MOTLRXWYPVDRHU-UHFFFAOYSA-N	1	0	322.329	-0.302	20	5		DBBDRO
COCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001484419151	1012620932	/nfs/dbraw/zinc/62/09/32/1012620932.db2.gz	GVXCCYKMXGETNK-CHWSQXEVSA-N	1	0	314.386	-0.532	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+]C3CCOCC3)C2)n1	ZINC001596117764	1017114738	/nfs/dbraw/zinc/11/47/38/1017114738.db2.gz	UNKVVCUKWCZLCQ-UHFFFAOYSA-N	1	0	309.326	-0.079	20	5		DBBDRO
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001597700523	1017204087	/nfs/dbraw/zinc/20/40/87/1017204087.db2.gz	KOUVWNDBAIKPSS-VIFPVBQESA-N	1	0	308.294	-0.102	20	5		DBBDRO
C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1CO	ZINC001604866963	1018471313	/nfs/dbraw/zinc/47/13/13/1018471313.db2.gz	GZMSTVPVWXKLAN-JTQLQIEISA-N	1	0	319.325	-0.112	20	5		DBBDRO
NC(=O)c1ccnc(NCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-]	ZINC001612388806	1019771653	/nfs/dbraw/zinc/77/16/53/1019771653.db2.gz	PJWMIFWYKIQIMX-UHFFFAOYSA-N	1	0	309.326	-0.043	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N1CC([NH2+][C@H]2CCOC2)C1	ZINC001612978896	1019773102	/nfs/dbraw/zinc/77/31/02/1019773102.db2.gz	CRUDJBAYGGRDPL-QMMMGPOBSA-N	1	0	307.310	-0.344	20	5		DBBDRO
CN(C)c1cc(F)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-]	ZINC001578422876	1020237428	/nfs/dbraw/zinc/23/74/28/1020237428.db2.gz	KISJJQBJWUXFAU-BXKDBHETSA-N	1	0	312.301	-0.138	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC001578538109	1020261141	/nfs/dbraw/zinc/26/11/41/1020261141.db2.gz	HGDLQWQUUGTMJU-DZGCQCFKSA-N	1	0	322.365	-0.178	20	5		DBBDRO
COC[C@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001578992371	1020347539	/nfs/dbraw/zinc/34/75/39/1020347539.db2.gz	UGSRQBOVQSTPMR-SNVBAGLBSA-N	1	0	310.310	-0.797	20	5		DBBDRO
Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c(C)c1[N+](=O)[O-]	ZINC001579731521	1020540964	/nfs/dbraw/zinc/54/09/64/1020540964.db2.gz	KKARYKCGOUQIRD-ZJUUUORDSA-N	1	0	315.351	-0.177	20	5		DBBDRO
Cc1ccc(S(=O)(=O)NC[C@@]2(O)CC[NH2+]C2)cc1[N+](=O)[O-]	ZINC001579731675	1020541635	/nfs/dbraw/zinc/54/16/35/1020541635.db2.gz	QJLHPRNAAIQQJD-GFCCVEGCSA-N	1	0	315.351	-0.094	20	5		DBBDRO
[NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC001580381675	1020705265	/nfs/dbraw/zinc/70/52/65/1020705265.db2.gz	RHVCKPQXTZRWCE-YPMHNXCESA-N	1	0	321.337	-0.245	20	5		DBBDRO
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001580569718	1020753104	/nfs/dbraw/zinc/75/31/04/1020753104.db2.gz	BMDBCHNFVBPNMQ-NSHDSACASA-N	1	0	318.333	-0.174	20	5		DBBDRO
O=[N+]([O-])c1cccnc1N1CCN(C[C@]2(O)CC[NH2+]C2)CC1	ZINC001580876038	1020811889	/nfs/dbraw/zinc/81/18/89/1020811889.db2.gz	XXCVBSXFDJPJJV-AWEZNQCLSA-N	1	0	307.354	-0.164	20	5		DBBDRO
C[NH+](C)C[C@H](O)CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC001591011710	1021630410	/nfs/dbraw/zinc/63/04/10/1021630410.db2.gz	GQAURDOJHQECAY-MRVPVSSYSA-N	1	0	308.302	-0.496	20	5		DBBDRO
C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001525022566	1022365636	/nfs/dbraw/zinc/36/56/36/1022365636.db2.gz	NGSDXPIMYGVRRC-DDHJBXDOSA-N	1	0	312.370	-0.243	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1	ZINC001558535844	1023963479	/nfs/dbraw/zinc/96/34/79/1023963479.db2.gz	QHGQCGSSFNCVIW-UHFFFAOYSA-N	1	0	323.357	-0.965	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001558702675	1023968620	/nfs/dbraw/zinc/96/86/20/1023968620.db2.gz	VZIUTOMPIPTFGU-UWVGGRQHSA-N	1	0	309.326	-0.011	20	5		DBBDRO
CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1	ZINC001566829620	1024382112	/nfs/dbraw/zinc/38/21/12/1024382112.db2.gz	INNXYWGOCCNNFA-AOOOYVTPSA-N	1	0	324.341	-0.799	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N	ZINC000449702433	529779662	/nfs/dbraw/zinc/77/96/62/529779662.db2.gz	UQUZYIJTBDKSOP-SECBINFHSA-N	1	0	311.317	-0.051	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000449698506	529779859	/nfs/dbraw/zinc/77/98/59/529779859.db2.gz	NEEDJZPPHBTNLI-NSHDSACASA-N	1	0	308.338	-0.007	20	5		DBBDRO
CNC(=O)CN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000365897674	412508298	/nfs/dbraw/zinc/50/82/98/412508298.db2.gz	XWXLOIIZWXBHOA-UHFFFAOYSA-N	1	0	309.330	-0.775	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc([N+](=O)[O-])c(N)n1	ZINC000591982437	412511121	/nfs/dbraw/zinc/51/11/21/412511121.db2.gz	LWOYGGTUYAOVDW-MRVPVSSYSA-N	1	0	309.330	-0.477	20	5		DBBDRO
Nc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000375774330	412524126	/nfs/dbraw/zinc/52/41/26/412524126.db2.gz	OKKJEFPUWCRCMM-MWLCHTKSSA-N	1	0	308.342	0.002	20	5		DBBDRO
O=C1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C2CC2)N1	ZINC000342027667	138117832	/nfs/dbraw/zinc/11/78/32/138117832.db2.gz	XFYRSLXBCJANNK-DYEKYZERSA-N	1	0	323.353	-0.201	20	5		DBBDRO
CN(C)C(=O)C[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000369995747	138155550	/nfs/dbraw/zinc/15/55/50/138155550.db2.gz	BJFRFWGJRPWBPT-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
O=C(NC1C[NH2+]C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000562827581	284016037	/nfs/dbraw/zinc/01/60/37/284016037.db2.gz	GJEXTMOZBXZCRY-UHFFFAOYSA-N	1	0	304.306	-0.433	20	5		DBBDRO
C[C@H](C[NH3+])NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000562829268	284016607	/nfs/dbraw/zinc/01/66/07/284016607.db2.gz	AATIRDQBMKOHMC-SECBINFHSA-N	1	0	306.322	-0.057	20	5		DBBDRO
COCCn1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC000564076034	284054524	/nfs/dbraw/zinc/05/45/24/284054524.db2.gz	CYQPMNFZKQLNGL-CYBMUJFWSA-N	1	0	324.341	-0.215	20	5		DBBDRO
CNC(=O)[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000565539864	284098415	/nfs/dbraw/zinc/09/84/15/284098415.db2.gz	FVUUNQRYJXZXOL-NXEZZACHSA-N	1	0	313.310	-0.969	20	5		DBBDRO
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000565599478	284099898	/nfs/dbraw/zinc/09/98/98/284099898.db2.gz	KMBSBDZKEAYITP-NSHDSACASA-N	1	0	312.330	-0.993	20	5		DBBDRO
O=C(COC1C[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000577749607	374265494	/nfs/dbraw/zinc/26/54/94/374265494.db2.gz	IXLKZAZBPIOTNZ-UHFFFAOYSA-N	1	0	309.326	-0.057	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(CO)CO	ZINC000157514101	374287636	/nfs/dbraw/zinc/28/76/36/374287636.db2.gz	SUUVVPFFZIMYBT-NSHDSACASA-N	1	0	302.331	-0.925	20	5		DBBDRO
C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1CCO	ZINC000187270849	374296009	/nfs/dbraw/zinc/29/60/09/374296009.db2.gz	DLFBTQXKJNFVIJ-NSHDSACASA-N	1	0	311.342	-0.294	20	5		DBBDRO
CO[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C[NH3+])C1	ZINC000359226644	374360470	/nfs/dbraw/zinc/36/04/70/374360470.db2.gz	MUPISJQUFODXEG-NWDGAFQWSA-N	1	0	324.337	-0.279	20	5		DBBDRO
CCC[C@H](O)[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579474578	374557777	/nfs/dbraw/zinc/55/77/77/374557777.db2.gz	FCQFSHBTEIGEKE-SRVKXCTJSA-N	1	0	302.331	-0.736	20	5		DBBDRO
CC[N@H+](CCOCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000282034499	374576200	/nfs/dbraw/zinc/57/62/00/374576200.db2.gz	LBLHQWJOXRUHEU-LBPRGKRZSA-N	1	0	302.331	-0.517	20	5		DBBDRO
Cn1c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-]	ZINC000261629491	374585935	/nfs/dbraw/zinc/58/59/35/374585935.db2.gz	BVMGSGDZTNPBEG-JTQLQIEISA-N	1	0	323.353	-0.140	20	5		DBBDRO
Cn1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000579853097	374614196	/nfs/dbraw/zinc/61/41/96/374614196.db2.gz	CCDGCGQTSAWZCW-DTWKUNHWSA-N	1	0	307.310	-0.683	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604470	374693678	/nfs/dbraw/zinc/69/36/78/374693678.db2.gz	UMZIJYVTVOFZGD-FRRDWIJNSA-N	1	0	312.322	-0.238	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1	ZINC000611235174	374869775	/nfs/dbraw/zinc/86/97/75/374869775.db2.gz	BMPONODFCWMNFI-JQWIXIFHSA-N	1	0	323.353	-0.001	20	5		DBBDRO
O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000362410272	375009160	/nfs/dbraw/zinc/00/91/60/375009160.db2.gz	MLEKJURHQHVPOX-TZMCWYRMSA-N	1	0	323.353	-0.246	20	5		DBBDRO
COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1	ZINC000264461919	375530735	/nfs/dbraw/zinc/53/07/35/375530735.db2.gz	DXNAHNPPDCJMLZ-NSHDSACASA-N	1	0	311.342	-0.063	20	5		DBBDRO
COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1	ZINC000264461916	375531611	/nfs/dbraw/zinc/53/16/11/375531611.db2.gz	DXNAHNPPDCJMLZ-LLVKDONJSA-N	1	0	311.342	-0.063	20	5		DBBDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1	ZINC000590446967	375541802	/nfs/dbraw/zinc/54/18/02/375541802.db2.gz	XPUOUPBYCAYPFI-PWSUYJOCSA-N	1	0	306.322	-0.081	20	5		DBBDRO
NC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000184812837	375554891	/nfs/dbraw/zinc/55/48/91/375554891.db2.gz	DCGSGJAHPWZXAM-GRYCIOLGSA-N	1	0	311.342	-0.214	20	5		DBBDRO
[NH3+]CCn1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)nn1	ZINC000566507483	375596738	/nfs/dbraw/zinc/59/67/38/375596738.db2.gz	CUZLZGPQNJAPNW-UHFFFAOYSA-N	1	0	320.309	-0.046	20	5		DBBDRO
CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000300703559	375625811	/nfs/dbraw/zinc/62/58/11/375625811.db2.gz	MBTCICZORGNDCG-INTQDDNPSA-N	1	0	304.372	-0.146	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOC[C@@H]2CCCO2)c1	ZINC000591740134	375744498	/nfs/dbraw/zinc/74/44/98/375744498.db2.gz	WCYDCZFCFQTDRC-STQMWFEESA-N	1	0	314.342	-0.063	20	5		DBBDRO
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CN(C)CCO1	ZINC000591756617	375745012	/nfs/dbraw/zinc/74/50/12/375745012.db2.gz	KOMDKGMCFILFFS-CYZMBNFOSA-N	1	0	313.358	-0.539	20	5		DBBDRO
C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000591749083	375745846	/nfs/dbraw/zinc/74/58/46/375745846.db2.gz	FSUWRYOZDYLPFF-WXHSDQCUSA-N	1	0	314.342	-0.064	20	5		DBBDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000592476991	375807148	/nfs/dbraw/zinc/80/71/48/375807148.db2.gz	LUENHPLPQHSEHF-GXSJLCMTSA-N	1	0	310.310	-0.669	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000592878535	375825724	/nfs/dbraw/zinc/82/57/24/375825724.db2.gz	FKGWPUGYASPXCS-JTQLQIEISA-N	1	0	324.341	-0.630	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O	ZINC000594874248	375967206	/nfs/dbraw/zinc/96/72/06/375967206.db2.gz	QEQZEGRGRDFETB-STQMWFEESA-N	1	0	318.333	-0.092	20	5		DBBDRO
C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1	ZINC000595108179	375973183	/nfs/dbraw/zinc/97/31/83/375973183.db2.gz	IVEJIDGZRWDSFI-SCZZXKLOSA-N	1	0	316.339	-0.274	20	5		DBBDRO
[NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1	ZINC000595107377	375973295	/nfs/dbraw/zinc/97/32/95/375973295.db2.gz	BYDBKGRVYYHFCM-SECBINFHSA-N	1	0	302.312	-0.662	20	5		DBBDRO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)nc1	ZINC000595104060	375973486	/nfs/dbraw/zinc/97/34/86/375973486.db2.gz	DMEWOPRONTYEBA-UHFFFAOYSA-N	1	0	315.355	-0.827	20	5		DBBDRO
CCc1n[nH]c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-]	ZINC000594393428	375924486	/nfs/dbraw/zinc/92/44/86/375924486.db2.gz	MNOQVKAUZGPYCR-DTWKUNHWSA-N	1	0	309.326	-0.229	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1	ZINC000595609642	376024196	/nfs/dbraw/zinc/02/41/96/376024196.db2.gz	ZPJQNFGPNZCLDB-DGCLKSJQSA-N	1	0	321.341	-0.234	20	5		DBBDRO
NC(=O)c1ccc(CNC2(CO)CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000595901196	376044427	/nfs/dbraw/zinc/04/44/27/376044427.db2.gz	DKVHTSSPYGXZLG-UHFFFAOYSA-N	1	0	308.338	-0.102	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)n1	ZINC000597575272	376150455	/nfs/dbraw/zinc/15/04/55/376150455.db2.gz	WGQSOUPDFREDOS-ZDUSSCGKSA-N	1	0	311.342	-0.143	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)n1	ZINC000597626383	376160304	/nfs/dbraw/zinc/16/03/04/376160304.db2.gz	SVVAOLGTRQQHOB-LLVKDONJSA-N	1	0	322.369	-0.069	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](N2CCOCC2)C1	ZINC000597709636	376167765	/nfs/dbraw/zinc/16/77/65/376167765.db2.gz	KHSATHNKEDPBHC-NSHDSACASA-N	1	0	324.341	-0.491	20	5		DBBDRO
[NH3+]C1(CO)CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000598913542	376228577	/nfs/dbraw/zinc/22/85/77/376228577.db2.gz	LLIWIWSDUREYDR-UHFFFAOYSA-N	1	0	322.321	-0.155	20	5		DBBDRO
Nc1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)nc(N)[nH+]1	ZINC000599068046	376240074	/nfs/dbraw/zinc/24/00/74/376240074.db2.gz	BDAUGIMWRNXOHX-UHFFFAOYSA-N	1	0	303.282	-0.127	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)n1	ZINC000599099163	376242459	/nfs/dbraw/zinc/24/24/59/376242459.db2.gz	BDPNMULNMKMSDU-NSHDSACASA-N	1	0	315.355	-0.298	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)n1	ZINC000599100752	376242597	/nfs/dbraw/zinc/24/25/97/376242597.db2.gz	MXVMNQFZYYKMEM-GZMMTYOYSA-N	1	0	315.355	-0.170	20	5		DBBDRO
C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC000599095761	376243013	/nfs/dbraw/zinc/24/30/13/376243013.db2.gz	HUIZIVIGSADHDH-VIFPVBQESA-N	1	0	317.371	-0.052	20	5		DBBDRO
C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599099877	376243466	/nfs/dbraw/zinc/24/34/66/376243466.db2.gz	FXHPMYBMOVTRKQ-YUMQZZPRSA-N	1	0	303.344	-0.314	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)n1	ZINC000599102841	376244020	/nfs/dbraw/zinc/24/40/20/376244020.db2.gz	SHHGVSBLWREYQV-VIFPVBQESA-N	1	0	315.355	-0.157	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)n1	ZINC000599106831	376244625	/nfs/dbraw/zinc/24/46/25/376244625.db2.gz	HPCXZJHCNCAODR-MRVPVSSYSA-N	1	0	303.344	-0.251	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)n1	ZINC000599107817	376246171	/nfs/dbraw/zinc/24/61/71/376246171.db2.gz	VXQUBBSKEAVQFE-SECBINFHSA-N	1	0	315.355	-0.109	20	5		DBBDRO
C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000599107631	376246182	/nfs/dbraw/zinc/24/61/82/376246182.db2.gz	PPFHZRUTIMVOCS-UHFFFAOYSA-N	1	0	318.355	-0.154	20	5		DBBDRO
C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+](C)C	ZINC000599311773	376274646	/nfs/dbraw/zinc/27/46/46/376274646.db2.gz	LUJXLHHFWWJEGJ-QMMMGPOBSA-N	1	0	305.360	-0.196	20	5		DBBDRO
O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000599899070	376343793	/nfs/dbraw/zinc/34/37/93/376343793.db2.gz	KVQYXZGITZFEEK-SNVBAGLBSA-N	1	0	308.294	-0.362	20	5		DBBDRO
CCCc1n[nH]c(C(=O)NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000568760751	376586798	/nfs/dbraw/zinc/58/67/98/376586798.db2.gz	AJOSOPNLVDKRSE-UHFFFAOYSA-N	1	0	324.341	-0.568	20	5		DBBDRO
Cc1nn(CCC(=O)NC[C@H]2C[NH2+]CCN2C)c(C)c1[N+](=O)[O-]	ZINC000570390582	376698338	/nfs/dbraw/zinc/69/83/38/376698338.db2.gz	WAKNGBGUSYHQTO-GFCCVEGCSA-N	1	0	324.385	-0.182	20	5		DBBDRO
C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000571896717	376780476	/nfs/dbraw/zinc/78/04/76/376780476.db2.gz	FLRBSEDXWWAPAE-SNVBAGLBSA-N	1	0	324.337	-0.105	20	5		DBBDRO
COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000571801271	376769324	/nfs/dbraw/zinc/76/93/24/376769324.db2.gz	SSBPHAXDFDXXGD-PWSUYJOCSA-N	1	0	314.294	-0.542	20	5		DBBDRO
C[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262439751	376928558	/nfs/dbraw/zinc/92/85/58/376928558.db2.gz	NCKYWYBNDUDREL-QMMMGPOBSA-N	1	0	316.339	-0.664	20	5		DBBDRO
[NH3+]CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262465475	376938369	/nfs/dbraw/zinc/93/83/69/376938369.db2.gz	LUYPRILVZITYTF-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1OC	ZINC000573795890	377143920	/nfs/dbraw/zinc/14/39/20/377143920.db2.gz	SJSXBBSHYBDZOH-WUHRBBMRSA-N	1	0	314.342	-0.066	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1	ZINC000574756925	378333404	/nfs/dbraw/zinc/33/34/04/378333404.db2.gz	JMQNDEZGSINCCZ-TUAOUCFPSA-N	1	0	300.315	-0.718	20	5		DBBDRO
CO[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000160317906	378447232	/nfs/dbraw/zinc/44/72/32/378447232.db2.gz	WYCOEPBKLCOVSL-RYUDHWBXSA-N	1	0	300.315	-0.453	20	5		DBBDRO
COC[C@@](C)(O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582296690	379616798	/nfs/dbraw/zinc/61/67/98/379616798.db2.gz	RHYZXJCUYVFMRD-RYUDHWBXSA-N	1	0	302.331	-0.471	20	5		DBBDRO
C[C@H](CO)[N@H+](C[C@H](C)O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248879833	379816408	/nfs/dbraw/zinc/81/64/08/379816408.db2.gz	CZEAJUACXMYKRP-SCVCMEIPSA-N	1	0	302.331	-0.784	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000269881736	379937209	/nfs/dbraw/zinc/93/72/09/379937209.db2.gz	INEVGPSKUZEWLH-CQSZACIVSA-N	1	0	324.337	-0.038	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000162305521	380163129	/nfs/dbraw/zinc/16/31/29/380163129.db2.gz	GNWQDPRDSINYRG-LLVKDONJSA-N	1	0	310.358	-0.409	20	5		DBBDRO
CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000075721469	380373314	/nfs/dbraw/zinc/37/33/14/380373314.db2.gz	MPMONXFZGMBBHL-PWSUYJOCSA-N	1	0	311.342	-0.390	20	5		DBBDRO
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000169190478	380373648	/nfs/dbraw/zinc/37/36/48/380373648.db2.gz	FHIPJRSCIQJZPD-ZMLRMANQSA-N	1	0	321.337	-0.275	20	5		DBBDRO
O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1	ZINC000576581668	380483887	/nfs/dbraw/zinc/48/38/87/380483887.db2.gz	KTFSMKXAOOWIOR-LLVKDONJSA-N	1	0	324.341	-0.834	20	5		DBBDRO
O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000238011422	380484518	/nfs/dbraw/zinc/48/45/18/380484518.db2.gz	QTAKHIBETVIIKQ-KGLIPLIRSA-N	1	0	320.349	-0.034	20	5		DBBDRO
COCCO[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000249427412	380840809	/nfs/dbraw/zinc/84/08/09/380840809.db2.gz	YLYYFCNVVZNOSV-CHWSQXEVSA-N	1	0	314.342	-0.111	20	5		DBBDRO
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(Cc2ncc[nH]2)CC1	ZINC000549185507	381023353	/nfs/dbraw/zinc/02/33/53/381023353.db2.gz	QBKJKEGMYUQEMB-UHFFFAOYSA-N	1	0	305.298	-0.001	20	5		DBBDRO
O=C(COc1cccc([N+](=O)[O-])c1)NCC(=O)N1CC[NH2+]CC1	ZINC000549506887	381030639	/nfs/dbraw/zinc/03/06/39/381030639.db2.gz	FHNNFDMUGUMKJT-UHFFFAOYSA-N	1	0	322.321	-0.478	20	5		DBBDRO
CN1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O	ZINC000581288871	382139067	/nfs/dbraw/zinc/13/90/67/382139067.db2.gz	PDDYCUIKHDDHBC-ZYHUDNBSSA-N	1	0	311.342	-0.295	20	5		DBBDRO
[NH3+]CCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000419827949	382503549	/nfs/dbraw/zinc/50/35/49/382503549.db2.gz	GCHFYTPXTLYFIM-UHFFFAOYSA-N	1	0	322.321	-0.351	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000533557358	382568926	/nfs/dbraw/zinc/56/89/26/382568926.db2.gz	PWTYYPPHVFTYHW-LLVKDONJSA-N	1	0	318.355	-0.419	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@H]2CO)c1	ZINC000330820483	382597613	/nfs/dbraw/zinc/59/76/13/382597613.db2.gz	FKSXRBDWHNSBEI-MNOVXSKESA-N	1	0	302.356	-0.438	20	5		DBBDRO
CO[C@@H](C[NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000353478230	382641158	/nfs/dbraw/zinc/64/11/58/382641158.db2.gz	FBTJUZVHBZGLHQ-ONGXEEELSA-N	1	0	309.326	-0.024	20	5		DBBDRO
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)C[NH+]1CCN(C)CC1	ZINC000356461045	382644482	/nfs/dbraw/zinc/64/44/82/382644482.db2.gz	RHLVBLZCUIRVHK-NSHDSACASA-N	1	0	324.385	-0.058	20	5		DBBDRO
C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000132245912	382637935	/nfs/dbraw/zinc/63/79/35/382637935.db2.gz	NEGNVWAVALLHQW-SECBINFHSA-N	1	0	303.340	-0.157	20	5		DBBDRO
O=[N+]([O-])c1c(N2C[C@@H]3C[C@H]2C[NH2+]3)ncnc1N1CCOCC1	ZINC000601982581	382638511	/nfs/dbraw/zinc/63/85/11/382638511.db2.gz	IBGZIEGPZUQJFD-UWVGGRQHSA-N	1	0	306.326	-0.228	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000274415387	130232305	/nfs/dbraw/zinc/23/23/05/130232305.db2.gz	JXWXCQXCRKJNFK-UHFFFAOYSA-N	1	0	300.702	-0.061	20	5		DBBDRO
CO[C@@H]1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1OC	ZINC000488069224	392000000	/nfs/dbraw/zinc/00/00/00/392000000.db2.gz	DZBDDUYEERWPGD-IJLUTSLNSA-N	1	0	300.315	-0.502	20	5		DBBDRO
CC1(C)CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]1	ZINC000419458489	392139172	/nfs/dbraw/zinc/13/91/72/392139172.db2.gz	BOPHZPKRIUPTAD-UHFFFAOYSA-N	1	0	324.341	-0.882	20	5		DBBDRO
O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH2+]CC1	ZINC000419036352	392139407	/nfs/dbraw/zinc/13/94/07/392139407.db2.gz	GHBCNOGVCYZQDN-UHFFFAOYSA-N	1	0	306.322	-0.315	20	5		DBBDRO
Cc1ccc(NCCCNC(=O)C(=O)NCC[NH3+])c([N+](=O)[O-])c1	ZINC000419454385	392139675	/nfs/dbraw/zinc/13/96/75/392139675.db2.gz	MGHWAVAIQIYOMK-UHFFFAOYSA-N	1	0	323.353	-0.104	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-]	ZINC000428951404	392147987	/nfs/dbraw/zinc/14/79/87/392147987.db2.gz	JEYLSCBKCPVWPD-VIFPVBQESA-N	1	0	324.341	-0.447	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000353066738	392160767	/nfs/dbraw/zinc/16/07/67/392160767.db2.gz	NXUIJRZSIZWICG-UHFFFAOYSA-N	1	0	324.341	-0.928	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285480898	131172555	/nfs/dbraw/zinc/17/25/55/131172555.db2.gz	ONWREJFHMCVZFH-VIFPVBQESA-N	1	0	310.314	-0.613	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](CO)C[NH+]1CCCCC1	ZINC000288441345	131325211	/nfs/dbraw/zinc/32/52/11/131325211.db2.gz	IOMFCXMQUYSXNS-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
Cc1[nH]nc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-]	ZINC000299495644	132108178	/nfs/dbraw/zinc/10/81/78/132108178.db2.gz	BHSDCSIZAANVTO-UHFFFAOYSA-N	1	0	324.341	-0.528	20	5		DBBDRO
O=C1NC(=O)[C@]2(CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)N1	ZINC000192679106	393653615	/nfs/dbraw/zinc/65/36/15/393653615.db2.gz	JHLURLLEXXANAL-GFCCVEGCSA-N	1	0	308.298	-0.535	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1	ZINC000420263676	412308152	/nfs/dbraw/zinc/30/81/52/412308152.db2.gz	CJXAIYZSLTTZDM-JTQLQIEISA-N	1	0	318.337	0.559	20	5		DBBDRO
CNc1nccc(C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-]	ZINC000584240821	412340210	/nfs/dbraw/zinc/34/02/10/412340210.db2.gz	SOGDAMHVKGRMLY-JTQLQIEISA-N	1	0	323.353	0.482	20	5		DBBDRO
O=[N+]([O-])c1cnc(NCCCC[NH+]2CCN(CCO)CC2)nc1	ZINC000354587197	412429969	/nfs/dbraw/zinc/42/99/69/412429969.db2.gz	BSZZPUPGAXSQHW-UHFFFAOYSA-N	1	0	324.385	0.187	20	5		DBBDRO
C[N@@H+](CC(=O)N1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000610367106	544446138	/nfs/dbraw/zinc/44/61/38/544446138.db2.gz	FFIJLRONOKXVKN-GFCCVEGCSA-N	1	0	311.342	-0.294	20	5		DBBDRO
CC[NH2+]CCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000418924813	265758256	/nfs/dbraw/zinc/75/82/56/265758256.db2.gz	QBWUDECYXPYGOZ-UHFFFAOYSA-N	1	0	308.338	-0.021	20	5		DBBDRO
O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CC1	ZINC000418927126	265758508	/nfs/dbraw/zinc/75/85/08/265758508.db2.gz	WHKTWFZAWHUNOZ-UHFFFAOYSA-N	1	0	306.322	-0.315	20	5		DBBDRO
O=C1C[C@@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CN1	ZINC000434759595	266056363	/nfs/dbraw/zinc/05/63/63/266056363.db2.gz	WUEWBGCYZFQXSD-AWEZNQCLSA-N	1	0	306.322	-0.032	20	5		DBBDRO
CNc1nc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-]	ZINC000456077494	266145939	/nfs/dbraw/zinc/14/59/39/266145939.db2.gz	YUDGUWJJBTZXOK-ZDUSSCGKSA-N	1	0	309.326	-0.172	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000517197314	266291717	/nfs/dbraw/zinc/29/17/17/266291717.db2.gz	GITWDUTUDMOFNV-ZDUSSCGKSA-N	1	0	309.326	-0.636	20	5		DBBDRO
CCCc1n[nH]c(C(=O)NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-]	ZINC000570800566	332820069	/nfs/dbraw/zinc/82/00/69/332820069.db2.gz	TZLDAJGNUWIZDO-SECBINFHSA-N	1	0	310.358	-0.096	20	5		DBBDRO
CNc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000569603133	332198434	/nfs/dbraw/zinc/19/84/34/332198434.db2.gz	FPEQMCOLADVURZ-UHFFFAOYSA-N	1	0	321.337	-0.202	20	5		DBBDRO
O=C(COC1C[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000583378753	332373853	/nfs/dbraw/zinc/37/38/53/332373853.db2.gz	KFCIIGBCQOQITD-UHFFFAOYSA-N	1	0	321.337	-0.373	20	5		DBBDRO
O=C(NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1	ZINC000582176386	335725226	/nfs/dbraw/zinc/72/52/26/335725226.db2.gz	QOHVJMKQHSPSBZ-LLVKDONJSA-N	1	0	323.309	-0.235	20	5		DBBDRO
CN(CC[NH3+])C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000583806615	337335322	/nfs/dbraw/zinc/33/53/22/337335322.db2.gz	HOKGTWZPGRGYTQ-UHFFFAOYSA-N	1	0	306.322	-0.103	20	5		DBBDRO
C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000571896715	337581458	/nfs/dbraw/zinc/58/14/58/337581458.db2.gz	FLRBSEDXWWAPAE-JTQLQIEISA-N	1	0	324.337	-0.105	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000337385747	521884327	/nfs/dbraw/zinc/88/43/27/521884327.db2.gz	FBAWWJPVPSQRHW-CYBMUJFWSA-N	1	0	312.326	-0.815	20	5		DBBDRO
C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+]1CCN(C)CC1	ZINC000264990129	524659076	/nfs/dbraw/zinc/65/90/76/524659076.db2.gz	BBENUVDSCODFJK-LBPRGKRZSA-N	1	0	324.385	-0.209	20	5		DBBDRO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000332690307	525699998	/nfs/dbraw/zinc/69/99/98/525699998.db2.gz	KBXRFTIHGHFBNS-NXEZZACHSA-N	1	0	311.342	-0.145	20	5		DBBDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1	ZINC000285985763	536479967	/nfs/dbraw/zinc/47/99/67/536479967.db2.gz	YBXLBBMDGHRWHD-NWDGAFQWSA-N	1	0	309.326	-0.277	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nn[nH]n2)c1	ZINC000738369319	598499113	/nfs/dbraw/zinc/49/91/13/598499113.db2.gz	KVHKBZRSSOPZPN-HTQZYQBOSA-N	1	0	302.298	-0.175	20	5		DBBDRO
C[NH+](C)C[C@@H](O)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000821583210	607167391	/nfs/dbraw/zinc/16/73/91/607167391.db2.gz	MIGJYXYNEDYDAP-ZETCQYMHSA-N	1	0	308.302	-0.496	20	5		DBBDRO
CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C)CC1	ZINC000888994155	665949170	/nfs/dbraw/zinc/94/91/70/665949170.db2.gz	WRGWDVLUPKJGCL-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
COC[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262327036	664189902	/nfs/dbraw/zinc/18/99/02/664189902.db2.gz	RCWWMTLWPLRPFK-KOLCDFICSA-N	1	0	309.326	-0.024	20	5		DBBDRO
Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O	ZINC001022061564	664203838	/nfs/dbraw/zinc/20/38/38/664203838.db2.gz	OFCKAVAPDFAIST-YVECIDJPSA-N	1	0	320.349	-0.213	20	5		DBBDRO
O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001022063387	664205174	/nfs/dbraw/zinc/20/51/74/664205174.db2.gz	AAOZNUQXAGHKPT-WRWGMCAJSA-N	1	0	310.354	-0.489	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnon2)C1	ZINC001022871066	664392586	/nfs/dbraw/zinc/39/25/86/664392586.db2.gz	FFLKZQYWRKKRRP-OCAPTIKFSA-N	1	0	321.297	-0.238	20	5		DBBDRO
O=C(CC[NH+]1CCCCC1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991291310	674656437	/nfs/dbraw/zinc/65/64/37/674656437.db2.gz	UVKXVUKNRAUEFZ-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
Cc1nn(C)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025776103	665085920	/nfs/dbraw/zinc/08/59/20/665085920.db2.gz	XWQYEWYZNALARW-RGDJUOJXSA-N	1	0	319.365	-0.060	20	5		DBBDRO
Cn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000983653834	671225595	/nfs/dbraw/zinc/22/55/95/671225595.db2.gz	LVTOJIKVYFJIAM-CNVPUSNMSA-N	1	0	308.342	-0.535	20	5		DBBDRO
Cn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000940107840	677647907	/nfs/dbraw/zinc/64/79/07/677647907.db2.gz	QSUAPUZWTXEKBE-GHMZBOCLSA-N	1	0	322.369	-0.049	20	5		DBBDRO
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000999897662	678758304	/nfs/dbraw/zinc/75/83/04/678758304.db2.gz	BUFXGRSCYYFKLV-VXGBXAGGSA-N	1	0	324.381	-0.290	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCN2CC[NH2+]C[C@@H]2C1	ZINC001164398623	718834904	/nfs/dbraw/zinc/83/49/04/718834904.db2.gz	IAXWHYKLHTUQJC-SECBINFHSA-N	1	0	313.745	-0.025	20	5		DBBDRO
CNC(=O)[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000843111780	805609864	/nfs/dbraw/zinc/60/98/64/805609864.db2.gz	VSWFPBMNASXFSK-LLVKDONJSA-N	1	0	310.310	-0.380	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c1	ZINC001307781215	805931558	/nfs/dbraw/zinc/93/15/58/805931558.db2.gz	WNANREYTNZVOAO-GXSJLCMTSA-N	1	0	306.269	-0.146	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001318164673	806267706	/nfs/dbraw/zinc/26/77/06/806267706.db2.gz	LWTDLCNMOQGDOQ-NXEZZACHSA-N	1	0	310.314	-0.834	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001318164674	806268071	/nfs/dbraw/zinc/26/80/71/806268071.db2.gz	LWTDLCNMOQGDOQ-UWVGGRQHSA-N	1	0	310.314	-0.834	20	5		DBBDRO
Cc1n[nH]c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001318587022	806315224	/nfs/dbraw/zinc/31/52/24/806315224.db2.gz	ICTPPNFBHOOYMM-SECBINFHSA-N	1	0	310.358	-0.008	20	5		DBBDRO
NC(=O)COC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC001319565651	806393123	/nfs/dbraw/zinc/39/31/23/806393123.db2.gz	QBXHJSXAGKJIMS-UHFFFAOYSA-N	1	0	324.337	-0.277	20	5		DBBDRO
O=C1C[C@@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1	ZINC001322285535	806729521	/nfs/dbraw/zinc/72/95/21/806729521.db2.gz	CIZBSDANNLTDAO-YPMHNXCESA-N	1	0	309.326	-0.636	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(N2CC[NH+](C)CC2)C1	ZINC001322366677	806735652	/nfs/dbraw/zinc/73/56/52/806735652.db2.gz	VEGYUXRFFUGLDJ-UHFFFAOYSA-N	1	0	322.369	-0.442	20	5		DBBDRO
C[NH+]1CCN(C2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1	ZINC001322366580	806735674	/nfs/dbraw/zinc/73/56/74/806735674.db2.gz	QYBKALJVLRPZQF-UHFFFAOYSA-N	1	0	308.342	-0.751	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)C2CCOCC2)c1	ZINC001322485944	806744965	/nfs/dbraw/zinc/74/49/65/806744965.db2.gz	UQFHUCZUSDARPP-QWHCGFSZSA-N	1	0	314.342	-0.471	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC001323237756	806840851	/nfs/dbraw/zinc/84/08/51/806840851.db2.gz	IDMKKDGYOJMYEA-NXEZZACHSA-N	1	0	309.326	-0.079	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000738160345	803937450	/nfs/dbraw/zinc/93/74/50/803937450.db2.gz	ILWPFEOPNCORFB-UHFFFAOYSA-N	1	0	322.369	-0.011	20	5		DBBDRO
CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1	ZINC001284704579	804762116	/nfs/dbraw/zinc/76/21/16/804762116.db2.gz	GVZGXDNJUOBMSW-VXGBXAGGSA-N	1	0	323.353	-0.097	20	5		DBBDRO
CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000802140247	804842328	/nfs/dbraw/zinc/84/23/28/804842328.db2.gz	MHUFJKFHWAPHBM-SNVBAGLBSA-N	1	0	313.314	-0.161	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CO)C[NH+]1CCCC1	ZINC000808220013	804953169	/nfs/dbraw/zinc/95/31/69/804953169.db2.gz	VIZGNEHTCJNLHO-LLVKDONJSA-N	1	0	311.342	-0.327	20	5		DBBDRO
O=C(NCC1(O)C[NH+](CC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001325214901	807052352	/nfs/dbraw/zinc/05/23/52/807052352.db2.gz	VOXLSNWXGLQGGD-VXGBXAGGSA-N	1	0	313.354	-0.759	20	5		DBBDRO
CC1(C)OC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)O1	ZINC000819157610	805123821	/nfs/dbraw/zinc/12/38/21/805123821.db2.gz	ZMYUOAZZSIPJQD-QWRGUYRKSA-N	1	0	300.315	-0.107	20	5		DBBDRO
CC1(C)OC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)O1	ZINC000819157611	805123965	/nfs/dbraw/zinc/12/39/65/805123965.db2.gz	ZMYUOAZZSIPJQD-WDEREUQCSA-N	1	0	300.315	-0.107	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CC[N@@H+]1C1CCOCC1	ZINC001289227861	805219278	/nfs/dbraw/zinc/21/92/78/805219278.db2.gz	XYSXEDYLBXPMAP-NSHDSACASA-N	1	0	324.341	-0.444	20	5		DBBDRO
O=C(NCCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001293303466	805410718	/nfs/dbraw/zinc/41/07/18/805410718.db2.gz	JKDQJEVRHVBNFE-GHMZBOCLSA-N	1	0	310.354	-0.630	20	5		DBBDRO
O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]CC1	ZINC001326052300	807139283	/nfs/dbraw/zinc/13/92/83/807139283.db2.gz	QDYOUXZXNUKIDF-UHFFFAOYSA-N	1	0	306.278	-0.066	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cnc2c(c1)C[NH2+]CC2	ZINC001326323319	807169943	/nfs/dbraw/zinc/16/99/43/807169943.db2.gz	GZBARLVQAYKIJB-UHFFFAOYSA-N	1	0	303.282	-0.134	20	5		DBBDRO
Cn1cc([C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]2[NH3+])cn1	ZINC001326485901	807186990	/nfs/dbraw/zinc/18/69/90/807186990.db2.gz	HMECXUMHKGKKAD-WDEREUQCSA-N	1	0	319.325	-0.522	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC001328508526	807434500	/nfs/dbraw/zinc/43/45/00/807434500.db2.gz	FZBGEZFNYPROCT-LBPRGKRZSA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=C(CC[NH2+]CC[N+](=O)[O-])N1CCN(c2ccccn2)CC1	ZINC000905078682	807444484	/nfs/dbraw/zinc/44/44/84/807444484.db2.gz	AZQXZWZEONFKCG-UHFFFAOYSA-N	1	0	307.354	-0.013	20	5		DBBDRO
CCO[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1C[NH3+]	ZINC001328845687	807475927	/nfs/dbraw/zinc/47/59/27/807475927.db2.gz	CQGBMKBXYYNGFL-ZWNOBZJWSA-N	1	0	324.337	-0.421	20	5		DBBDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC001330519599	807726703	/nfs/dbraw/zinc/72/67/03/807726703.db2.gz	LKGVOACRGHQMDC-JTQLQIEISA-N	1	0	308.338	-0.022	20	5		DBBDRO
C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1	ZINC001334933984	808214097	/nfs/dbraw/zinc/21/40/97/808214097.db2.gz	LCUOOLXRISZJNH-APPZFPTMSA-N	1	0	319.343	-0.935	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC001338866495	808570246	/nfs/dbraw/zinc/57/02/46/808570246.db2.gz	SGEXKMMPUJLVSL-LBPRGKRZSA-N	1	0	323.353	-0.882	20	5		DBBDRO
Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O	ZINC001020139047	814311964	/nfs/dbraw/zinc/31/19/64/814311964.db2.gz	OFCKAVAPDFAIST-FDYHWXHSSA-N	1	0	320.349	-0.213	20	5		DBBDRO
O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCC1	ZINC001274015554	833006525	/nfs/dbraw/zinc/00/65/25/833006525.db2.gz	JOTIBPCJVQEZII-LLGAQUFESA-N	1	0	324.381	-0.074	20	5		DBBDRO
CC(C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001093319115	826119940	/nfs/dbraw/zinc/11/99/40/826119940.db2.gz	WMGSIZDXVYWOHO-VXGBXAGGSA-N	1	0	308.342	-0.175	20	5		DBBDRO
C[C@@H](CN1CC[NH2+]CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001162090075	833074322	/nfs/dbraw/zinc/07/43/22/833074322.db2.gz	FMYGRMNJWPMJNA-VIFPVBQESA-N	1	0	308.342	-0.206	20	5		DBBDRO
C[C@@H](CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)n1	ZINC001162090529	833074375	/nfs/dbraw/zinc/07/43/75/833074375.db2.gz	QLLAEFBMTNQTPR-VIFPVBQESA-N	1	0	308.342	-0.206	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)N1	ZINC001163254434	833142822	/nfs/dbraw/zinc/14/28/22/833142822.db2.gz	NNOHVECNRVUTCH-HZMBPMFUSA-N	1	0	317.305	-0.172	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])c3nncn3c2)N1	ZINC001163254752	833143851	/nfs/dbraw/zinc/14/38/51/833143851.db2.gz	UMWKSXLSJCPECJ-BXKDBHETSA-N	1	0	303.282	-0.373	20	5		DBBDRO
Cc1nn[nH]c1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001163739955	833164879	/nfs/dbraw/zinc/16/48/79/833164879.db2.gz	HIFALXOYDCCZMB-UHFFFAOYSA-N	1	0	322.329	-0.335	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2CC(N3CC(F)C3)C2)nc1C1C[NH2+]C1	ZINC001163758473	833166779	/nfs/dbraw/zinc/16/67/79/833166779.db2.gz	IZJXUMOGPKMTQO-UHFFFAOYSA-N	1	0	308.317	-0.086	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@@H]2C=CS(=O)(=O)C2)ncnc1C1C[NH2+]C1	ZINC001164012576	833189604	/nfs/dbraw/zinc/18/96/04/833189604.db2.gz	JPRUODYWHVJPHP-MRVPVSSYSA-N	1	0	311.323	-0.206	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cc(N(C)S(=O)(=O)CC[NH3+])n1	ZINC001164287220	833200794	/nfs/dbraw/zinc/20/07/94/833200794.db2.gz	MRHVZRQSJWGUDX-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1	ZINC001164491041	833213796	/nfs/dbraw/zinc/21/37/96/833213796.db2.gz	YEWHVJZEILUAMV-VXGBXAGGSA-N	1	0	324.381	-0.194	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1	ZINC001165283954	833236204	/nfs/dbraw/zinc/23/62/04/833236204.db2.gz	GRJRRRRHAUBRIS-OTYXRUKQSA-N	1	0	322.321	-0.206	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(CCNC(=O)C(N)=O)CC1	ZINC001166923849	833285371	/nfs/dbraw/zinc/28/53/71/833285371.db2.gz	PSMSFBCMCMOZMQ-UHFFFAOYSA-N	1	0	324.341	-0.810	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])C[C@H]2C(=O)OC)n1	ZINC001166966900	833287987	/nfs/dbraw/zinc/28/79/87/833287987.db2.gz	AANNODZWWXOGSN-XCBNKYQSSA-N	1	0	324.293	-0.145	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1c[nH]cn1	ZINC001167355594	833296357	/nfs/dbraw/zinc/29/63/57/833296357.db2.gz	RCQBEUKQNOKSJJ-UHFFFAOYSA-N	1	0	321.341	-0.110	20	5		DBBDRO
CCOC(=O)c1cnc(-n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1	ZINC001167788216	833309474	/nfs/dbraw/zinc/30/94/74/833309474.db2.gz	SQUWLDFKFHGOPE-UHFFFAOYSA-N	1	0	307.270	-0.357	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])cc1-n1cncc1C[C@@H]([NH3+])CO	ZINC001169076392	833334289	/nfs/dbraw/zinc/33/42/89/833334289.db2.gz	RNAUKSDDOMNXMP-MRVPVSSYSA-N	1	0	321.293	-0.176	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])ncc1-n1cncc1C[C@@H]([NH3+])CO	ZINC001169076743	833334406	/nfs/dbraw/zinc/33/44/06/833334406.db2.gz	WUVQSMJRMCVUFA-MRVPVSSYSA-N	1	0	321.293	-0.176	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1	ZINC001116419591	828893471	/nfs/dbraw/zinc/89/34/71/828893471.db2.gz	BMWQNSODRQKJIE-UWVGGRQHSA-N	1	0	309.326	-0.079	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1	ZINC001116419593	828893733	/nfs/dbraw/zinc/89/37/33/828893733.db2.gz	BMWQNSODRQKJIE-VHSXEESVSA-N	1	0	309.326	-0.079	20	5		DBBDRO
C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CC[NH+](C)CC1	ZINC001116433357	828894349	/nfs/dbraw/zinc/89/43/49/828894349.db2.gz	VNCFYSJZEAGYGS-JTQLQIEISA-N	1	0	310.358	-0.306	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])c(-n2nnnc2C[NH3+])cc1OC	ZINC001168924642	833331368	/nfs/dbraw/zinc/33/13/68/833331368.db2.gz	OWOMVPUSBGISGT-UHFFFAOYSA-N	1	0	308.254	-0.176	20	5		DBBDRO
COC(=O)[C@@H]1C[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CN1	ZINC001169130164	833335620	/nfs/dbraw/zinc/33/56/20/833335620.db2.gz	KHBZTVGDBBAXMX-BDAKNGLRSA-N	1	0	322.325	-0.613	20	5		DBBDRO
Cc1cc(N)n(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c(=O)c1	ZINC001169303483	833338056	/nfs/dbraw/zinc/33/80/56/833338056.db2.gz	MQKDZPSPNBZZRF-UHFFFAOYSA-N	1	0	317.309	-0.001	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1NCCOCCOCC[NH3+]	ZINC001170505383	833354381	/nfs/dbraw/zinc/35/43/81/833354381.db2.gz	NJXOFBCNPJTKDP-UHFFFAOYSA-N	1	0	313.314	-0.508	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@@H]2C[NH2+]C[C@H]2CO)ncnc1N1CCOCC1	ZINC001170780210	833359896	/nfs/dbraw/zinc/35/98/96/833359896.db2.gz	SQYPRIUABKBTNP-VHSXEESVSA-N	1	0	324.341	-0.786	20	5		DBBDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)n1	ZINC001170870450	833361714	/nfs/dbraw/zinc/36/17/14/833361714.db2.gz	SABBSXGBIUFSKP-HTQZYQBOSA-N	1	0	323.309	-0.348	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC001118794109	829133445	/nfs/dbraw/zinc/13/34/45/829133445.db2.gz	LIDNJVDMOCIXEH-SNVBAGLBSA-N	1	0	309.326	-0.011	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC001119455282	829263245	/nfs/dbraw/zinc/26/32/45/829263245.db2.gz	USPLRIPFYVZCOV-ZYHUDNBSSA-N	1	0	324.385	-0.150	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)n1	ZINC001175128843	833387946	/nfs/dbraw/zinc/38/79/46/833387946.db2.gz	QBTRGNBLSZAWDA-CYBMUJFWSA-N	1	0	311.342	-0.050	20	5		DBBDRO
C[C@](Cn1cccn1)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(N)=O	ZINC001176860648	833426495	/nfs/dbraw/zinc/42/64/95/833426495.db2.gz	OCRYBANFNCKONC-GFCCVEGCSA-N	1	0	307.314	-0.478	20	5		DBBDRO
COc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1	ZINC001126932071	829970070	/nfs/dbraw/zinc/97/00/70/829970070.db2.gz	HDPQHBZATNTZOL-GHMZBOCLSA-N	1	0	309.326	-0.335	20	5		DBBDRO
O=C(NCC[NH2+]CCn1cc(Cl)cn1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936479	829971452	/nfs/dbraw/zinc/97/14/52/829971452.db2.gz	KEIPTXYWPAKANJ-NXEZZACHSA-N	1	0	301.734	-0.093	20	5		DBBDRO
CS(=O)(=O)CC1(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001126936948	829971889	/nfs/dbraw/zinc/97/18/89/829971889.db2.gz	YBKSANVOVBVTCV-NXEZZACHSA-N	1	0	319.383	-0.818	20	5		DBBDRO
Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126943748	829971989	/nfs/dbraw/zinc/97/19/89/829971989.db2.gz	WGLJXOCJWVAFQN-NXEZZACHSA-N	1	0	324.341	-0.664	20	5		DBBDRO
CNC(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001128789071	830130431	/nfs/dbraw/zinc/13/04/31/830130431.db2.gz	DMSYVDBXXNYHLY-UHFFFAOYSA-N	1	0	309.326	-0.270	20	5		DBBDRO
CC[NH+](CC)CC(=O)NCCNCc1c([N+](=O)[O-])ncn1C	ZINC001135507898	831079297	/nfs/dbraw/zinc/07/92/97/831079297.db2.gz	AXQBZEQHBYBIEA-UHFFFAOYSA-N	1	0	312.374	-0.124	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1	ZINC001135847826	831130882	/nfs/dbraw/zinc/13/08/82/831130882.db2.gz	PQKWTVGBXHPECW-UHFFFAOYSA-N	1	0	308.342	-0.451	20	5		DBBDRO
O=C(Cn1cnnn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC001154503010	831883835	/nfs/dbraw/zinc/88/38/35/831883835.db2.gz	MWMUXNCAVYNKSP-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
COC(=O)c1ccnc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-]	ZINC001154770066	831898973	/nfs/dbraw/zinc/89/89/73/831898973.db2.gz	BOEJOSPPNVHPTC-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
CS(=O)(=O)CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001154931364	831908896	/nfs/dbraw/zinc/90/88/96/831908896.db2.gz	FTSGDNIPYCUZLH-UHFFFAOYSA-N	1	0	301.328	-0.472	20	5		DBBDRO
Nc1nc(=O)[nH]cc1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001155266205	831924975	/nfs/dbraw/zinc/92/49/75/831924975.db2.gz	RSZLUUFQSDGZHB-UHFFFAOYSA-N	1	0	304.270	-0.107	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])N1	ZINC001155576670	831941069	/nfs/dbraw/zinc/94/10/69/831941069.db2.gz	RKVKHQQAQHZEBJ-HQJQHLMTSA-N	1	0	313.701	-0.128	20	5		DBBDRO
COC(=O)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CN1	ZINC001156251096	831977329	/nfs/dbraw/zinc/97/73/29/831977329.db2.gz	URSMANCKJZWCQU-IUCAKERBSA-N	1	0	322.325	-0.613	20	5		DBBDRO
O=c1[nH][nH]cc1CCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001156286162	831977570	/nfs/dbraw/zinc/97/75/70/831977570.db2.gz	ZKXGKZOZJCKILZ-QMMMGPOBSA-N	1	0	319.325	-0.005	20	5		DBBDRO
N=c1cc(CN)ncn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001156628504	831993331	/nfs/dbraw/zinc/99/33/31/831993331.db2.gz	WJSHPWNFADVKBX-UHFFFAOYSA-N	1	0	302.298	-0.805	20	5		DBBDRO
CNC(=O)CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001156996009	832014652	/nfs/dbraw/zinc/01/46/52/832014652.db2.gz	KTDFIWYIQLDTMB-UHFFFAOYSA-N	1	0	312.330	-0.940	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@H]2C[C@@H](CO)C2)ncnc1N1CC[NH2+]CC1	ZINC001157458312	832044177	/nfs/dbraw/zinc/04/41/77/832044177.db2.gz	XYAGVNRVMYTOOE-AOOOYVTPSA-N	1	0	308.342	-0.023	20	5		DBBDRO
O=[N+]([O-])c1c(NCCn2cnnc2)ncnc1N1CC[NH2+]CC1	ZINC001158031386	832085634	/nfs/dbraw/zinc/08/56/34/832085634.db2.gz	BICPKIXVNMETPO-UHFFFAOYSA-N	1	0	319.329	-0.502	20	5		DBBDRO
COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001158640159	832127838	/nfs/dbraw/zinc/12/78/38/832127838.db2.gz	XFLHGJPLZGOVDK-SMDDNHRTSA-N	1	0	322.321	-0.040	20	5		DBBDRO
NC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001271765156	832700016	/nfs/dbraw/zinc/70/00/16/832700016.db2.gz	UGJFUUOBLFRJOH-DDHJBXDOSA-N	1	0	312.370	-0.351	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCCN(C)CC[NH3+])n1	ZINC001159442743	832815694	/nfs/dbraw/zinc/81/56/94/832815694.db2.gz	BFNKWKSZSMNEJF-UHFFFAOYSA-N	1	0	311.346	-0.046	20	5		DBBDRO
CN(C)C(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001160097016	832875827	/nfs/dbraw/zinc/87/58/27/832875827.db2.gz	FAJXNLJZCIAVEZ-CHWSQXEVSA-N	1	0	324.381	-0.122	20	5		DBBDRO
COc1cc(NCCN(CC[NH3+])N(O)N=O)ncc1[N+](=O)[O-]	ZINC001161087369	832973607	/nfs/dbraw/zinc/97/36/07/832973607.db2.gz	MISMWBFBXQEBCP-UHFFFAOYSA-N	1	0	315.290	-0.041	20	5		DBBDRO
C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1	ZINC001261246880	834772694	/nfs/dbraw/zinc/77/26/94/834772694.db2.gz	DDNONFAHTQXHFU-WDEREUQCSA-N	1	0	306.322	-0.081	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC2(O)CCOCC2)c1	ZINC001261437897	834784109	/nfs/dbraw/zinc/78/41/09/834784109.db2.gz	OPLHLNAAVTYFTK-LBPRGKRZSA-N	1	0	314.342	-0.327	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1	ZINC001261483346	834792973	/nfs/dbraw/zinc/79/29/73/834792973.db2.gz	QKLZNBYHLWLDAJ-NQBHXWOUSA-N	1	0	314.342	-0.613	20	5		DBBDRO
COCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1	ZINC001263823347	834987601	/nfs/dbraw/zinc/98/76/01/834987601.db2.gz	LFOWNIBYYHKAJN-AOOOYVTPSA-N	1	0	311.342	-0.041	20	5		DBBDRO
CC(C)N(C)C(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001264985212	835063216	/nfs/dbraw/zinc/06/32/16/835063216.db2.gz	QKHFAEQSQIZYJO-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1	ZINC001205224105	835338092	/nfs/dbraw/zinc/33/80/92/835338092.db2.gz	NMHPDWIHIABYAJ-CHWSQXEVSA-N	1	0	324.381	-0.242	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn(C)cn1	ZINC001267362438	835494010	/nfs/dbraw/zinc/49/40/10/835494010.db2.gz	HSGZLKNBOLSVFM-UHFFFAOYSA-N	1	0	321.341	-0.076	20	5		DBBDRO
CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]n1	ZINC001268461381	835699286	/nfs/dbraw/zinc/69/92/86/835699286.db2.gz	QOGPGTMGXGLMDO-UHFFFAOYSA-N	1	0	322.329	-0.302	20	5		DBBDRO
CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001528574562	1014442287	/nfs/dbraw/zinc/44/22/87/1014442287.db2.gz	JSHPJHABILAFJK-GHMZBOCLSA-N	1	0	312.370	-0.432	20	5		DBBDRO
CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001223114542	979537060	/nfs/dbraw/zinc/53/70/60/979537060.db2.gz	NLGSAAWWTWBWJL-VXGBXAGGSA-N	1	0	312.370	-0.384	20	5		DBBDRO
C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCC[N+](C)(C)C	ZINC001224775227	979584436	/nfs/dbraw/zinc/58/44/36/979584436.db2.gz	JVDJIOYBNGGQPW-NSHDSACASA-N	1	0	324.405	-0.455	20	5		DBBDRO
C[NH+](C)CCn1nccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001344869753	980017862	/nfs/dbraw/zinc/01/78/62/980017862.db2.gz	CCLDSXGUFBJDMN-UHFFFAOYSA-N	1	0	308.302	-0.417	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2cccnc2)c1	ZINC001346135849	980113336	/nfs/dbraw/zinc/11/33/36/980113336.db2.gz	GYVGRVOHPNULHF-CHWSQXEVSA-N	1	0	307.310	-0.130	20	5		DBBDRO
NC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOCC1	ZINC001347138392	980198848	/nfs/dbraw/zinc/19/88/48/980198848.db2.gz	QVJAVHXNCMBISJ-UHFFFAOYSA-N	1	0	310.310	-0.619	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)c3c([N+](=O)[O-])cnn3C)C2)CC1	ZINC001347916582	980253415	/nfs/dbraw/zinc/25/34/15/980253415.db2.gz	ZMXFZGVOOTWIPR-UHFFFAOYSA-N	1	0	322.369	-0.210	20	5		DBBDRO
C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC001348110672	980260959	/nfs/dbraw/zinc/26/09/59/980260959.db2.gz	LDFOMOFICFXTAR-QMMMGPOBSA-N	1	0	303.344	-0.442	20	5		DBBDRO
O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1	ZINC001348305868	980278215	/nfs/dbraw/zinc/27/82/15/980278215.db2.gz	AMHPQVABOHILLU-LLVKDONJSA-N	1	0	306.322	-0.268	20	5		DBBDRO
CCC[N@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001355591903	980901331	/nfs/dbraw/zinc/90/13/31/980901331.db2.gz	LCLVEFMJKSFTJL-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1	ZINC001540507897	1015524020	/nfs/dbraw/zinc/52/40/20/1015524020.db2.gz	CUGRTDDWYSJYEG-UHFFFAOYSA-N	1	0	316.749	-0.052	20	5		DBBDRO
COC[C@@](C)([NH3+])CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-]	ZINC001591370052	1016493772	/nfs/dbraw/zinc/49/37/72/1016493772.db2.gz	IUQJMVWNJYPYME-NSHDSACASA-N	1	0	308.302	-0.054	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001443897683	1007957855	/nfs/dbraw/zinc/95/78/55/1007957855.db2.gz	OBKWSFLKLVZCOW-NSHDSACASA-N	1	0	323.353	-0.882	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC001470287379	1009730545	/nfs/dbraw/zinc/73/05/45/1009730545.db2.gz	XFCNJSMOTMOBIJ-NSHDSACASA-N	1	0	324.341	-0.756	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	ZINC001473724739	1009942289	/nfs/dbraw/zinc/94/22/89/1009942289.db2.gz	WWSVERZBJWDQHR-AOOOYVTPSA-N	1	0	307.310	-0.354	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)n1	ZINC001449352632	1010452087	/nfs/dbraw/zinc/45/20/87/1010452087.db2.gz	BULAVYIPUSISDD-SNVBAGLBSA-N	1	0	311.342	-0.095	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@H+](C)CCO	ZINC001454165332	1011879827	/nfs/dbraw/zinc/87/98/27/1011879827.db2.gz	JKYBFFGUDPDLKY-UHFFFAOYSA-N	1	0	313.358	-0.128	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001455054626	1012202435	/nfs/dbraw/zinc/20/24/35/1012202435.db2.gz	HDRXBUUPCSVZDR-CQSZACIVSA-N	1	0	324.337	-0.719	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccns1	ZINC001484482284	1012706223	/nfs/dbraw/zinc/70/62/23/1012706223.db2.gz	JOHBLCBCPRSFHX-GHMZBOCLSA-N	1	0	314.367	-0.281	20	5		DBBDRO
CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(N)=O	ZINC001497369105	1017354375	/nfs/dbraw/zinc/35/43/75/1017354375.db2.gz	XURYLBJIIXVAGE-UHFFFAOYSA-N	1	0	312.330	-0.858	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC001603335983	1018165254	/nfs/dbraw/zinc/16/52/54/1018165254.db2.gz	JPTGKOVIHYRAND-WDEREUQCSA-N	1	0	324.341	-0.756	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1	ZINC001604856199	1018464504	/nfs/dbraw/zinc/46/45/04/1018464504.db2.gz	VWTXNASWBDIRCP-GFCCVEGCSA-N	1	0	320.313	-0.352	20	5		DBBDRO
CC[N@H+](C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001575142309	1019438127	/nfs/dbraw/zinc/43/81/27/1019438127.db2.gz	SPFOSDRGBWUWQM-NXEZZACHSA-N	1	0	300.359	-0.386	20	5		DBBDRO
CN(C(=O)CN1C[C@H](O)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1	ZINC001618438611	1019796434	/nfs/dbraw/zinc/79/64/34/1019796434.db2.gz	MKMDGEWWNNKAHJ-MFKMUULPSA-N	1	0	309.322	-0.157	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCc1c[nH]nn1)C2	ZINC001578030039	1020172006	/nfs/dbraw/zinc/17/20/06/1020172006.db2.gz	NEJLSPCJPLBJDT-VXGBXAGGSA-N	1	0	320.353	-0.453	20	5		DBBDRO
CNc1nccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1[N+](=O)[O-]	ZINC001578763572	1020290086	/nfs/dbraw/zinc/29/00/86/1020290086.db2.gz	KRNNQBDKDFGEKX-VIFPVBQESA-N	1	0	308.342	-0.254	20	5		DBBDRO
COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2CO)cc([N+](=O)[O-])c1	ZINC001578850954	1020319363	/nfs/dbraw/zinc/31/93/63/1020319363.db2.gz	VVEGMVKJARPQPX-LBPRGKRZSA-N	1	0	323.305	-0.212	20	5		DBBDRO
COc1cc(OCC(=O)NC2(C[NH3+])COC2)ccc1[N+](=O)[O-]	ZINC001579171557	1020388396	/nfs/dbraw/zinc/38/83/96/1020388396.db2.gz	YHJJIBSELGKVQX-UHFFFAOYSA-N	1	0	311.294	-0.174	20	5		DBBDRO
C[C@@H](O)[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC001579417185	1020448228	/nfs/dbraw/zinc/44/82/28/1020448228.db2.gz	TUCKKVXXZXWRMC-MFKMUULPSA-N	1	0	308.338	-0.049	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)n1	ZINC001579970213	1020606613	/nfs/dbraw/zinc/60/66/13/1020606613.db2.gz	RXJAWQHGGNCIBM-JGVFFNPUSA-N	1	0	301.328	-0.689	20	5		DBBDRO
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@@H]1CC[NH2+]C1	ZINC001580547666	1020746900	/nfs/dbraw/zinc/74/69/00/1020746900.db2.gz	BDCXJMDGQGAUMS-MRVPVSSYSA-N	1	0	318.289	-0.331	20	5		DBBDRO
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1O	ZINC001580874927	1020811698	/nfs/dbraw/zinc/81/16/98/1020811698.db2.gz	PIAXNKAALXCPOQ-RKDXNWHRSA-N	1	0	319.314	-0.265	20	5		DBBDRO
O=[N+]([O-])c1cnn(CCNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1	ZINC001580876821	1020812132	/nfs/dbraw/zinc/81/21/32/1020812132.db2.gz	WJLXXIOEQWYOOB-SNVBAGLBSA-N	1	0	303.344	-0.537	20	5		DBBDRO
C[NH+]1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001583311530	1020987652	/nfs/dbraw/zinc/98/76/52/1020987652.db2.gz	URIMEUXDXZSBML-LLGAQUFESA-N	1	0	324.381	-0.218	20	5		DBBDRO
C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)CN1CCO	ZINC001559215443	1023984529	/nfs/dbraw/zinc/98/45/29/1023984529.db2.gz	AXWWMGNREUJNAM-ZJUUUORDSA-N	1	0	323.353	-0.020	20	5		DBBDRO
CC[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001560166580	1024004071	/nfs/dbraw/zinc/00/40/71/1024004071.db2.gz	KSTOQSBYZMKAFU-NWDGAFQWSA-N	1	0	311.342	-0.247	20	5		DBBDRO
C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C1	ZINC001567120562	1024528769	/nfs/dbraw/zinc/52/87/69/1024528769.db2.gz	QQYYQTUZYYFWFQ-UHFFFAOYSA-N	1	0	317.309	-0.044	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC001567317856	1024627712	/nfs/dbraw/zinc/62/77/12/1024627712.db2.gz	YWBRXTPRIKTNEN-JSGCOSHPSA-N	1	0	309.322	-0.189	20	5		DBBDRO
CN(CCN1CC[NH+](CCCO)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001567717847	1024813778	/nfs/dbraw/zinc/81/37/78/1024813778.db2.gz	MCEINGRAPHJAEN-CHWSQXEVSA-N	1	0	314.386	-0.890	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CO)C[NH+]1CCCC1	ZINC001569932631	1025419360	/nfs/dbraw/zinc/41/93/60/1025419360.db2.gz	WWZRUHFBBDOCTE-LLVKDONJSA-N	1	0	311.342	-0.327	20	5		DBBDRO
COCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1	ZINC000563379114	412489682	/nfs/dbraw/zinc/48/96/82/412489682.db2.gz	VOFAROFVYZIOTG-VIFPVBQESA-N	1	0	309.326	0.023	20	5		DBBDRO
Nc1nccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-]	ZINC000594385514	412522550	/nfs/dbraw/zinc/52/25/50/412522550.db2.gz	GGQHEBWTWGIDJL-DTWKUNHWSA-N	1	0	307.310	-0.537	20	5		DBBDRO
NC(=O)[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000276433373	138095582	/nfs/dbraw/zinc/09/55/82/138095582.db2.gz	KBZRXPMPYRKRPL-CQSZACIVSA-N	1	0	322.321	-0.155	20	5		DBBDRO
NC(=O)[C@]1(O)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000276433370	138095714	/nfs/dbraw/zinc/09/57/14/138095714.db2.gz	KBZRXPMPYRKRPL-AWEZNQCLSA-N	1	0	322.321	-0.155	20	5		DBBDRO
O=C1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C2CC2)N1	ZINC000342027673	138117701	/nfs/dbraw/zinc/11/77/01/138117701.db2.gz	XFYRSLXBCJANNK-OBJOEFQTSA-N	1	0	323.353	-0.201	20	5		DBBDRO
CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000342368868	138123403	/nfs/dbraw/zinc/12/34/03/138123403.db2.gz	IRRXQMXTLCCHAX-ONGXEEELSA-N	1	0	312.330	-0.845	20	5		DBBDRO
C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1	ZINC000358020255	138148082	/nfs/dbraw/zinc/14/80/82/138148082.db2.gz	DNLVSCGJDJWAAA-GFCCVEGCSA-N	1	0	324.385	-0.067	20	5		DBBDRO
CS(=O)(=O)NCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000373277501	138172332	/nfs/dbraw/zinc/17/23/32/138172332.db2.gz	YQEBEHZJIFFIRV-UHFFFAOYSA-N	1	0	317.371	-0.023	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000372934242	138170178	/nfs/dbraw/zinc/17/01/78/138170178.db2.gz	ROZFRQJLMNRBMY-VXGBXAGGSA-N	1	0	323.353	-0.151	20	5		DBBDRO
C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000132259711	283572536	/nfs/dbraw/zinc/57/25/36/283572536.db2.gz	GVHXWNVBIJOZPS-VIFPVBQESA-N	1	0	303.340	-0.157	20	5		DBBDRO
CC(C)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000564565724	284062129	/nfs/dbraw/zinc/06/21/29/284062129.db2.gz	WNJGLWRHUQOOKM-NWDGAFQWSA-N	1	0	311.342	-0.249	20	5		DBBDRO
Nc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000564739583	284066233	/nfs/dbraw/zinc/06/62/33/284066233.db2.gz	JZRBUTYMAIOCMR-WPRPVWTQSA-N	1	0	319.321	-0.439	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(CO)CO	ZINC000157514257	374287460	/nfs/dbraw/zinc/28/74/60/374287460.db2.gz	SUUVVPFFZIMYBT-LLVKDONJSA-N	1	0	302.331	-0.925	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000187263183	374294454	/nfs/dbraw/zinc/29/44/54/374294454.db2.gz	NFZIDCAVCSHPEA-SECBINFHSA-N	1	0	311.342	-0.225	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@@H](C(N)=O)C2)c1	ZINC000360143124	374469623	/nfs/dbraw/zinc/46/96/23/374469623.db2.gz	HDTSEYAXQWQUCH-SECBINFHSA-N	1	0	308.294	-0.355	20	5		DBBDRO
C[NH+](C)[C@@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1	ZINC000360355482	374520459	/nfs/dbraw/zinc/52/04/59/374520459.db2.gz	YXFAVMIJVHFOEF-LLVKDONJSA-N	1	0	314.371	-0.260	20	5		DBBDRO
Cc1[nH]nc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000588863600	374769068	/nfs/dbraw/zinc/76/90/68/374769068.db2.gz	RGBDITXRECXCIV-VHSXEESVSA-N	1	0	309.326	-0.093	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363195370	375042338	/nfs/dbraw/zinc/04/23/38/375042338.db2.gz	BQYYQWNCIHTYAW-PWSUYJOCSA-N	1	0	309.326	-0.229	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])n1	ZINC000353263486	375070362	/nfs/dbraw/zinc/07/03/62/375070362.db2.gz	UYIYABYLEXWOFY-UHFFFAOYSA-N	1	0	303.344	-0.159	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000290184066	375400124	/nfs/dbraw/zinc/40/01/24/375400124.db2.gz	PVSGAJCSXFOUDT-QWRGUYRKSA-N	1	0	306.322	-0.176	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000570741276	375386118	/nfs/dbraw/zinc/38/61/18/375386118.db2.gz	XWIAEWCSRFEZPA-CHWSQXEVSA-N	1	0	318.333	-0.092	20	5		DBBDRO
C[NH+](C)C[C@H](CO)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000589101399	375451458	/nfs/dbraw/zinc/45/14/58/375451458.db2.gz	BTRNONZYQXXPLT-MRVPVSSYSA-N	1	0	318.355	-0.423	20	5		DBBDRO
COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000264489023	375531513	/nfs/dbraw/zinc/53/15/13/375531513.db2.gz	JCLPBGPMGOJYTI-NSHDSACASA-N	1	0	324.337	-0.407	20	5		DBBDRO
C[NH+](C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1	ZINC000042741790	375532947	/nfs/dbraw/zinc/53/29/47/375532947.db2.gz	DGHQSFSAHDJNJW-UHFFFAOYSA-N	1	0	309.326	-0.231	20	5		DBBDRO
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000566203528	375537439	/nfs/dbraw/zinc/53/74/39/375537439.db2.gz	IWEPAZVIXQVLFI-QMMMGPOBSA-N	1	0	310.314	-0.755	20	5		DBBDRO
C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)NCC[NH+](C)C	ZINC000590371188	375527965	/nfs/dbraw/zinc/52/79/65/375527965.db2.gz	HHSJCZXPBGYFLO-VIFPVBQESA-N	1	0	311.342	-0.271	20	5		DBBDRO
NC(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000566489870	375593386	/nfs/dbraw/zinc/59/33/86/375593386.db2.gz	CQLKZTWZRJAOCZ-NXEZZACHSA-N	1	0	319.321	-0.558	20	5		DBBDRO
C[NH+](C)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O	ZINC000590586318	375664596	/nfs/dbraw/zinc/66/45/96/375664596.db2.gz	KZJNFJOLENWETD-RYUDHWBXSA-N	1	0	315.351	-0.110	20	5		DBBDRO
C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000591749081	375745436	/nfs/dbraw/zinc/74/54/36/375745436.db2.gz	FSUWRYOZDYLPFF-RAIGVLPGSA-N	1	0	314.342	-0.064	20	5		DBBDRO
[NH3+]CCOCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000592144894	375781674	/nfs/dbraw/zinc/78/16/74/375781674.db2.gz	KHGUQLUTBGHIKG-JTQLQIEISA-N	1	0	309.326	-0.022	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])n1	ZINC000592389780	375797733	/nfs/dbraw/zinc/79/77/33/375797733.db2.gz	LGCNRUMUEFDHMB-YUMQZZPRSA-N	1	0	321.334	-0.211	20	5		DBBDRO
COC[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592430699	375805934	/nfs/dbraw/zinc/80/59/34/375805934.db2.gz	BTFDEFNZLMGODP-MNOVXSKESA-N	1	0	300.311	-0.069	20	5		DBBDRO
C[C@@H]([NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000592547172	375810260	/nfs/dbraw/zinc/81/02/60/375810260.db2.gz	RQXVKFKGKJLDJZ-MRVPVSSYSA-N	1	0	316.339	-0.664	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000592875065	375825673	/nfs/dbraw/zinc/82/56/73/375825673.db2.gz	VSERZYUTYWWTES-QMMMGPOBSA-N	1	0	310.314	-0.490	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000592881627	375826180	/nfs/dbraw/zinc/82/61/80/375826180.db2.gz	UTTFKTZMYRUNKN-JTQLQIEISA-N	1	0	324.341	-0.630	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	ZINC000593235494	375852394	/nfs/dbraw/zinc/85/23/94/375852394.db2.gz	TXUKXQWYNAKOON-UHFFFAOYSA-N	1	0	323.353	-0.221	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1	ZINC000593577856	375871513	/nfs/dbraw/zinc/87/15/13/375871513.db2.gz	OSPYZNWMLPTNKX-LLVKDONJSA-N	1	0	316.339	-0.665	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CCN2C1=O	ZINC000594878371	375966280	/nfs/dbraw/zinc/96/62/80/375966280.db2.gz	HAJVNBWQVNRPOE-SCZZXKLOSA-N	1	0	321.293	-0.921	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1	ZINC000595609639	376024360	/nfs/dbraw/zinc/02/43/60/376024360.db2.gz	ZPJQNFGPNZCLDB-AAEUAGOBSA-N	1	0	321.341	-0.234	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000597575485	376150234	/nfs/dbraw/zinc/15/02/34/376150234.db2.gz	ZFFVEWMJHATFMK-GFCCVEGCSA-N	1	0	312.330	-0.899	20	5		DBBDRO
Nc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(N)[nH+]1	ZINC000599020418	376234895	/nfs/dbraw/zinc/23/48/95/376234895.db2.gz	PCUQRYWADIAOSM-UHFFFAOYSA-N	1	0	317.313	-0.673	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1	ZINC000599097905	376242717	/nfs/dbraw/zinc/24/27/17/376242717.db2.gz	MTHNFPLHECLMHK-BDAKNGLRSA-N	1	0	315.355	-0.157	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)n1	ZINC000599099283	376243078	/nfs/dbraw/zinc/24/30/78/376243078.db2.gz	CMOOKXKNRAAHMZ-IUCAKERBSA-N	1	0	315.355	-0.299	20	5		DBBDRO
C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599097460	376243112	/nfs/dbraw/zinc/24/31/12/376243112.db2.gz	IQYKNJUWWUOIQN-MRVPVSSYSA-N	1	0	303.344	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]CC2(C)C)n1	ZINC000599098425	376243352	/nfs/dbraw/zinc/24/33/52/376243352.db2.gz	UDUKOWNTPHPHQT-UHFFFAOYSA-N	1	0	303.344	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)n1	ZINC000599106832	376244123	/nfs/dbraw/zinc/24/41/23/376244123.db2.gz	HPCXZJHCNCAODR-QMMMGPOBSA-N	1	0	303.344	-0.251	20	5		DBBDRO
[NH3+]CC1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCOCC1	ZINC000599103081	376244376	/nfs/dbraw/zinc/24/43/76/376244376.db2.gz	MTPDGFQGVNEAIF-UHFFFAOYSA-N	1	0	316.339	-0.224	20	5		DBBDRO
C[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[NH2+]1	ZINC000599105759	376244600	/nfs/dbraw/zinc/24/46/00/376244600.db2.gz	QBGOFADZQPBFQB-YUMQZZPRSA-N	1	0	303.344	-0.253	20	5		DBBDRO
CN(CCOCC[NH3+])S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000599112244	376247604	/nfs/dbraw/zinc/24/76/04/376247604.db2.gz	XAQUJRAZADWADX-UHFFFAOYSA-N	1	0	304.328	-0.414	20	5		DBBDRO
C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599242722	376256396	/nfs/dbraw/zinc/25/63/96/376256396.db2.gz	QLUZKSILGOXTQZ-QMMMGPOBSA-N	1	0	305.360	-0.053	20	5		DBBDRO
C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+](C)C	ZINC000599311772	376274147	/nfs/dbraw/zinc/27/41/47/376274147.db2.gz	LUJXLHHFWWJEGJ-MRVPVSSYSA-N	1	0	305.360	-0.196	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CCN2C1=O	ZINC000568415398	376505919	/nfs/dbraw/zinc/50/59/19/376505919.db2.gz	RTCDIXFROAAKKZ-IUCAKERBSA-N	1	0	317.309	-0.614	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CCN2C1=O	ZINC000568415397	376506564	/nfs/dbraw/zinc/50/65/64/376506564.db2.gz	RTCDIXFROAAKKZ-DTWKUNHWSA-N	1	0	317.309	-0.614	20	5		DBBDRO
[NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000568864504	376610293	/nfs/dbraw/zinc/61/02/93/376610293.db2.gz	TWGMDFONXMUGKV-SECBINFHSA-N	1	0	324.341	-0.222	20	5		DBBDRO
COC[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000572601935	377026677	/nfs/dbraw/zinc/02/66/77/377026677.db2.gz	BTFDEFNZLMGODP-QWRGUYRKSA-N	1	0	300.311	-0.069	20	5		DBBDRO
C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000292202766	377174869	/nfs/dbraw/zinc/17/48/69/377174869.db2.gz	NWLGBRDLCQOKNT-JTQLQIEISA-N	1	0	317.371	-0.243	20	5		DBBDRO
CCNC(=O)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C	ZINC000292937882	377225161	/nfs/dbraw/zinc/22/51/61/377225161.db2.gz	BWULFBNTSLREOD-NEPJUHHUSA-N	1	0	313.358	-0.098	20	5		DBBDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1	ZINC000356890519	378115427	/nfs/dbraw/zinc/11/54/27/378115427.db2.gz	DEILHVBZMBMIIN-ZJUUUORDSA-N	1	0	312.330	-0.900	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000574771467	378335553	/nfs/dbraw/zinc/33/55/53/378335553.db2.gz	XFFBNLZHTFPNAK-VXGBXAGGSA-N	1	0	304.306	-0.021	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000358188808	378409763	/nfs/dbraw/zinc/40/97/63/378409763.db2.gz	CAYRMNZSIJXNRG-GFCCVEGCSA-N	1	0	315.351	-0.060	20	5		DBBDRO
C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248568119	378430922	/nfs/dbraw/zinc/43/09/22/378430922.db2.gz	FKKHZDKTNBZTCP-DGCLKSJQSA-N	1	0	311.342	-0.118	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000268362366	378625373	/nfs/dbraw/zinc/62/53/73/378625373.db2.gz	CZNORUFWKZUTGU-UHFFFAOYSA-N	1	0	323.357	-0.433	20	5		DBBDRO
O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[NH2+]C1	ZINC000582350475	379637943	/nfs/dbraw/zinc/63/79/43/379637943.db2.gz	FNDTXCYPLNQVMI-UHFFFAOYSA-N	1	0	308.294	-0.822	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000064333860	379792277	/nfs/dbraw/zinc/79/22/77/379792277.db2.gz	RCVDTIWNOSQNDL-WDEREUQCSA-N	1	0	309.326	-0.229	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1	ZINC000619254235	379813553	/nfs/dbraw/zinc/81/35/53/379813553.db2.gz	KHVKXDORSLMEOC-CYBMUJFWSA-N	1	0	311.342	-0.143	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1	ZINC000619254236	379814937	/nfs/dbraw/zinc/81/49/37/379814937.db2.gz	KHVKXDORSLMEOC-ZDUSSCGKSA-N	1	0	311.342	-0.143	20	5		DBBDRO
C[NH+]1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000044681600	380375121	/nfs/dbraw/zinc/37/51/21/380375121.db2.gz	VZFHPHHBBVOLNY-UHFFFAOYSA-N	1	0	310.358	-0.455	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](OCCO)C2)c1	ZINC000075745434	380428066	/nfs/dbraw/zinc/42/80/66/380428066.db2.gz	MOVRCFSCPUDSQW-OLZOCXBDSA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=C(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])NCCO	ZINC000581943437	382191161	/nfs/dbraw/zinc/19/11/61/382191161.db2.gz	GWVFFXMMBKTDII-SNVBAGLBSA-N	1	0	313.310	-0.967	20	5		DBBDRO
NS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000107571231	382391349	/nfs/dbraw/zinc/39/13/49/382391349.db2.gz	VICJHBHZHJAUTG-IUCAKERBSA-N	1	0	312.351	-0.102	20	5		DBBDRO
O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1	ZINC000423311974	382529007	/nfs/dbraw/zinc/52/90/07/382529007.db2.gz	UUNUFPMCHPKGHG-UHFFFAOYSA-N	1	0	318.333	-0.089	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000619874035	382526055	/nfs/dbraw/zinc/52/60/55/382526055.db2.gz	WWWBEMZZXZJOTJ-LLVKDONJSA-N	1	0	308.342	-0.703	20	5		DBBDRO
Cc1nn(C)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-]	ZINC000619874065	382526776	/nfs/dbraw/zinc/52/67/76/382526776.db2.gz	XOAQQCRIZJZVQJ-NSHDSACASA-N	1	0	322.369	-0.244	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000318791998	382573541	/nfs/dbraw/zinc/57/35/41/382573541.db2.gz	ZHHVSCHWQUSJIX-SNVBAGLBSA-N	1	0	308.342	-0.452	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1	ZINC000124368347	382590042	/nfs/dbraw/zinc/59/00/42/382590042.db2.gz	BSDUXGXDOLTODS-LLVKDONJSA-N	1	0	314.367	-0.142	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000330713410	382596523	/nfs/dbraw/zinc/59/65/23/382596523.db2.gz	ZFFQAILLFUJCOP-NSHDSACASA-N	1	0	324.385	-0.112	20	5		DBBDRO
O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000600099142	382631137	/nfs/dbraw/zinc/63/11/37/382631137.db2.gz	LPHOEJVPRTWFFH-LBPRGKRZSA-N	1	0	322.321	-0.284	20	5		DBBDRO
CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000353884742	382642045	/nfs/dbraw/zinc/64/20/45/382642045.db2.gz	ZTBNLJSYAJGMSJ-LBPRGKRZSA-N	1	0	324.385	-0.067	20	5		DBBDRO
CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173617482	382688698	/nfs/dbraw/zinc/68/86/98/382688698.db2.gz	ZGYIVZOIBVJGEQ-NWDGAFQWSA-N	1	0	311.342	-0.247	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c1	ZINC000274511097	130243127	/nfs/dbraw/zinc/24/31/27/130243127.db2.gz	VFJLEEHQBHVWFW-AVGNSLFASA-N	1	0	312.322	-0.238	20	5		DBBDRO
COCCC[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000275460135	130323668	/nfs/dbraw/zinc/32/36/68/130323668.db2.gz	NAGCJIJJTIGFRI-GFCCVEGCSA-N	1	0	302.331	-0.517	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000195332797	392023144	/nfs/dbraw/zinc/02/31/44/392023144.db2.gz	QBABDMFCASYNBG-UHFFFAOYSA-N	1	0	324.385	-0.194	20	5		DBBDRO
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000428981365	392148006	/nfs/dbraw/zinc/14/80/06/392148006.db2.gz	YUMSSQFBCLGTKZ-SNVBAGLBSA-N	1	0	324.341	-0.895	20	5		DBBDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000429790372	392150479	/nfs/dbraw/zinc/15/04/79/392150479.db2.gz	TVRUKWNRZAQVKW-TUAOUCFPSA-N	1	0	311.342	-0.344	20	5		DBBDRO
C[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1	ZINC000352414765	392159177	/nfs/dbraw/zinc/15/91/77/392159177.db2.gz	JYFZWNZURPQXET-UHFFFAOYSA-N	1	0	322.369	-0.061	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@]1(O)C[NH+]2CCC1CC2	ZINC000556851255	392160336	/nfs/dbraw/zinc/16/03/36/392160336.db2.gz	CELYLEQCXNNLCN-AWEZNQCLSA-N	1	0	323.353	-0.246	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000394451270	392363291	/nfs/dbraw/zinc/36/32/91/392363291.db2.gz	LTJOJKPKYUQWPE-SNVBAGLBSA-N	1	0	314.367	-0.223	20	5		DBBDRO
C[C@@H](C[NH3+])NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000262460843	392491984	/nfs/dbraw/zinc/49/19/84/392491984.db2.gz	JUMXSFDDHJXRLE-ZETCQYMHSA-N	1	0	317.323	-0.009	20	5		DBBDRO
CC[C@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000266182808	392967501	/nfs/dbraw/zinc/96/75/01/392967501.db2.gz	CVKUZNWXPLYWHZ-SNVBAGLBSA-N	1	0	323.353	-0.018	20	5		DBBDRO
CC[C@@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000266182807	392967663	/nfs/dbraw/zinc/96/76/63/392967663.db2.gz	CVKUZNWXPLYWHZ-JTQLQIEISA-N	1	0	323.353	-0.018	20	5		DBBDRO
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000184389928	392990797	/nfs/dbraw/zinc/99/07/97/392990797.db2.gz	HMWCADVKAWCHDL-LBPRGKRZSA-N	1	0	324.385	-0.067	20	5		DBBDRO
O=C1NC(=O)[C@@]2(CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)N1	ZINC000192679121	393408884	/nfs/dbraw/zinc/40/88/84/393408884.db2.gz	JHLURLLEXXANAL-LBPRGKRZSA-N	1	0	308.298	-0.535	20	5		DBBDRO
CNc1nccc(C(=O)NCC[N@H+](C)CCOC)c1[N+](=O)[O-]	ZINC000563612780	411741359	/nfs/dbraw/zinc/74/13/59/411741359.db2.gz	OJIVHRIFWFIKDV-UHFFFAOYSA-N	1	0	311.342	0.340	20	5		DBBDRO
C[NH+]1CCN(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1	ZINC000357311214	412306260	/nfs/dbraw/zinc/30/62/60/412306260.db2.gz	GYTVDCKNYOXOLT-UHFFFAOYSA-N	1	0	322.369	0.138	20	5		DBBDRO
C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000361088435	418942722	/nfs/dbraw/zinc/94/27/22/418942722.db2.gz	ZICALIUGPAHNPZ-LLVKDONJSA-N	1	0	310.310	-0.428	20	5		DBBDRO
[NH3+][C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	ZINC000429086016	265982717	/nfs/dbraw/zinc/98/27/17/265982717.db2.gz	SYPMIIMJFOKUEK-NSHDSACASA-N	1	0	321.337	-0.046	20	5		DBBDRO
COC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1	ZINC000434797808	266057855	/nfs/dbraw/zinc/05/78/55/266057855.db2.gz	SYHIBWLGJXYUKX-AGIUHOORSA-N	1	0	314.342	-0.064	20	5		DBBDRO
CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000516762813	266284986	/nfs/dbraw/zinc/28/49/86/266284986.db2.gz	PTAUROUAFRBIQR-QJPTWQEYSA-N	1	0	300.315	-0.454	20	5		DBBDRO
C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000517936195	266297869	/nfs/dbraw/zinc/29/78/69/266297869.db2.gz	SFVQNOGSFRBMJD-OUAUKWLOSA-N	1	0	300.311	-0.334	20	5		DBBDRO
C[C@H](C[NH3+])NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000347694927	279294846	/nfs/dbraw/zinc/29/48/46/279294846.db2.gz	UXOGJMQSIUSJIP-SECBINFHSA-N	1	0	309.326	-0.143	20	5		DBBDRO
COC[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000566233863	332268885	/nfs/dbraw/zinc/26/88/85/332268885.db2.gz	GOYKWDSYFKWNFE-VXGBXAGGSA-N	1	0	300.311	-0.069	20	5		DBBDRO
CSCC[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000573966865	332299995	/nfs/dbraw/zinc/29/99/95/332299995.db2.gz	OANRTCRBYZXFFA-KOLCDFICSA-N	1	0	304.372	-0.144	20	5		DBBDRO
CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000577869124	332312207	/nfs/dbraw/zinc/31/22/07/332312207.db2.gz	WQORSDUPLIKFRH-MRVPVSSYSA-N	1	0	303.344	-0.206	20	5		DBBDRO
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)NCC[NH+](C)C	ZINC000583285357	337305451	/nfs/dbraw/zinc/30/54/51/337305451.db2.gz	UKCMALIMJVSKAK-VIFPVBQESA-N	1	0	323.353	-0.027	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000584540702	337359597	/nfs/dbraw/zinc/35/95/97/337359597.db2.gz	INZQTKXURNKBLI-RYUDHWBXSA-N	1	0	318.333	-0.092	20	5		DBBDRO
CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1OC	ZINC000573795891	341739560	/nfs/dbraw/zinc/73/95/60/341739560.db2.gz	SJSXBBSHYBDZOH-XQHKEYJVSA-N	1	0	314.342	-0.066	20	5		DBBDRO
CC(C)(C(=O)NCCN1CC[NH2+]CC1)n1cc([N+](=O)[O-])cn1	ZINC000236707649	518523645	/nfs/dbraw/zinc/52/36/45/518523645.db2.gz	NUCNDIQGBATITO-UHFFFAOYSA-N	1	0	310.358	-0.452	20	5		DBBDRO
CCN1C(=O)[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000364825854	521530758	/nfs/dbraw/zinc/53/07/58/521530758.db2.gz	CSQPNOBGZPGTBM-NSHDSACASA-N	1	0	322.325	-0.240	20	5		DBBDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247546205	524011403	/nfs/dbraw/zinc/01/14/03/524011403.db2.gz	PNJBIKDHWAKXPV-NEPJUHHUSA-N	1	0	311.342	-0.295	20	5		DBBDRO
CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247707389	524081616	/nfs/dbraw/zinc/08/16/16/524081616.db2.gz	ZGYIVZOIBVJGEQ-NEPJUHHUSA-N	1	0	311.342	-0.247	20	5		DBBDRO
Cc1nn(CCC(=O)NCCN2CC[NH2+]CC2)c(C)c1[N+](=O)[O-]	ZINC000237872100	526278139	/nfs/dbraw/zinc/27/81/39/526278139.db2.gz	LIWKZLFDJXJRPH-UHFFFAOYSA-N	1	0	324.385	-0.180	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCCOCC1	ZINC000189424050	527087863	/nfs/dbraw/zinc/08/78/63/527087863.db2.gz	QUHQVLVRCVKCDH-UHFFFAOYSA-N	1	0	311.342	-0.062	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCN1CC[NH2+]CC1	ZINC000238142697	527371052	/nfs/dbraw/zinc/37/10/52/527371052.db2.gz	MSQAPMIXWAOCFV-UHFFFAOYSA-N	1	0	323.353	-0.832	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000267379761	527378340	/nfs/dbraw/zinc/37/83/40/527378340.db2.gz	OREUQBPXPIZGNV-GFCCVEGCSA-N	1	0	323.353	-0.028	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@@H]2CCO)c1	ZINC000347384675	527415644	/nfs/dbraw/zinc/41/56/44/527415644.db2.gz	WZDNTFSNOBYLHR-JQWIXIFHSA-N	1	0	316.383	-0.048	20	5		DBBDRO
Cn1cnc2c(c1=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2	ZINC000332138063	527491698	/nfs/dbraw/zinc/49/16/98/527491698.db2.gz	IPMFPFHYLWFPPL-UHFFFAOYSA-N	1	0	304.310	-0.057	20	5		DBBDRO
C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1	ZINC000285680792	536479802	/nfs/dbraw/zinc/47/98/02/536479802.db2.gz	HRSHYZJHJYFHDN-GHMZBOCLSA-N	1	0	309.326	-0.277	20	5		DBBDRO
C[NH+](C)C[C@@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000736763699	598497014	/nfs/dbraw/zinc/49/70/14/598497014.db2.gz	NSPGWBMBDYPVQF-QMMMGPOBSA-N	1	0	308.302	-0.496	20	5		DBBDRO
COC[C@](C)([NH3+])CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000821680518	606710981	/nfs/dbraw/zinc/71/09/81/606710981.db2.gz	LQDNGOWKDHBFJO-LLVKDONJSA-N	1	0	308.302	-0.054	20	5		DBBDRO
CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](C)CC1	ZINC000888994140	665948718	/nfs/dbraw/zinc/94/87/18/665948718.db2.gz	WGYBVQOOSXVOOG-UHFFFAOYSA-N	1	0	310.358	-0.503	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1	ZINC001020780773	663904424	/nfs/dbraw/zinc/90/44/24/663904424.db2.gz	ABEFOORTALSATQ-ZKCHVHJHSA-N	1	0	320.313	-0.503	20	5		DBBDRO
COC[C@@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262327038	664189553	/nfs/dbraw/zinc/18/95/53/664189553.db2.gz	RCWWMTLWPLRPFK-MWLCHTKSSA-N	1	0	309.326	-0.024	20	5		DBBDRO
Cn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1	ZINC001022063910	664204892	/nfs/dbraw/zinc/20/48/92/664204892.db2.gz	OLOUEELKKUYITF-YVECIDJPSA-N	1	0	307.354	-0.135	20	5		DBBDRO
O=C(N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000973253468	665014542	/nfs/dbraw/zinc/01/45/42/665014542.db2.gz	XOGFFXHOXLIHOS-DDHJBXDOSA-N	1	0	322.365	-0.489	20	5		DBBDRO
O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775325	665085321	/nfs/dbraw/zinc/08/53/21/665085321.db2.gz	PJCLMNKEEZKHBL-LBELIVKGSA-N	1	0	305.338	-0.405	20	5		DBBDRO
Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1	ZINC001025775910	665085898	/nfs/dbraw/zinc/08/58/98/665085898.db2.gz	PVTKVCNXUIHUPM-RGDJUOJXSA-N	1	0	317.349	-0.003	20	5		DBBDRO
NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21	ZINC001025994350	665119142	/nfs/dbraw/zinc/11/91/42/665119142.db2.gz	ZBLCIOKPEWLRNZ-GDNZZTSVSA-N	1	0	304.306	-0.374	20	5		DBBDRO
C[NH+]1C[C@@]2(C)CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@]2(C)C1	ZINC000913288033	674797588	/nfs/dbraw/zinc/79/75/88/674797588.db2.gz	ANENEJZQXZIVFQ-STQMWFEESA-N	1	0	308.342	-0.014	20	5		DBBDRO
Cc1[nH]nc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-]	ZINC000262051554	671224574	/nfs/dbraw/zinc/22/45/74/671224574.db2.gz	MQQYYYQLKWCMRA-JTQLQIEISA-N	1	0	308.342	-0.254	20	5		DBBDRO
CCn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000983655309	671230399	/nfs/dbraw/zinc/23/03/99/671230399.db2.gz	RZWGZMPVJVGRKU-FPQZTECRSA-N	1	0	322.369	-0.052	20	5		DBBDRO
CCn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC000983657725	671232543	/nfs/dbraw/zinc/23/25/43/671232543.db2.gz	LWUJHGWEOMOCFT-FPQZTECRSA-N	1	0	322.369	-0.052	20	5		DBBDRO
C[N@H+](CC(=O)N1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000985431489	671481511	/nfs/dbraw/zinc/48/15/11/671481511.db2.gz	QHPKKNRCNSPSCI-CHWSQXEVSA-N	1	0	324.381	-0.193	20	5		DBBDRO
Cn1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O	ZINC001031661764	677494022	/nfs/dbraw/zinc/49/40/22/677494022.db2.gz	HWJYGIROVFBIMX-CHWSQXEVSA-N	1	0	320.349	-0.402	20	5		DBBDRO
Cn1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC000940107278	677647928	/nfs/dbraw/zinc/64/79/28/677647928.db2.gz	GKIJSJKJQZNABS-VXGBXAGGSA-N	1	0	322.369	-0.049	20	5		DBBDRO
Cn1nncc1CN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001002783354	679001420	/nfs/dbraw/zinc/00/14/20/679001420.db2.gz	RSIXJZRFMZZUBO-VXGBXAGGSA-N	1	0	308.342	-0.439	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CC[NH2+]C[C@@H]2C1	ZINC001164393976	718829972	/nfs/dbraw/zinc/82/99/72/718829972.db2.gz	YLHAYGLICNFFSI-LLVKDONJSA-N	1	0	321.337	-0.130	20	5		DBBDRO
COc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001164398635	718833803	/nfs/dbraw/zinc/83/38/03/718833803.db2.gz	IFLQLQGFAKUSHH-SECBINFHSA-N	1	0	324.341	-0.504	20	5		DBBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@H]3C2)n1	ZINC001164398949	718834002	/nfs/dbraw/zinc/83/40/02/718834002.db2.gz	MQULAMDIBXXDBZ-JTQLQIEISA-N	1	0	308.342	-0.204	20	5		DBBDRO
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)cc1	ZINC000843117616	805609117	/nfs/dbraw/zinc/60/91/17/805609117.db2.gz	QUQBVZPQPPBEHV-STQMWFEESA-N	1	0	307.310	-0.130	20	5		DBBDRO
COC(=O)N(C)CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000852571341	805967876	/nfs/dbraw/zinc/96/78/76/805967876.db2.gz	XSHCKVJDQIZKBN-LLVKDONJSA-N	1	0	315.330	-0.218	20	5		DBBDRO
CCCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001316631582	805971749	/nfs/dbraw/zinc/97/17/49/805971749.db2.gz	ZUJJWVKGKPSBSO-DDHJBXDOSA-N	1	0	312.370	-0.338	20	5		DBBDRO
COC(=O)N(C)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000853117902	805997796	/nfs/dbraw/zinc/99/77/96/805997796.db2.gz	AZPLTLFAMNYOAU-SNVBAGLBSA-N	1	0	301.303	-0.560	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)n1	ZINC000858606711	806151362	/nfs/dbraw/zinc/15/13/62/806151362.db2.gz	IQFXJBITDLFSOO-QMMMGPOBSA-N	1	0	303.344	-0.312	20	5		DBBDRO
CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1ncnn1	ZINC001317587686	806196115	/nfs/dbraw/zinc/19/61/15/806196115.db2.gz	SDEIWCGFSFGHFN-UHFFFAOYSA-N	1	0	319.325	-0.171	20	5		DBBDRO
CN1CC[NH+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC001317982690	806247335	/nfs/dbraw/zinc/24/73/35/806247335.db2.gz	OMTVXYYASUDPRW-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000861342899	806264820	/nfs/dbraw/zinc/26/48/20/806264820.db2.gz	DXOXGYQZHWXEOG-SKDRFNHKSA-N	1	0	313.314	-0.161	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC001318164675	806269533	/nfs/dbraw/zinc/26/95/33/806269533.db2.gz	LWTDLCNMOQGDOQ-VHSXEESVSA-N	1	0	310.314	-0.834	20	5		DBBDRO
CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000863586098	806366567	/nfs/dbraw/zinc/36/65/67/806366567.db2.gz	ATXDBDIWCLGCDL-SCZZXKLOSA-N	1	0	301.303	-0.850	20	5		DBBDRO
CNC(=O)C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1	ZINC000744403815	803989924	/nfs/dbraw/zinc/98/99/24/803989924.db2.gz	WCOVRGFGRNUGSW-NSHDSACASA-N	1	0	311.342	-0.199	20	5		DBBDRO
CS(=O)(=O)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000818947729	805117947	/nfs/dbraw/zinc/11/79/47/805117947.db2.gz	HRSLNLANKLUNNX-NSHDSACASA-N	1	0	303.340	-0.233	20	5		DBBDRO
O=C1CNC(=O)N1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000819065851	805121201	/nfs/dbraw/zinc/12/12/01/805121201.db2.gz	OXMZHJFBKKADOA-LLVKDONJSA-N	1	0	308.294	-0.230	20	5		DBBDRO
CNS(=O)(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000819253674	805124797	/nfs/dbraw/zinc/12/47/97/805124797.db2.gz	ILLQQHCRFBZPKS-NSHDSACASA-N	1	0	303.340	-0.233	20	5		DBBDRO
CNS(=O)(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000819253673	805125073	/nfs/dbraw/zinc/12/50/73/805125073.db2.gz	ILLQQHCRFBZPKS-LLVKDONJSA-N	1	0	303.340	-0.233	20	5		DBBDRO
NC(=O)C1=NO[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000819252772	805125254	/nfs/dbraw/zinc/12/52/54/805125254.db2.gz	KKIFXCNRMGDPSI-JQWIXIFHSA-N	1	0	308.294	-0.152	20	5		DBBDRO
CON(C)C(=O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000819372650	805127315	/nfs/dbraw/zinc/12/73/15/805127315.db2.gz	DNIIAHXCSQVBPC-JTQLQIEISA-N	1	0	313.310	-0.056	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CC[N@@H+]1C1CCOCC1	ZINC001289227860	805217982	/nfs/dbraw/zinc/21/79/82/805217982.db2.gz	XYSXEDYLBXPMAP-LLVKDONJSA-N	1	0	324.341	-0.444	20	5		DBBDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839625798	805557621	/nfs/dbraw/zinc/55/76/21/805557621.db2.gz	WBJUXLMRIJPPHB-IJLUTSLNSA-N	1	0	312.370	-0.290	20	5		DBBDRO
CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)NCC[NH+](C)C	ZINC000839714759	805558842	/nfs/dbraw/zinc/55/88/42/805558842.db2.gz	INLQBDCRZMUJOB-GRYCIOLGSA-N	1	0	314.386	-0.140	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)C2CCOCC2)c1	ZINC001326501444	807187704	/nfs/dbraw/zinc/18/77/04/807187704.db2.gz	FHZQGHUTOXRQSS-OLZOCXBDSA-N	1	0	314.342	-0.471	20	5		DBBDRO
O=C1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2N1	ZINC001328428832	807426092	/nfs/dbraw/zinc/42/60/92/807426092.db2.gz	IRODIZBCTCNNLG-RTXFEEFZSA-N	1	0	323.353	-0.247	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC001328509034	807435206	/nfs/dbraw/zinc/43/52/06/807435206.db2.gz	KADIBSWOMZCSMK-JTQLQIEISA-N	1	0	309.326	-0.011	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC001329537637	807583420	/nfs/dbraw/zinc/58/34/20/807583420.db2.gz	NMEXRGSHRGWFTR-VIFPVBQESA-N	1	0	324.341	-0.602	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH2+]C[C@@H]2C(F)F)c1	ZINC000923352729	807661818	/nfs/dbraw/zinc/66/18/18/807661818.db2.gz	QPMLISFFMAMVOG-VHSXEESVSA-N	1	0	305.285	-0.309	20	5		DBBDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2	ZINC001331065135	807767761	/nfs/dbraw/zinc/76/77/61/807767761.db2.gz	AHYJKKPSNJTRPE-IINYFYTJSA-N	1	0	306.322	-0.176	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000932722697	807977964	/nfs/dbraw/zinc/97/79/64/807977964.db2.gz	FEXWRCHYHJUEEI-LLVKDONJSA-N	1	0	324.385	-0.148	20	5		DBBDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1	ZINC001333532153	808072311	/nfs/dbraw/zinc/07/23/11/808072311.db2.gz	LBBTYFPXGRGUNR-VIFPVBQESA-N	1	0	324.337	-0.056	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC001334781479	808200576	/nfs/dbraw/zinc/20/05/76/808200576.db2.gz	AMTHVAIFRJCYDO-LLVKDONJSA-N	1	0	323.353	-0.001	20	5		DBBDRO
COc1ncc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001335896228	808328956	/nfs/dbraw/zinc/32/89/56/808328956.db2.gz	DXOOWNZASBMVAE-GFCCVEGCSA-N	1	0	322.325	-0.217	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]CCC12CCOCC2	ZINC001336714231	808412969	/nfs/dbraw/zinc/41/29/69/808412969.db2.gz	VTUQSAVLNHNWTG-UHFFFAOYSA-N	1	0	324.341	-0.443	20	5		DBBDRO
CC[C@H](C)[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)NCCN1CCOCC1	ZINC001338463288	808545816	/nfs/dbraw/zinc/54/58/16/808545816.db2.gz	VRMQGSGHJVKMSV-QWHCGFSZSA-N	1	0	316.402	-0.284	20	5		DBBDRO
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1C[N@H+](C)CCN1C	ZINC001339070638	808577929	/nfs/dbraw/zinc/57/79/29/808577929.db2.gz	TYRJRPWLCFNJLL-MWLCHTKSSA-N	1	0	310.358	-0.308	20	5		DBBDRO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[NH+]2CCCC2)C1	ZINC000954241961	809199908	/nfs/dbraw/zinc/19/99/08/809199908.db2.gz	PFFXSWDPLSLEKY-VXGBXAGGSA-N	1	0	310.354	-0.583	20	5		DBBDRO
C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1	ZINC001011114189	812845531	/nfs/dbraw/zinc/84/55/31/812845531.db2.gz	IBZWPIQWMZEKIM-CHWSQXEVSA-N	1	0	324.381	-0.193	20	5		DBBDRO
COc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001020139526	814311248	/nfs/dbraw/zinc/31/12/48/814311248.db2.gz	CXAJHRDCYPJPBR-CNVPUSNMSA-N	1	0	321.337	-0.113	20	5		DBBDRO
O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001020140744	814312580	/nfs/dbraw/zinc/31/25/80/814312580.db2.gz	XILIODUXIWGKGE-GWOFURMSSA-N	1	0	324.337	-0.963	20	5		DBBDRO
NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1	ZINC001049020061	817510031	/nfs/dbraw/zinc/51/00/31/817510031.db2.gz	WXTVJNIOIJIIFQ-TXEJJXNPSA-N	1	0	318.333	-0.030	20	5		DBBDRO
O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCC1	ZINC001072727037	820995773	/nfs/dbraw/zinc/99/57/73/820995773.db2.gz	XUNODBKHPWPCOU-VXGBXAGGSA-N	1	0	322.365	-0.582	20	5		DBBDRO
CCn1nncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001274016505	833007313	/nfs/dbraw/zinc/00/73/13/833007313.db2.gz	NWUMJASTGHFWAL-BLDJZWNYSA-N	1	0	308.342	-0.275	20	5		DBBDRO
COC(=O)c1ccnc(-n2cc(C[NH3+])cnc2=N)c1[N+](=O)[O-]	ZINC001161415392	833014356	/nfs/dbraw/zinc/01/43/56/833014356.db2.gz	FWDCDLLEZREAFK-UHFFFAOYSA-N	1	0	304.266	-0.100	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(C[NH3+])cnc1=N	ZINC001161415020	833014513	/nfs/dbraw/zinc/01/45/13/833014513.db2.gz	LBPMWTBPKADQFO-UHFFFAOYSA-N	1	0	304.266	-0.100	20	5		DBBDRO
Nc1nc(NCCCNC(=O)C[NH+]2CCCC2)ncc1[N+](=O)[O-]	ZINC001094434428	826242358	/nfs/dbraw/zinc/24/23/58/826242358.db2.gz	IEXBWHJUSNPSGS-UHFFFAOYSA-N	1	0	323.357	-0.019	20	5		DBBDRO
COC(=O)[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)(C)[NH3+]	ZINC001162946061	833124416	/nfs/dbraw/zinc/12/44/16/833124416.db2.gz	RNIXOBRRBQLMCF-MRVPVSSYSA-N	1	0	311.298	-0.221	20	5		DBBDRO
CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)C[NH+]1CCCC1	ZINC001101633490	827127690	/nfs/dbraw/zinc/12/76/90/827127690.db2.gz	UZFSVYQHELATEV-UHFFFAOYSA-N	1	0	323.357	-0.067	20	5		DBBDRO
O=C1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCCN1	ZINC001164278248	833199784	/nfs/dbraw/zinc/19/97/84/833199784.db2.gz	GUPNUBRXORNTKW-UHFFFAOYSA-N	1	0	321.341	-0.879	20	5		DBBDRO
COC(=O)c1ccnc(N2CCOCC23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001165285717	833236104	/nfs/dbraw/zinc/23/61/04/833236104.db2.gz	GLYJGUJJZVTYSG-UHFFFAOYSA-N	1	0	308.294	-0.045	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCOCC23C[NH2+]C3)n1	ZINC001165286663	833236560	/nfs/dbraw/zinc/23/65/60/833236560.db2.gz	GNKPPOIHMABLPG-UHFFFAOYSA-N	1	0	322.325	-0.170	20	5		DBBDRO
O=C1NCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C12C[NH2+]C2	ZINC001165298585	833238856	/nfs/dbraw/zinc/23/88/56/833238856.db2.gz	YROBLZVWCPVERR-UHFFFAOYSA-N	1	0	314.305	-0.184	20	5		DBBDRO
C[C@@H]1C(=O)NCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001166557181	833274211	/nfs/dbraw/zinc/27/42/11/833274211.db2.gz	FGSPOKSXFBYYJS-SECBINFHSA-N	1	0	321.341	-0.881	20	5		DBBDRO
CC(=O)OC1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001166638183	833276680	/nfs/dbraw/zinc/27/66/80/833276680.db2.gz	SIOYAVISELUJRN-UHFFFAOYSA-N	1	0	322.325	-0.454	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)n1	ZINC001166940285	833286407	/nfs/dbraw/zinc/28/64/07/833286407.db2.gz	WGYFGKHUHHJMIN-VIFPVBQESA-N	1	0	310.314	-0.184	20	5		DBBDRO
O=[N+]([O-])c1c(N2CC3(CCO3)C2)ncnc1N1CC[NH2+]CC1	ZINC001166939758	833286519	/nfs/dbraw/zinc/28/65/19/833286519.db2.gz	LHHHHNDSOGLJFC-UHFFFAOYSA-N	1	0	306.326	-0.227	20	5		DBBDRO
COc1nc(N(C2C[NH2+]C2)S(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC001166966738	833287385	/nfs/dbraw/zinc/28/73/85/833287385.db2.gz	GNEBVBDFDQITHN-UHFFFAOYSA-N	1	0	302.312	-0.264	20	5		DBBDRO
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]	ZINC001166968974	833288019	/nfs/dbraw/zinc/28/80/19/833288019.db2.gz	ZHDIXSUDMWDASX-SVRRBLITSA-N	1	0	316.701	-0.039	20	5		DBBDRO
COc1cc(N(C2C[NH2+]C2)S(C)(=O)=O)ncc1[N+](=O)[O-]	ZINC001166969838	833288412	/nfs/dbraw/zinc/28/84/12/833288412.db2.gz	YLWBEAXVDJWLDQ-UHFFFAOYSA-N	1	0	302.312	-0.264	20	5		DBBDRO
O=C1NC[C@@H]2CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]12	ZINC001166980145	833288908	/nfs/dbraw/zinc/28/89/08/833288908.db2.gz	UGEYYWADTCROBF-WPRPVWTQSA-N	1	0	318.337	-0.356	20	5		DBBDRO
COC(=O)[C@H](C)N(C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001167112909	833291399	/nfs/dbraw/zinc/29/13/99/833291399.db2.gz	HLDMQHZARHXZOF-VIFPVBQESA-N	1	0	324.341	-0.208	20	5		DBBDRO
O=C1CC[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C(=O)N1	ZINC001167569924	833304904	/nfs/dbraw/zinc/30/49/04/833304904.db2.gz	XAMXYVLBVGKGFN-SSDOTTSWSA-N	1	0	306.282	-0.711	20	5		DBBDRO
CC(=O)NCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001111309557	828254652	/nfs/dbraw/zinc/25/46/52/828254652.db2.gz	SFGMNURIUANHMY-UHFFFAOYSA-N	1	0	323.357	-0.021	20	5		DBBDRO
COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168972567	833332126	/nfs/dbraw/zinc/33/21/26/833332126.db2.gz	NKYIJDAWJZCWJG-AXFHLTTASA-N	1	0	315.374	-0.174	20	5		DBBDRO
COc1ncc([N+](=O)[O-])c(NCCOCCOCC[NH3+])n1	ZINC001170505800	833354389	/nfs/dbraw/zinc/35/43/89/833354389.db2.gz	SEEZRJQZBYSTEW-UHFFFAOYSA-N	1	0	301.303	-0.203	20	5		DBBDRO
CN1CC[NH+](CC2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC001117775483	829014560	/nfs/dbraw/zinc/01/45/60/829014560.db2.gz	SNHRPFOKVMEVAV-UHFFFAOYSA-N	1	0	322.369	-0.503	20	5		DBBDRO
CCOC(=O)CN(CC[NH3+])c1ccc([N+](=O)[O-])c(C(N)=O)n1	ZINC001170991976	833363330	/nfs/dbraw/zinc/36/33/30/833363330.db2.gz	GSGXEDILUOBTHW-UHFFFAOYSA-N	1	0	311.298	-0.583	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1	ZINC001118738120	829127386	/nfs/dbraw/zinc/12/73/86/829127386.db2.gz	QYTVCCZLWXNAOG-LLVKDONJSA-N	1	0	323.353	-0.001	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1cccnc1	ZINC001126932348	829969921	/nfs/dbraw/zinc/96/99/21/829969921.db2.gz	TWOYEUDPHQIRBV-VXGBXAGGSA-N	1	0	321.337	-0.931	20	5		DBBDRO
O=C(NCC[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936266	829970708	/nfs/dbraw/zinc/97/07/08/829970708.db2.gz	DMTOYWGOEXANNT-GHMZBOCLSA-N	1	0	321.337	-0.069	20	5		DBBDRO
CNC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC001126938519	829971178	/nfs/dbraw/zinc/97/11/78/829971178.db2.gz	CKAGGKMEXFTVPC-CHWSQXEVSA-N	1	0	320.349	-0.083	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(O)cc1	ZINC001126943137	829971661	/nfs/dbraw/zinc/97/16/61/829971661.db2.gz	MKQATVOOFJQJLJ-VXGBXAGGSA-N	1	0	322.321	-0.298	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C1CC[NH+](C)CC1	ZINC001133285759	830763483	/nfs/dbraw/zinc/76/34/83/830763483.db2.gz	HOAXHWHTYDECMU-UHFFFAOYSA-N	1	0	324.385	-0.124	20	5		DBBDRO
C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCN1CCO	ZINC001138607062	831176844	/nfs/dbraw/zinc/17/68/44/831176844.db2.gz	IRQPIPPBUHRMCZ-SECBINFHSA-N	1	0	309.326	-0.289	20	5		DBBDRO
NC(=O)NCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001154458059	831879846	/nfs/dbraw/zinc/87/98/46/831879846.db2.gz	SHDIDIMYKVICAQ-UHFFFAOYSA-N	1	0	309.326	-0.141	20	5		DBBDRO
O=[N+]([O-])c1c(NCCn2ccnn2)ncnc1N1CC[NH2+]CC1	ZINC001154621662	831892237	/nfs/dbraw/zinc/89/22/37/831892237.db2.gz	VGXOXXOFUIAODD-UHFFFAOYSA-N	1	0	319.329	-0.502	20	5		DBBDRO
Cc1nn(CCC(=O)NCC[N@H+](C)CCO)c(C)c1[N+](=O)[O-]	ZINC001155251687	831924352	/nfs/dbraw/zinc/92/43/52/831924352.db2.gz	WDOWVAIYWUEOQN-UHFFFAOYSA-N	1	0	313.358	-0.161	20	5		DBBDRO
COC(=O)c1nc(Cl)nc(N(CC[NH3+])CCO)c1[N+](=O)[O-]	ZINC001155949510	831960825	/nfs/dbraw/zinc/96/08/25/831960825.db2.gz	ONGSOGIOWZNDQX-UHFFFAOYSA-N	1	0	319.705	-0.418	20	5		DBBDRO
O=C1CC[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])N1	ZINC001156142352	831971142	/nfs/dbraw/zinc/97/11/42/831971142.db2.gz	IRVUGKGGMVCQRR-VIFPVBQESA-N	1	0	321.341	-0.515	20	5		DBBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1nnc(CC[NH3+])n1	ZINC001156989352	832013883	/nfs/dbraw/zinc/01/38/83/832013883.db2.gz	WHAMOGFOPUMNDF-UHFFFAOYSA-N	1	0	307.270	-0.357	20	5		DBBDRO
CCN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1CN(C)C1	ZINC001157455878	832044586	/nfs/dbraw/zinc/04/45/86/832044586.db2.gz	VVFMWFSWMBCEDL-UHFFFAOYSA-N	1	0	321.385	-0.065	20	5		DBBDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCC1	ZINC001157761040	832061478	/nfs/dbraw/zinc/06/14/78/832061478.db2.gz	KZFMVNUJBXNKBC-VXGBXAGGSA-N	1	0	312.370	-0.240	20	5		DBBDRO
CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767123	832061829	/nfs/dbraw/zinc/06/18/29/832061829.db2.gz	HXOJYCHWOHHTSF-GHMZBOCLSA-N	1	0	300.359	-0.384	20	5		DBBDRO
O=C(NCCC[NH2+]Cc1ncnn1CCF)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767473	832062101	/nfs/dbraw/zinc/06/21/01/832062101.db2.gz	NYKOMQCYWNQKHX-NXEZZACHSA-N	1	0	314.321	-0.491	20	5		DBBDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC1CCC1	ZINC001157761619	832062108	/nfs/dbraw/zinc/06/21/08/832062108.db2.gz	UQUSLDGFVMGUFH-VXGBXAGGSA-N	1	0	312.370	-0.336	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCC[N@@H+](CCCO)C1	ZINC001158483750	832116462	/nfs/dbraw/zinc/11/64/62/832116462.db2.gz	SFSQBNLWVWUAKU-JTQLQIEISA-N	1	0	312.330	-0.851	20	5		DBBDRO
CN1CCOC[C@H]1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158709835	832131508	/nfs/dbraw/zinc/13/15/08/832131508.db2.gz	IXDLBLBGFQSAFS-SNVBAGLBSA-N	1	0	308.342	-0.186	20	5		DBBDRO
COC(=O)c1cnc(N2C[C@@H]([NH3+])C3(COC3)C2)c([N+](=O)[O-])c1	ZINC001158762005	832134661	/nfs/dbraw/zinc/13/46/61/832134661.db2.gz	JDEGNQTVPZZBCU-SNVBAGLBSA-N	1	0	308.294	-0.060	20	5		DBBDRO
COc1nc(NCCOCCOCC[NH3+])ncc1[N+](=O)[O-]	ZINC001159442975	832815661	/nfs/dbraw/zinc/81/56/61/832815661.db2.gz	HZBIEVHMFKXONR-UHFFFAOYSA-N	1	0	301.303	-0.203	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1	ZINC001159681977	832834617	/nfs/dbraw/zinc/83/46/17/832834617.db2.gz	IEUMXORNVODFJM-IUCAKERBSA-N	1	0	310.314	-0.356	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1	ZINC001159681971	832834893	/nfs/dbraw/zinc/83/48/93/832834893.db2.gz	IEUMXORNVODFJM-BDAKNGLRSA-N	1	0	310.314	-0.356	20	5		DBBDRO
CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cnon1	ZINC001273668702	832947860	/nfs/dbraw/zinc/94/78/60/832947860.db2.gz	WYVKEVZACBNVBO-UHFFFAOYSA-N	1	0	323.313	-0.037	20	5		DBBDRO
COC[C@]1(CO)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC001194410687	834596232	/nfs/dbraw/zinc/59/62/32/834596232.db2.gz	VSEBTRBCPVKTTB-CHWSQXEVSA-N	1	0	314.342	-0.517	20	5		DBBDRO
NC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C(N)=O	ZINC001196092049	834757703	/nfs/dbraw/zinc/75/77/03/834757703.db2.gz	FZFJFOFUSQQFPK-DTORHVGOSA-N	1	0	310.285	-0.248	20	5		DBBDRO
C[N@@H+]1C[C@H]2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1	ZINC001261246877	834772566	/nfs/dbraw/zinc/77/25/66/834772566.db2.gz	DDNONFAHTQXHFU-GHMZBOCLSA-N	1	0	306.322	-0.081	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cc(Cl)c1=O)N1CC[NH2+]CC1	ZINC001261458379	834787907	/nfs/dbraw/zinc/78/79/07/834787907.db2.gz	WUSXZSNMFZXXEZ-UHFFFAOYSA-N	1	0	300.702	-0.158	20	5		DBBDRO
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F	ZINC001261495163	834794996	/nfs/dbraw/zinc/79/49/96/834794996.db2.gz	ULHRLYZSAZIWPE-JTQLQIEISA-N	1	0	316.264	-0.130	20	5		DBBDRO
O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1	ZINC001263832473	834988304	/nfs/dbraw/zinc/98/83/04/834988304.db2.gz	RSKDYEHODJKBMJ-YVECIDJPSA-N	1	0	324.381	-0.338	20	5		DBBDRO
COCCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001200472227	835131990	/nfs/dbraw/zinc/13/19/90/835131990.db2.gz	OFUUMWAGBGUQMM-CHWSQXEVSA-N	1	0	315.370	-0.105	20	5		DBBDRO
O=C(NCC[N@H+](CCN1CCCC1=O)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001267326068	835486608	/nfs/dbraw/zinc/48/66/08/835486608.db2.gz	OXTRGOXPCDOSAG-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001176463499	978160138	/nfs/dbraw/zinc/16/01/38/978160138.db2.gz	HYFQPHRCFYXNHN-IJLUTSLNSA-N	1	0	300.315	-0.454	20	5		DBBDRO
CCOC(=O)c1noc(COC(=O)C[C@@H](O)C[N+](C)(C)C)n1	ZINC001222961420	979532183	/nfs/dbraw/zinc/53/21/83/979532183.db2.gz	ZATPVADZAXURGM-SECBINFHSA-N	1	0	316.334	-0.253	20	5		DBBDRO
CC[NH+]1CCC(OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1	ZINC001224797288	979584029	/nfs/dbraw/zinc/58/40/29/979584029.db2.gz	NJTJLLLLFHSNJY-UHFFFAOYSA-N	1	0	316.314	-0.421	20	5		DBBDRO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc[n+]([O-])cc1[N+](=O)[O-]	ZINC001229452704	979677847	/nfs/dbraw/zinc/67/78/47/979677847.db2.gz	WKBUNIVPEGKVAZ-SECBINFHSA-N	1	0	300.291	-0.409	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c1	ZINC001331972057	979900956	/nfs/dbraw/zinc/90/09/56/979900956.db2.gz	PKKJFUQTACQIFY-GXSJLCMTSA-N	1	0	322.329	-0.867	20	5		DBBDRO
C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC001343180065	979924422	/nfs/dbraw/zinc/92/44/22/979924422.db2.gz	BJCRUVTZUGCONN-JTQLQIEISA-N	1	0	324.341	-0.882	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1	ZINC001347915036	980252825	/nfs/dbraw/zinc/25/28/25/980252825.db2.gz	HCUJENAJVXDPKT-UHFFFAOYSA-N	1	0	308.342	-0.220	20	5		DBBDRO
Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC001350599402	980586329	/nfs/dbraw/zinc/58/63/29/980586329.db2.gz	UCXDKHAGCJXQCB-NSHDSACASA-N	1	0	310.358	-0.250	20	5		DBBDRO
C[C@H]([NH3+])CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001353047270	980772527	/nfs/dbraw/zinc/77/25/27/980772527.db2.gz	DGLXBVCVZVYDBN-JTQLQIEISA-N	1	0	324.337	-0.057	20	5		DBBDRO
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1	ZINC001355591920	980901522	/nfs/dbraw/zinc/90/15/22/980901522.db2.gz	LVPSYUACYYIGDF-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1	ZINC001357215707	981041101	/nfs/dbraw/zinc/04/11/01/981041101.db2.gz	CWTYHKKZHUEHKU-GHMZBOCLSA-N	1	0	309.326	-0.535	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC001357561332	981069917	/nfs/dbraw/zinc/06/99/17/981069917.db2.gz	UUQCLRGIPSLLDH-LBPRGKRZSA-N	1	0	322.369	-0.142	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+](CCCO)C1	ZINC001556662688	1015928323	/nfs/dbraw/zinc/92/83/23/1015928323.db2.gz	KVZAWIGIMLYKTH-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001494217836	1016196275	/nfs/dbraw/zinc/19/62/75/1016196275.db2.gz	IBHDKZTWDGUVAO-WRWGMCAJSA-N	1	0	312.370	-0.245	20	5		DBBDRO
O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC001593471755	1016895097	/nfs/dbraw/zinc/89/50/97/1016895097.db2.gz	YKPHJOSYWXFXCB-DTORHVGOSA-N	1	0	302.298	-0.175	20	5		DBBDRO
O=[N+]([O-])c1cnn(CCNc2cc[nH+]cc2-c2nn[nH]n2)c1	ZINC001593486915	1016897208	/nfs/dbraw/zinc/89/72/08/1016897208.db2.gz	CTORLAWNMGXTIC-UHFFFAOYSA-N	1	0	301.270	-0.100	20	5		DBBDRO
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001598291599	1017254748	/nfs/dbraw/zinc/25/47/48/1017254748.db2.gz	FELBXEJRXWXOJV-VXGBXAGGSA-N	1	0	324.381	-0.016	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)[C@H](CO)C1	ZINC001460219536	1009076704	/nfs/dbraw/zinc/07/67/04/1009076704.db2.gz	AHJPJRPHLZIIBN-LOWVWBTDSA-N	1	0	312.322	-0.381	20	5		DBBDRO
NC(=O)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(N)=O	ZINC001460427989	1009088680	/nfs/dbraw/zinc/08/86/80/1009088680.db2.gz	FSNSTAPNMVONDW-TXEJJXNPSA-N	1	0	306.322	-0.344	20	5		DBBDRO
C[NH+]1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1	ZINC001467630448	1009509686	/nfs/dbraw/zinc/50/96/86/1009509686.db2.gz	AFMTWMPGWSLXFE-UHFFFAOYSA-N	1	0	320.353	-0.356	20	5		DBBDRO
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC001472259696	1009877453	/nfs/dbraw/zinc/87/74/53/1009877453.db2.gz	SUKOUAKDGAUYGL-MNOVXSKESA-N	1	0	309.326	-0.011	20	5		DBBDRO
C[NH+](C)CC1(O)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1	ZINC001472844117	1009895872	/nfs/dbraw/zinc/89/58/72/1009895872.db2.gz	FNDNEJZNHZAVCF-UHFFFAOYSA-N	1	0	323.353	-0.018	20	5		DBBDRO
CS(=O)(=O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001480139468	1010552505	/nfs/dbraw/zinc/55/25/05/1010552505.db2.gz	VUJFYBYPWDLHIG-GWOFURMSSA-N	1	0	319.383	-0.677	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@H+]1CCO	ZINC001450022032	1010616093	/nfs/dbraw/zinc/61/60/93/1010616093.db2.gz	PWUVWRAUZPQVMK-JTQLQIEISA-N	1	0	312.330	-0.851	20	5		DBBDRO
CN(CC[N@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001482596405	1011206050	/nfs/dbraw/zinc/20/60/50/1011206050.db2.gz	QDBGWFQGIWXOPJ-CHWSQXEVSA-N	1	0	322.365	-0.059	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1	ZINC001455057345	1012201677	/nfs/dbraw/zinc/20/16/77/1012201677.db2.gz	RCUIUZLXILLSSU-ZDUSSCGKSA-N	1	0	309.326	-0.289	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001455054625	1012203388	/nfs/dbraw/zinc/20/33/88/1012203388.db2.gz	HDRXBUUPCSVZDR-AWEZNQCLSA-N	1	0	324.337	-0.719	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC([NH2+]C2CCOCC2)C1	ZINC001455793757	1012520935	/nfs/dbraw/zinc/52/09/35/1012520935.db2.gz	CJVGYBFQLCBCOB-UHFFFAOYSA-N	1	0	309.326	-0.079	20	5		DBBDRO
O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC1	ZINC001497585056	1017432705	/nfs/dbraw/zinc/43/27/05/1017432705.db2.gz	RVTMUEVKEYSRJV-JZIZGNRHSA-N	1	0	310.354	-0.464	20	5		DBBDRO
C[N@H+](CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1	ZINC001501852731	1018886445	/nfs/dbraw/zinc/88/64/45/1018886445.db2.gz	UVHNGRCRKHTEGJ-LLGAQUFESA-N	1	0	324.381	-0.076	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O	ZINC001617646539	1019785243	/nfs/dbraw/zinc/78/52/43/1019785243.db2.gz	TZFZHUURTHYPMO-CYBMUJFWSA-N	1	0	322.325	-0.226	20	5		DBBDRO
CNS(=O)(=O)C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1	ZINC001618207466	1019792424	/nfs/dbraw/zinc/79/24/24/1019792424.db2.gz	BUQAIGBXZUFYGV-UHFFFAOYSA-N	1	0	317.371	-0.158	20	5		DBBDRO
COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2CO)cc([N+](=O)[O-])c1	ZINC001578850952	1020318232	/nfs/dbraw/zinc/31/82/32/1020318232.db2.gz	VVEGMVKJARPQPX-GFCCVEGCSA-N	1	0	323.305	-0.212	20	5		DBBDRO
COC[C@@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001578992367	1020346433	/nfs/dbraw/zinc/34/64/33/1020346433.db2.gz	UGSRQBOVQSTPMR-JTQLQIEISA-N	1	0	310.310	-0.797	20	5		DBBDRO
Cc1nc(N2CCC[C@H](C(=O)NCC[NH3+])C2)ncc1[N+](=O)[O-]	ZINC001579862888	1020578328	/nfs/dbraw/zinc/57/83/28/1020578328.db2.gz	OFUVTDPKQXHAQS-JTQLQIEISA-N	1	0	308.342	-0.015	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])n1	ZINC001579970502	1020607620	/nfs/dbraw/zinc/60/76/20/1020607620.db2.gz	YBASTKMQHNHNGF-KWQFWETISA-N	1	0	315.355	-0.170	20	5		DBBDRO
C[NH+](C)CC1(O)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC001586276225	1021079376	/nfs/dbraw/zinc/07/93/76/1021079376.db2.gz	UTRBPYRABCFWQO-UHFFFAOYSA-N	1	0	311.342	-0.294	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)n1	ZINC001586991979	1021080928	/nfs/dbraw/zinc/08/09/28/1021080928.db2.gz	HPMCFCDARAFFIM-VIFPVBQESA-N	1	0	311.342	-0.097	20	5		DBBDRO
C[NH+]1CCC(O)(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1	ZINC001566035185	1024114995	/nfs/dbraw/zinc/11/49/95/1024114995.db2.gz	AKHYXSGDHGJSLR-UHFFFAOYSA-N	1	0	309.326	-0.242	20	5		DBBDRO
CS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001566838596	1024387312	/nfs/dbraw/zinc/38/73/12/1024387312.db2.gz	VUJFYBYPWDLHIG-LMLFDSFASA-N	1	0	319.383	-0.677	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1CCC(O)CC1	ZINC001569179891	1025161734	/nfs/dbraw/zinc/16/17/34/1025161734.db2.gz	OKZYUSCZKLDOQA-UHFFFAOYSA-N	1	0	324.337	-0.671	20	5		DBBDRO
Cc1ncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1	ZINC001569932948	1025417517	/nfs/dbraw/zinc/41/75/17/1025417517.db2.gz	IYEMTQVKHPTPGT-VXGBXAGGSA-N	1	0	312.326	-0.441	20	5		DBBDRO
Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1	ZINC001569932924	1025420141	/nfs/dbraw/zinc/42/01/41/1025420141.db2.gz	IFYLRCDRGGDTCB-CHWSQXEVSA-N	1	0	323.353	-0.639	20	5		DBBDRO
COCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001570414369	1025606856	/nfs/dbraw/zinc/60/68/56/1025606856.db2.gz	UCNPTNOGEAEARE-GHMZBOCLSA-N	1	0	301.343	-0.759	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000449695144	529779278	/nfs/dbraw/zinc/77/92/78/529779278.db2.gz	HWBTTZIXOKYNSL-GFCCVEGCSA-N	1	0	308.338	-0.007	20	5		DBBDRO
Nc1nccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-]	ZINC000597627360	412522464	/nfs/dbraw/zinc/52/24/64/412522464.db2.gz	YWAOZBNIKJQKDD-JTQLQIEISA-N	1	0	320.353	-0.308	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc([N+](=O)[O-])c(N)n1	ZINC000591982438	412526690	/nfs/dbraw/zinc/52/66/90/412526690.db2.gz	LWOYGGTUYAOVDW-QMMMGPOBSA-N	1	0	309.330	-0.477	20	5		DBBDRO
Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-]	ZINC000340977491	138103102	/nfs/dbraw/zinc/10/31/02/138103102.db2.gz	MQEDFDRHCQJHSC-VIFPVBQESA-N	1	0	324.341	-0.304	20	5		DBBDRO
O=C1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C2CC2)N1	ZINC000342027675	138117986	/nfs/dbraw/zinc/11/79/86/138117986.db2.gz	XFYRSLXBCJANNK-SGMGOOAPSA-N	1	0	323.353	-0.201	20	5		DBBDRO
Cc1n[nH]c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-]	ZINC000560506400	283993391	/nfs/dbraw/zinc/99/33/91/283993391.db2.gz	AHOMDVIGMKSLIK-CYBMUJFWSA-N	1	0	309.326	-0.187	20	5		DBBDRO
O=C(NCC(=O)N1CC[NH2+]CC1)NCc1cccc([N+](=O)[O-])c1	ZINC000562796775	284015205	/nfs/dbraw/zinc/01/52/05/284015205.db2.gz	DKZKJEZECOVJOC-UHFFFAOYSA-N	1	0	321.337	-0.174	20	5		DBBDRO
C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000562992997	284018936	/nfs/dbraw/zinc/01/89/36/284018936.db2.gz	ZVXNGNYSORTJPO-DNIRFERGSA-N	1	0	323.353	-0.249	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C[NH3+])C1	ZINC000563212548	284029302	/nfs/dbraw/zinc/02/93/02/284029302.db2.gz	YTTQRUGAGSFDEA-MRVPVSSYSA-N	1	0	320.396	-0.080	20	5		DBBDRO
O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1	ZINC000564099802	284055475	/nfs/dbraw/zinc/05/54/75/284055475.db2.gz	AMHPQVABOHILLU-NSHDSACASA-N	1	0	306.322	-0.268	20	5		DBBDRO
COC[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000564656188	284064120	/nfs/dbraw/zinc/06/41/20/284064120.db2.gz	IZEPEBNBZRBRSH-JQWIXIFHSA-N	1	0	300.311	-0.069	20	5		DBBDRO
Nc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000564739581	284066290	/nfs/dbraw/zinc/06/62/90/284066290.db2.gz	JZRBUTYMAIOCMR-SCZZXKLOSA-N	1	0	319.321	-0.439	20	5		DBBDRO
CC(CO)(CO)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000564799257	284067219	/nfs/dbraw/zinc/06/72/19/284067219.db2.gz	QMYJJZFMKJEKAA-LLVKDONJSA-N	1	0	314.338	-0.085	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)n1	ZINC000564933242	284072842	/nfs/dbraw/zinc/07/28/42/284072842.db2.gz	DLRJTAKFSNHWGO-LLVKDONJSA-N	1	0	322.369	-0.069	20	5		DBBDRO
C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000564974782	284075068	/nfs/dbraw/zinc/07/50/68/284075068.db2.gz	HYCGKCTXLDXLSM-SUZMYJTESA-N	1	0	300.311	-0.334	20	5		DBBDRO
O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]C1	ZINC000565254965	284091354	/nfs/dbraw/zinc/09/13/54/284091354.db2.gz	RCHXMJXGWJRZMI-JTQLQIEISA-N	1	0	322.321	-0.432	20	5		DBBDRO
[NH3+]CCN(CCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000578013350	374290193	/nfs/dbraw/zinc/29/01/93/374290193.db2.gz	OGBVLCZYUUQEHA-UHFFFAOYSA-N	1	0	317.367	-0.379	20	5		DBBDRO
CN(CCC[NH3+])C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000578084223	374294810	/nfs/dbraw/zinc/29/48/10/374294810.db2.gz	SRVNTRZWKFJECS-UHFFFAOYSA-N	1	0	324.337	-0.103	20	5		DBBDRO
CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000578186874	374321208	/nfs/dbraw/zinc/32/12/08/374321208.db2.gz	FIEYYTYXEHEAJW-JQWIXIFHSA-N	1	0	311.342	-0.247	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000359087682	374357891	/nfs/dbraw/zinc/35/78/91/374357891.db2.gz	OJZLGVHPFZGTAD-LBPRGKRZSA-N	1	0	324.385	-0.067	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000262081205	374609144	/nfs/dbraw/zinc/60/91/44/374609144.db2.gz	QMSSVZJCFMIGDQ-LBPRGKRZSA-N	1	0	322.369	-0.313	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000247511936	374806836	/nfs/dbraw/zinc/80/68/36/374806836.db2.gz	MOVRCFSCPUDSQW-QWHCGFSZSA-N	1	0	314.342	-0.375	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588860031	374768652	/nfs/dbraw/zinc/76/86/52/374768652.db2.gz	BLPLCGGXTKQLJW-AAEUAGOBSA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC000588861940	374769180	/nfs/dbraw/zinc/76/91/80/374769180.db2.gz	ZMLLHYPWHATPIV-ZYHUDNBSSA-N	1	0	309.326	-0.541	20	5		DBBDRO
C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000361585610	374777064	/nfs/dbraw/zinc/77/70/64/374777064.db2.gz	QFTBJJXGKDYKMH-DRZSPHRISA-N	1	0	314.342	-0.376	20	5		DBBDRO
CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000362009246	374917758	/nfs/dbraw/zinc/91/77/58/374917758.db2.gz	ANUDJLLBWJKJEI-RWMBFGLXSA-N	1	0	314.342	-0.064	20	5		DBBDRO
O=C1CNCCN1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000362831957	375030955	/nfs/dbraw/zinc/03/09/55/375030955.db2.gz	VBBUSGQNVVPWPG-LBPRGKRZSA-N	1	0	322.369	-0.313	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000363195371	375043883	/nfs/dbraw/zinc/04/38/83/375043883.db2.gz	BQYYQWNCIHTYAW-ZYHUDNBSSA-N	1	0	309.326	-0.229	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000580184029	375443027	/nfs/dbraw/zinc/44/30/27/375443027.db2.gz	RSHASDGXPWINPQ-SNVBAGLBSA-N	1	0	310.358	-0.454	20	5		DBBDRO
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1	ZINC000566203527	375536734	/nfs/dbraw/zinc/53/67/34/375536734.db2.gz	IWEPAZVIXQVLFI-MRVPVSSYSA-N	1	0	310.314	-0.755	20	5		DBBDRO
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)NCC[NH+](C)C	ZINC000590371185	375528217	/nfs/dbraw/zinc/52/82/17/375528217.db2.gz	HHSJCZXPBGYFLO-SECBINFHSA-N	1	0	311.342	-0.271	20	5		DBBDRO
C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1	ZINC000592374706	375796891	/nfs/dbraw/zinc/79/68/91/375796891.db2.gz	OYCPAACSAWZFGI-DTWKUNHWSA-N	1	0	316.339	-0.274	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000592392955	375799890	/nfs/dbraw/zinc/79/98/90/375799890.db2.gz	MNSYFLSAGDRJBQ-SECBINFHSA-N	1	0	315.355	-0.828	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000592549304	375811212	/nfs/dbraw/zinc/81/12/12/375811212.db2.gz	AFUCPNIYYFPKNY-JTQLQIEISA-N	1	0	311.298	-0.845	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-]	ZINC000592878561	375826543	/nfs/dbraw/zinc/82/65/43/375826543.db2.gz	GKNQASNCFDUTKK-VIFPVBQESA-N	1	0	324.341	-0.182	20	5		DBBDRO
C[NH+](C)CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000593053077	375845825	/nfs/dbraw/zinc/84/58/25/375845825.db2.gz	WRFHYGPCFHFHLE-UHFFFAOYSA-N	1	0	310.358	-0.503	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1	ZINC000593234766	375852315	/nfs/dbraw/zinc/85/23/15/375852315.db2.gz	HPJKXSMGEUJWQL-UHFFFAOYSA-N	1	0	324.341	-0.826	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O	ZINC000593235702	375853120	/nfs/dbraw/zinc/85/31/20/375853120.db2.gz	VBQBVBVLMOWRNA-UHFFFAOYSA-N	1	0	324.341	-0.976	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])n1	ZINC000595118359	375975164	/nfs/dbraw/zinc/97/51/64/375975164.db2.gz	ZHLYZKPZVHUICK-UHFFFAOYSA-N	1	0	315.355	-0.077	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594391727	375924568	/nfs/dbraw/zinc/92/45/68/375924568.db2.gz	CKWKARXABOSJEM-NWDGAFQWSA-N	1	0	323.353	-0.233	20	5		DBBDRO
CCn1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000596049899	376068883	/nfs/dbraw/zinc/06/88/83/376068883.db2.gz	JRNXUPGKPXQJHF-SNVBAGLBSA-N	1	0	303.344	-0.159	20	5		DBBDRO
Cc1nn(CCC(=O)N2CCOC3(C[NH2+]C3)C2)c(C)c1[N+](=O)[O-]	ZINC000596099272	376072646	/nfs/dbraw/zinc/07/26/46/376072646.db2.gz	QVPWAICFRPFLKT-UHFFFAOYSA-N	1	0	323.353	-0.001	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)n1	ZINC000597575271	376149508	/nfs/dbraw/zinc/14/95/08/376149508.db2.gz	WGQSOUPDFREDOS-CYBMUJFWSA-N	1	0	311.342	-0.143	20	5		DBBDRO
C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000597693485	376164759	/nfs/dbraw/zinc/16/47/59/376164759.db2.gz	FDGYCKUGKFMAJJ-GHMZBOCLSA-N	1	0	324.341	-0.492	20	5		DBBDRO
C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599097461	376243408	/nfs/dbraw/zinc/24/34/08/376243408.db2.gz	IQYKNJUWWUOIQN-QMMMGPOBSA-N	1	0	303.344	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)n1	ZINC000599106070	376244389	/nfs/dbraw/zinc/24/43/89/376244389.db2.gz	IKVLMJNNKYJQQY-OCAPTIKFSA-N	1	0	301.328	-0.832	20	5		DBBDRO
CN(CC(C)(C)C[NH3+])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599101174	376245204	/nfs/dbraw/zinc/24/52/04/376245204.db2.gz	MFTARRQOJKJLQW-UHFFFAOYSA-N	1	0	305.360	-0.066	20	5		DBBDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599109858	376248307	/nfs/dbraw/zinc/24/83/07/376248307.db2.gz	WKLKEINHJBPJSD-YUMQZZPRSA-N	1	0	321.334	-0.351	20	5		DBBDRO
CN(C1(C[NH3+])CCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599109846	376248543	/nfs/dbraw/zinc/24/85/43/376248543.db2.gz	ZAJQGTOTZMONFZ-UHFFFAOYSA-N	1	0	303.344	-0.170	20	5		DBBDRO
C[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C	ZINC000599338864	376278034	/nfs/dbraw/zinc/27/80/34/376278034.db2.gz	IFBWVXIBVFQSPY-MRVPVSSYSA-N	1	0	305.360	-0.053	20	5		DBBDRO
COc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)N2CC[NH2+]CC2)c1	ZINC000568076393	376392629	/nfs/dbraw/zinc/39/26/29/376392629.db2.gz	KSLFMQLAKMOHPE-UHFFFAOYSA-N	1	0	322.321	-0.235	20	5		DBBDRO
CN(C)c1nccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000568621529	376554495	/nfs/dbraw/zinc/55/44/95/376554495.db2.gz	SKTHWUQAXMCIMN-LBPRGKRZSA-N	1	0	321.341	-0.202	20	5		DBBDRO
Cc1n[nH]c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000568895862	376610572	/nfs/dbraw/zinc/61/05/72/376610572.db2.gz	SJMBHXOQSZBHFB-MRVPVSSYSA-N	1	0	312.330	-0.578	20	5		DBBDRO
C[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000315326959	376668732	/nfs/dbraw/zinc/66/87/32/376668732.db2.gz	MIKTZVBGYMTDSL-WCQYABFASA-N	1	0	313.358	-0.538	20	5		DBBDRO
O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+]CC1	ZINC000317009554	376701014	/nfs/dbraw/zinc/70/10/14/376701014.db2.gz	PVJXPEDGCDNZGT-UHFFFAOYSA-N	1	0	310.285	-0.105	20	5		DBBDRO
[NH3+]CCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262434248	376926938	/nfs/dbraw/zinc/92/69/38/376926938.db2.gz	KZMCFIFXNSYVQP-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
[NH3+]CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262515755	376998283	/nfs/dbraw/zinc/99/82/83/376998283.db2.gz	RXEHMTLHFRDTOM-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
COC(=O)C[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000573474419	377103839	/nfs/dbraw/zinc/10/38/39/377103839.db2.gz	UMUQKBKWTJOUSM-NSHDSACASA-N	1	0	311.294	-0.020	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1	ZINC000343294872	377212561	/nfs/dbraw/zinc/21/25/61/377212561.db2.gz	JNNBWXPYCRMOHU-VIFPVBQESA-N	1	0	324.341	-0.365	20	5		DBBDRO
NC(=O)[C@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000367004003	377444563	/nfs/dbraw/zinc/44/45/63/377444563.db2.gz	QKYIVMFISGEFLC-AWEZNQCLSA-N	1	0	322.321	-0.155	20	5		DBBDRO
[NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]12	ZINC000185167127	378351430	/nfs/dbraw/zinc/35/14/30/378351430.db2.gz	BFGIOIIQTKVWNI-MVWJERBFSA-N	1	0	306.322	-0.048	20	5		DBBDRO
CCn1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000353239163	378406548	/nfs/dbraw/zinc/40/65/48/378406548.db2.gz	AGBMQDIPSZXMOQ-MRVPVSSYSA-N	1	0	303.344	-0.159	20	5		DBBDRO
C[C@H](C[S@](C)=O)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000248502427	378386097	/nfs/dbraw/zinc/38/60/97/378386097.db2.gz	UFBMEBKNWVUPSP-MTTWPYTGSA-N	1	0	304.372	-0.149	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000345554894	378429425	/nfs/dbraw/zinc/42/94/25/378429425.db2.gz	BUVJXIHQJZHIFU-QWRGUYRKSA-N	1	0	309.326	-0.127	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCO[C@@H]2CCOC2)c1	ZINC000576029960	379969492	/nfs/dbraw/zinc/96/94/92/379969492.db2.gz	HYSLVKGIVCOLDP-QWHCGFSZSA-N	1	0	314.342	-0.063	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000269881734	379936769	/nfs/dbraw/zinc/93/67/69/379936769.db2.gz	INEVGPSKUZEWLH-AWEZNQCLSA-N	1	0	324.337	-0.038	20	5		DBBDRO
C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075714639	380366874	/nfs/dbraw/zinc/36/68/74/380366874.db2.gz	BJKMKCXSQHTEAF-SCVCMEIPSA-N	1	0	311.342	-0.262	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(CO)CO	ZINC000576408261	380383741	/nfs/dbraw/zinc/38/37/41/380383741.db2.gz	FGRUXCMJOKQIMA-UHFFFAOYSA-N	1	0	313.310	-0.125	20	5		DBBDRO
CC(C)([NH3+])CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000576612061	380487348	/nfs/dbraw/zinc/48/73/48/380487348.db2.gz	FSIFSIQUYNDOCV-UHFFFAOYSA-N	1	0	324.337	-0.057	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1	ZINC000270681934	381009354	/nfs/dbraw/zinc/00/93/54/381009354.db2.gz	VFJLEEHQBHVWFW-FRRDWIJNSA-N	1	0	312.322	-0.238	20	5		DBBDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)C1	ZINC000251844312	381008595	/nfs/dbraw/zinc/00/85/95/381008595.db2.gz	ONVVINZQOWZAPJ-QWRGUYRKSA-N	1	0	311.342	-0.295	20	5		DBBDRO
CN1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O	ZINC000581288868	382139518	/nfs/dbraw/zinc/13/95/18/382139518.db2.gz	PDDYCUIKHDDHBC-CMPLNLGQSA-N	1	0	311.342	-0.295	20	5		DBBDRO
Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)n1C	ZINC000581662795	382164678	/nfs/dbraw/zinc/16/46/78/382164678.db2.gz	XARTVVDOFNXYAL-ZDUSSCGKSA-N	1	0	321.337	-0.051	20	5		DBBDRO
Cc1nn(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-]	ZINC000619874059	382525889	/nfs/dbraw/zinc/52/58/89/382525889.db2.gz	XOAQQCRIZJZVQJ-LLVKDONJSA-N	1	0	322.369	-0.244	20	5		DBBDRO
[NH3+]CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000419841441	382503727	/nfs/dbraw/zinc/50/37/27/382503727.db2.gz	UMUJXTYBAZKNEF-UHFFFAOYSA-N	1	0	321.337	-0.682	20	5		DBBDRO
Cc1c(CNC(=O)C(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-]	ZINC000419758707	382503762	/nfs/dbraw/zinc/50/37/62/382503762.db2.gz	LCQLGSZKPUVOOD-UHFFFAOYSA-N	1	0	306.322	-0.049	20	5		DBBDRO
CN(C[C@H](O)C[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000420355515	382506449	/nfs/dbraw/zinc/50/64/49/382506449.db2.gz	PTIVAGXMAMXMQH-CHWSQXEVSA-N	1	0	308.338	-0.049	20	5		DBBDRO
C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C[NH+]1CCN(C)CC1	ZINC000330520703	382594590	/nfs/dbraw/zinc/59/45/90/382594590.db2.gz	HSFKYMOQYYWKIY-JTQLQIEISA-N	1	0	310.358	-0.069	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1	ZINC000330434955	382595181	/nfs/dbraw/zinc/59/51/81/382595181.db2.gz	QHZYIIBIRNRVIE-UHFFFAOYSA-N	1	0	324.385	-0.110	20	5		DBBDRO
C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C)CC1	ZINC000330766057	382596293	/nfs/dbraw/zinc/59/62/93/382596293.db2.gz	KMYSCFUWNCQSKT-NSHDSACASA-N	1	0	310.358	-0.457	20	5		DBBDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000330713409	382597069	/nfs/dbraw/zinc/59/70/69/382597069.db2.gz	ZFFQAILLFUJCOP-LLVKDONJSA-N	1	0	324.385	-0.112	20	5		DBBDRO
CN(CC(=O)N1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000603485358	382640547	/nfs/dbraw/zinc/64/05/47/382640547.db2.gz	FDVHQGSNMYNEEQ-UHFFFAOYSA-N	1	0	324.341	-0.976	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000353879046	382641649	/nfs/dbraw/zinc/64/16/49/382641649.db2.gz	FTIXEIOOEAUGJO-UHFFFAOYSA-N	1	0	310.358	-0.455	20	5		DBBDRO
COC[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CCC[NH2+]1	ZINC000357269911	382645200	/nfs/dbraw/zinc/64/52/00/382645200.db2.gz	JPLFGAAUXJIUQI-CYBMUJFWSA-N	1	0	311.342	-0.015	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000357266416	382645223	/nfs/dbraw/zinc/64/52/23/382645223.db2.gz	HTCJBCSYQREXAJ-NSHDSACASA-N	1	0	308.342	-0.703	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1	ZINC000358056231	382645974	/nfs/dbraw/zinc/64/59/74/382645974.db2.gz	ZWYDDDJNDFEYQH-ZDUSSCGKSA-N	1	0	311.342	-0.291	20	5		DBBDRO
O=C1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1	ZINC000600762990	382636839	/nfs/dbraw/zinc/63/68/39/382636839.db2.gz	YQFOMWXSZNJROG-QWHCGFSZSA-N	1	0	323.353	-0.105	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000174203735	382694335	/nfs/dbraw/zinc/69/43/35/382694335.db2.gz	GBCHVWGDUXXSBS-GFCCVEGCSA-N	1	0	323.353	-0.028	20	5		DBBDRO
C[C@@H](C[NH+]1CCOCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000273109853	130090728	/nfs/dbraw/zinc/09/07/28/130090728.db2.gz	QZIIBLDIIGCUKA-NSHDSACASA-N	1	0	311.342	-0.124	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1	ZINC000348767305	391998664	/nfs/dbraw/zinc/99/86/64/391998664.db2.gz	VZXHTUVSLYNUGQ-STQMWFEESA-N	1	0	311.342	-0.831	20	5		DBBDRO
C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCN(C)CC1	ZINC000193571165	391974655	/nfs/dbraw/zinc/97/46/55/391974655.db2.gz	JSFIOUSVDRQXJX-LBPRGKRZSA-N	1	0	324.385	-0.209	20	5		DBBDRO
CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)OCCO	ZINC000314352815	391979456	/nfs/dbraw/zinc/97/94/56/391979456.db2.gz	WICCIWPUTPWTHD-LLVKDONJSA-N	1	0	302.331	-0.471	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[NH2+]CC1	ZINC000418933000	392139217	/nfs/dbraw/zinc/13/92/17/392139217.db2.gz	IHEZYPFABXFBQT-UHFFFAOYSA-N	1	0	322.321	-0.349	20	5		DBBDRO
C[C@@H](C[NH3+])CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000418873027	392139353	/nfs/dbraw/zinc/13/93/53/392139353.db2.gz	SPIYZPHLYCKMEM-JTQLQIEISA-N	1	0	308.338	-0.036	20	5		DBBDRO
C[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1	ZINC000419470572	392139487	/nfs/dbraw/zinc/13/94/87/392139487.db2.gz	YJDFCHCJAKXLFC-UWVGGRQHSA-N	1	0	324.341	-0.884	20	5		DBBDRO
C[NH2+]CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000429097687	392148190	/nfs/dbraw/zinc/14/81/90/392148190.db2.gz	XNGNSNWKALDPFP-UHFFFAOYSA-N	1	0	309.326	-0.270	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000170953805	392148504	/nfs/dbraw/zinc/14/85/04/392148504.db2.gz	AVEGPFODBXTSHG-NSHDSACASA-N	1	0	310.358	-0.457	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-]	ZINC000428951403	392148527	/nfs/dbraw/zinc/14/85/27/392148527.db2.gz	JEYLSCBKCPVWPD-SECBINFHSA-N	1	0	324.341	-0.447	20	5		DBBDRO
COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1	ZINC000490052930	392476269	/nfs/dbraw/zinc/47/62/69/392476269.db2.gz	IPTSUACKVGQXLB-WCQYABFASA-N	1	0	314.342	-0.111	20	5		DBBDRO
CNc1nccc(C(=O)NCCN2CCO[C@H](C)C2)c1[N+](=O)[O-]	ZINC000577408770	412336954	/nfs/dbraw/zinc/33/69/54/412336954.db2.gz	GFYDTCGXJGORMG-SNVBAGLBSA-N	1	0	323.353	0.482	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000338648224	412456948	/nfs/dbraw/zinc/45/69/48/412456948.db2.gz	WCNNFFKIGSCGTF-UHFFFAOYSA-N	1	0	321.341	0.497	20	5		DBBDRO
CC[NH2+]CCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC	ZINC000418934236	265758201	/nfs/dbraw/zinc/75/82/01/265758201.db2.gz	IXTJXOMANQHZKP-UHFFFAOYSA-N	1	0	324.337	-0.055	20	5		DBBDRO
[NH3+]CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000419812382	265816236	/nfs/dbraw/zinc/81/62/36/265816236.db2.gz	DYWITYINZNUMFK-UHFFFAOYSA-N	1	0	308.294	-0.741	20	5		DBBDRO
CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000430270393	266001882	/nfs/dbraw/zinc/00/18/82/266001882.db2.gz	BOBYIMXMMZZHIA-WCQYABFASA-N	1	0	311.342	-0.390	20	5		DBBDRO
C[C@H]1COCCN1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000514789068	266264824	/nfs/dbraw/zinc/26/48/24/266264824.db2.gz	UPRDMVONQSLEFM-AAEUAGOBSA-N	1	0	313.358	-0.538	20	5		DBBDRO
C[C@@H]1COCCN1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000514789071	266264849	/nfs/dbraw/zinc/26/48/49/266264849.db2.gz	UPRDMVONQSLEFM-YPMHNXCESA-N	1	0	313.358	-0.538	20	5		DBBDRO
O=[N+]([O-])c1cnn(CC[N@@H+](CCO)CCN2CCOCC2)c1	ZINC000086168338	269565147	/nfs/dbraw/zinc/56/51/47/269565147.db2.gz	KZIYKTYKZMTRAR-UHFFFAOYSA-N	1	0	313.358	-0.582	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000570741277	332809873	/nfs/dbraw/zinc/80/98/73/332809873.db2.gz	XWIAEWCSRFEZPA-OLZOCXBDSA-N	1	0	318.333	-0.092	20	5		DBBDRO
[NH3+]CCCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000580054345	332918093	/nfs/dbraw/zinc/91/80/93/332918093.db2.gz	JBPSITKGSFRRHG-UHFFFAOYSA-N	1	0	306.322	-0.056	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH2+]CC2)n1	ZINC000566203405	332124706	/nfs/dbraw/zinc/12/47/06/332124706.db2.gz	SDJQFVDIFYLQBA-UHFFFAOYSA-N	1	0	310.358	-0.164	20	5		DBBDRO
CSCC[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000573966867	332299950	/nfs/dbraw/zinc/29/99/50/332299950.db2.gz	OANRTCRBYZXFFA-ONGXEEELSA-N	1	0	304.372	-0.144	20	5		DBBDRO
COc1c(F)cc(S(=O)(=O)NC2C[NH2+]C2)cc1[N+](=O)[O-]	ZINC000193175205	333067811	/nfs/dbraw/zinc/06/78/11/333067811.db2.gz	VCQJYYAFURISRZ-UHFFFAOYSA-N	1	0	305.287	-0.007	20	5		DBBDRO
O=C(NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1	ZINC000582176387	335725302	/nfs/dbraw/zinc/72/53/02/335725302.db2.gz	QOHVJMKQHSPSBZ-NSHDSACASA-N	1	0	323.309	-0.235	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2C[NH2+]C[C@H]21	ZINC000582840048	337207627	/nfs/dbraw/zinc/20/76/27/337207627.db2.gz	AARZGMLMZHADHC-CMPLNLGQSA-N	1	0	306.322	-0.033	20	5		DBBDRO
C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCC[NH+](C)C	ZINC000582854903	337211119	/nfs/dbraw/zinc/21/11/19/337211119.db2.gz	BSLQJXXPKDNZRZ-QMMMGPOBSA-N	1	0	312.330	-0.876	20	5		DBBDRO
CNC(=O)[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000566235239	341551471	/nfs/dbraw/zinc/55/14/71/341551471.db2.gz	WSJLIHDXXZIUOW-JTQLQIEISA-N	1	0	310.310	-0.380	20	5		DBBDRO
O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000575355453	341794666	/nfs/dbraw/zinc/79/46/66/341794666.db2.gz	GADWZEFRGMENJQ-TXEJJXNPSA-N	1	0	318.333	-0.111	20	5		DBBDRO
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1	ZINC000575400018	341796421	/nfs/dbraw/zinc/79/64/21/341796421.db2.gz	HRCZPCZUIVWLGC-MRVPVSSYSA-N	1	0	310.314	-0.755	20	5		DBBDRO
C[NH2+]CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C	ZINC000269158175	522009230	/nfs/dbraw/zinc/00/92/30/522009230.db2.gz	ZIZRMVIAIVUWAT-UHFFFAOYSA-N	1	0	316.339	-0.500	20	5		DBBDRO
COC(=O)COc1ccc(C[NH2+]C[C@H](O)CO)cc1[N+](=O)[O-]	ZINC000347502015	523223440	/nfs/dbraw/zinc/22/34/40/523223440.db2.gz	SZKULYQHPIDHFX-JTQLQIEISA-N	1	0	314.294	-0.411	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])n1	ZINC000346070415	523443079	/nfs/dbraw/zinc/44/30/79/523443079.db2.gz	MOWYWBGWKFOUSO-QMMMGPOBSA-N	1	0	303.344	-0.077	20	5		DBBDRO
CO[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C[NH3+])C1	ZINC000359226652	523670889	/nfs/dbraw/zinc/67/08/89/523670889.db2.gz	MUPISJQUFODXEG-VXGBXAGGSA-N	1	0	324.337	-0.279	20	5		DBBDRO
CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])nn1C	ZINC000345389980	524061347	/nfs/dbraw/zinc/06/13/47/524061347.db2.gz	CGQRCJGTMPTNDZ-UHFFFAOYSA-N	1	0	312.374	-0.058	20	5		DBBDRO
C[C@H](CO)[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1	ZINC000347133079	524550186	/nfs/dbraw/zinc/55/01/86/524550186.db2.gz	NDBAUKRVYJYMKO-SNVBAGLBSA-N	1	0	311.342	-0.143	20	5		DBBDRO
O=C1CNC(=O)N1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000331611553	527011387	/nfs/dbraw/zinc/01/13/87/527011387.db2.gz	CJYYZACTERHPHH-UHFFFAOYSA-N	1	0	322.325	-0.020	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NCCC[NH+]1CCC(O)CC1	ZINC000345526637	527372882	/nfs/dbraw/zinc/37/28/82/527372882.db2.gz	KZPYVIBQKNQDDF-UHFFFAOYSA-N	1	0	311.342	-0.246	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCNC1=O	ZINC000369827989	536442800	/nfs/dbraw/zinc/44/28/00/536442800.db2.gz	CEGXIKGZWDONPT-NWDGAFQWSA-N	1	0	311.342	-0.247	20	5		DBBDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1	ZINC000285985761	536468842	/nfs/dbraw/zinc/46/88/42/536468842.db2.gz	YBXLBBMDGHRWHD-NEPJUHHUSA-N	1	0	309.326	-0.277	20	5		DBBDRO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1	ZINC000285680797	536468953	/nfs/dbraw/zinc/46/89/53/536468953.db2.gz	HRSHYZJHJYFHDN-QWRGUYRKSA-N	1	0	309.326	-0.277	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000979747079	665685187	/nfs/dbraw/zinc/68/51/87/665685187.db2.gz	HOYYSFXXCYSSGB-FDYHWXHSSA-N	1	0	324.381	-0.242	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCN2CCCC2=O)CC1	ZINC000981138409	665824202	/nfs/dbraw/zinc/82/42/02/665824202.db2.gz	QONJPQBQFPWKKL-CHWSQXEVSA-N	1	0	324.381	-0.192	20	5		DBBDRO
Cn1nccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001022063934	664204779	/nfs/dbraw/zinc/20/47/79/664204779.db2.gz	PUABHAPISFCAAM-LYIQGSDWSA-N	1	0	307.354	-0.135	20	5		DBBDRO
Cc1nccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025777149	665085656	/nfs/dbraw/zinc/08/56/56/665085656.db2.gz	JRXBBRLKAIHNHM-BLUODKFWSA-N	1	0	317.349	-0.003	20	5		DBBDRO
Cn1nccc1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025776116	665085771	/nfs/dbraw/zinc/08/57/71/665085771.db2.gz	YXNXWLNFFDZEPE-RGDJUOJXSA-N	1	0	319.365	-0.326	20	5		DBBDRO
NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21	ZINC001025994280	665119361	/nfs/dbraw/zinc/11/93/61/665119361.db2.gz	TZOTUTUYWSKDAT-GDNZZTSVSA-N	1	0	304.306	-0.374	20	5		DBBDRO
Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1	ZINC000983656112	671228320	/nfs/dbraw/zinc/22/83/20/671228320.db2.gz	YCIRDFOBMADDSS-GWOFURMSSA-N	1	0	308.342	-0.237	20	5		DBBDRO
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896571261	671411740	/nfs/dbraw/zinc/41/17/40/671411740.db2.gz	PJADXXSQYCCUFL-QWRGUYRKSA-N	1	0	310.358	-0.458	20	5		DBBDRO
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C	ZINC000896570616	671414137	/nfs/dbraw/zinc/41/41/37/671414137.db2.gz	CXRVRGZYXQOQIM-ZYHUDNBSSA-N	1	0	310.358	-0.458	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)C(N)=O)CC1	ZINC000998026325	678548370	/nfs/dbraw/zinc/54/83/70/678548370.db2.gz	XWFKRKHPXREZOA-UHFFFAOYSA-N	1	0	324.341	-0.858	20	5		DBBDRO
C[N@H+](CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1	ZINC001001796960	678959094	/nfs/dbraw/zinc/95/90/94/678959094.db2.gz	UXICAXMOVQOODO-CHWSQXEVSA-N	1	0	324.381	-0.290	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2CCN3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1	ZINC001164390147	718831504	/nfs/dbraw/zinc/83/15/04/718831504.db2.gz	APXWKGRNUAKTSP-JTQLQIEISA-N	1	0	308.298	-0.008	20	5		DBBDRO
COC(=O)c1ccnc(N2CCN3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164399160	718835113	/nfs/dbraw/zinc/83/51/13/718835113.db2.gz	PIUUFBQBTHDOQG-SNVBAGLBSA-N	1	0	321.337	-0.130	20	5		DBBDRO
COC(=O)c1ccnc(N2CCN3CC[NH2+]C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164399159	718835287	/nfs/dbraw/zinc/83/52/87/718835287.db2.gz	PIUUFBQBTHDOQG-JTQLQIEISA-N	1	0	321.337	-0.130	20	5		DBBDRO
COC[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000843080920	805608356	/nfs/dbraw/zinc/60/83/56/805608356.db2.gz	MSHMCCSRQVUPDR-QWRGUYRKSA-N	1	0	300.311	-0.069	20	5		DBBDRO
O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)c1	ZINC000843114984	805609745	/nfs/dbraw/zinc/60/97/45/805609745.db2.gz	FMPQYXGKPIYPKB-CHWSQXEVSA-N	1	0	307.310	-0.130	20	5		DBBDRO
C[NH+](C)CC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001297047267	805666306	/nfs/dbraw/zinc/66/63/06/805666306.db2.gz	LEOLJRXSLIWUIQ-GHMZBOCLSA-N	1	0	310.354	-0.680	20	5		DBBDRO
COCC[N@H+](C)C[C@@H](O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000848674112	805845464	/nfs/dbraw/zinc/84/54/64/805845464.db2.gz	LHKRGSZNAZLWKC-MRVPVSSYSA-N	1	0	303.275	-0.361	20	5		DBBDRO
CCC[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001299160409	805865818	/nfs/dbraw/zinc/86/58/18/805865818.db2.gz	OQVRQJJEXCXBDS-GHMZBOCLSA-N	1	0	312.370	-0.242	20	5		DBBDRO
[NH3+]C[C@H]1CC(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)=NO1	ZINC000852889673	805987675	/nfs/dbraw/zinc/98/76/75/805987675.db2.gz	PIYUDTOBORDJDQ-SNVBAGLBSA-N	1	0	305.294	-0.022	20	5		DBBDRO
COC(=O)N(C)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000853117901	805997834	/nfs/dbraw/zinc/99/78/34/805997834.db2.gz	AZPLTLFAMNYOAU-JTQLQIEISA-N	1	0	301.303	-0.560	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C2CCOCC2)CC1	ZINC001318889758	806331860	/nfs/dbraw/zinc/33/18/60/806331860.db2.gz	ALCYLLDTDAXMCD-UHFFFAOYSA-N	1	0	324.341	-0.491	20	5		DBBDRO
O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000863834552	806379330	/nfs/dbraw/zinc/37/93/30/806379330.db2.gz	JHBDYWBORGCNJP-STQMWFEESA-N	1	0	309.322	-0.189	20	5		DBBDRO
COC[C@]1(C[NH+](C)C)COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000876474845	806783247	/nfs/dbraw/zinc/78/32/47/806783247.db2.gz	ILRADJIYNLNWGQ-NQBHXWOUSA-N	1	0	301.343	-0.543	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1	ZINC001323233027	806840589	/nfs/dbraw/zinc/84/05/89/806840589.db2.gz	FIYKZSJKHVQHRP-UHFFFAOYSA-N	1	0	310.358	-0.304	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001323633905	806897932	/nfs/dbraw/zinc/89/79/32/806897932.db2.gz	FMRJRTPIXNBANO-NWDGAFQWSA-N	1	0	323.353	-0.233	20	5		DBBDRO
Cn1c(C(=O)NC2CCN(CC(N)=O)CC2)ccc1[N+](=O)[O-]	ZINC000880195434	806917881	/nfs/dbraw/zinc/91/78/81/806917881.db2.gz	QKGQEHJKDXJZOR-UHFFFAOYSA-N	1	0	309.326	-0.387	20	5		DBBDRO
O=C1CN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1	ZINC000819218215	805124158	/nfs/dbraw/zinc/12/41/58/805124158.db2.gz	DFYZUSYSAFIDRL-ZDUSSCGKSA-N	1	0	308.338	-0.350	20	5		DBBDRO
NC(=O)C1=NO[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000819252673	805125284	/nfs/dbraw/zinc/12/52/84/805125284.db2.gz	JCYORDQDBKOKQI-CMPLNLGQSA-N	1	0	308.294	-0.152	20	5		DBBDRO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000839706762	805558411	/nfs/dbraw/zinc/55/84/11/805558411.db2.gz	ZVAJOXUMITVNFW-GRYCIOLGSA-N	1	0	310.354	-0.583	20	5		DBBDRO
O=C(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC[NH+]1CCCCCC1	ZINC000839779711	805560278	/nfs/dbraw/zinc/56/02/78/805560278.db2.gz	RGXMVIJHRDMJLX-VXGBXAGGSA-N	1	0	312.370	-0.240	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-]	ZINC001326064500	807140507	/nfs/dbraw/zinc/14/05/07/807140507.db2.gz	YACUQQWVUAMBDA-LLVKDONJSA-N	1	0	322.369	-0.244	20	5		DBBDRO
CCS(=O)(=O)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001326599108	807197798	/nfs/dbraw/zinc/19/77/98/807197798.db2.gz	ZTIBLOLKPKXREH-NSHDSACASA-N	1	0	320.371	-0.433	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)Cc2ccncc2)c1	ZINC001328411187	807423350	/nfs/dbraw/zinc/42/33/50/807423350.db2.gz	CITYEAPRRSKMHU-GXTWGEPZSA-N	1	0	321.337	-0.260	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001328965947	807496441	/nfs/dbraw/zinc/49/64/41/807496441.db2.gz	TWUFOHFFQZPZEA-ONGXEEELSA-N	1	0	321.337	-0.147	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001328965944	807496853	/nfs/dbraw/zinc/49/68/53/807496853.db2.gz	TWUFOHFFQZPZEA-KOLCDFICSA-N	1	0	321.337	-0.147	20	5		DBBDRO
COC1(CO)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001329017395	807506062	/nfs/dbraw/zinc/50/60/62/807506062.db2.gz	MKWAFDQNXZYEJF-GFCCVEGCSA-N	1	0	314.342	-0.375	20	5		DBBDRO
Cn1cc([C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001329434858	807565393	/nfs/dbraw/zinc/56/53/93/807565393.db2.gz	YJSKYSNVHIRNLS-RYUDHWBXSA-N	1	0	310.314	-0.791	20	5		DBBDRO
O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001329482647	807574536	/nfs/dbraw/zinc/57/45/36/807574536.db2.gz	VJDSIELGIGRXDN-LLVKDONJSA-N	1	0	304.306	-0.085	20	5		DBBDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC001330519600	807726971	/nfs/dbraw/zinc/72/69/71/807726971.db2.gz	LKGVOACRGHQMDC-SNVBAGLBSA-N	1	0	308.338	-0.022	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000929458353	807836671	/nfs/dbraw/zinc/83/66/71/807836671.db2.gz	QXVWGMKBZSFAPV-UHFFFAOYSA-N	1	0	324.385	-0.194	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CC[NH+](C)CC1	ZINC000929582080	807841755	/nfs/dbraw/zinc/84/17/55/807841755.db2.gz	QPHULGKMQRIUBF-UHFFFAOYSA-N	1	0	310.358	-0.537	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1	ZINC000932704792	807976076	/nfs/dbraw/zinc/97/60/76/807976076.db2.gz	YCODOHGDMJQHDP-UHFFFAOYSA-N	1	0	324.385	-0.147	20	5		DBBDRO
C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C	ZINC001333734164	808092128	/nfs/dbraw/zinc/09/21/28/808092128.db2.gz	ATSDFRHERQDQQJ-ZJUUUORDSA-N	1	0	310.358	-0.308	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCC1	ZINC001020138858	814311519	/nfs/dbraw/zinc/31/15/19/814311519.db2.gz	FFSOIMHTDWPJMG-DDHJBXDOSA-N	1	0	310.354	-0.489	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCCC1	ZINC001022061361	814381085	/nfs/dbraw/zinc/38/10/85/814381085.db2.gz	DYVRRWQEGMYMPI-YVECIDJPSA-N	1	0	324.381	-0.099	20	5		DBBDRO
CNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2	ZINC001035187631	814864945	/nfs/dbraw/zinc/86/49/45/814864945.db2.gz	ZFUPAFOQVUSDQR-VXGBXAGGSA-N	1	0	324.381	-0.288	20	5		DBBDRO
CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048814366	817447231	/nfs/dbraw/zinc/44/72/31/817447231.db2.gz	HSKVTRUONMWIFC-WRWGMCAJSA-N	1	0	310.354	-0.870	20	5		DBBDRO
C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001062993046	819570472	/nfs/dbraw/zinc/57/04/72/819570472.db2.gz	MYIGJXZQNDBBLM-GHMZBOCLSA-N	1	0	312.370	-0.242	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCC1	ZINC001086363264	825243424	/nfs/dbraw/zinc/24/34/24/825243424.db2.gz	KIYPWSRNDXUWSI-FDYHWXHSSA-N	1	0	324.381	-0.242	20	5		DBBDRO
Cn1cc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1	ZINC001274014586	833006041	/nfs/dbraw/zinc/00/60/41/833006041.db2.gz	AIUHUALSBHADLV-XCUNLHGCSA-N	1	0	307.354	-0.110	20	5		DBBDRO
CC[N@H+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093840560	826174050	/nfs/dbraw/zinc/17/40/50/826174050.db2.gz	NBDAXRUEFCTCGY-UHFFFAOYSA-N	1	0	311.346	-0.163	20	5		DBBDRO
C[NH+](C)CC1(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001094089876	826195358	/nfs/dbraw/zinc/19/53/58/826195358.db2.gz	MLANFCQIHAJEHL-UHFFFAOYSA-N	1	0	323.357	-0.163	20	5		DBBDRO
Cc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)ncc1[N+](=O)[O-]	ZINC001162067998	833073170	/nfs/dbraw/zinc/07/31/70/833073170.db2.gz	DQRGMKGZWLRPQX-UHFFFAOYSA-N	1	0	308.342	-0.097	20	5		DBBDRO
COc1nc(N(CC[NH3+])S(C)(=O)=O)nc(C)c1[N+](=O)[O-]	ZINC001162124692	833075818	/nfs/dbraw/zinc/07/58/18/833075818.db2.gz	OUXGWJSMEVUNRK-UHFFFAOYSA-N	1	0	305.316	-0.573	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@H]2CCS(=O)(=O)C2)ncnc1C1C[NH2+]C1	ZINC001162498647	833110012	/nfs/dbraw/zinc/11/00/12/833110012.db2.gz	LFEBVIIJXLKHHH-QMMMGPOBSA-N	1	0	313.339	-0.329	20	5		DBBDRO
NC(=O)c1ccnc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001163074927	833130985	/nfs/dbraw/zinc/13/09/85/833130985.db2.gz	XBJUFDYIWBQVJT-SECBINFHSA-N	1	0	307.310	-0.121	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)N1	ZINC001163236332	833140534	/nfs/dbraw/zinc/14/05/34/833140534.db2.gz	HRAUPGNAMFITCV-MADCSZMMSA-N	1	0	303.282	-0.144	20	5		DBBDRO
O=C(NCCC1(C[NH2+]CCOCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001164494322	833213613	/nfs/dbraw/zinc/21/36/13/833213613.db2.gz	FPAVXQXBOREDRL-VXGBXAGGSA-N	1	0	315.370	-0.463	20	5		DBBDRO
COC(=O)c1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001165297933	833237577	/nfs/dbraw/zinc/23/75/77/833237577.db2.gz	LGIOSBMMVMATFK-UHFFFAOYSA-N	1	0	321.293	-0.945	20	5		DBBDRO
Cc1nc(Cl)nc(N2CCNC(=O)C23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001165298503	833237625	/nfs/dbraw/zinc/23/76/25/833237625.db2.gz	WVFNRWPEXXASIP-UHFFFAOYSA-N	1	0	312.717	-0.375	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)n1	ZINC001165300842	833238869	/nfs/dbraw/zinc/23/88/69/833238869.db2.gz	LIDBDZPZPXBTAT-UHFFFAOYSA-N	1	0	321.293	-0.945	20	5		DBBDRO
O=[N+]([O-])c1cc[n+]([O-])c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1	ZINC001165343122	833242743	/nfs/dbraw/zinc/24/27/43/833242743.db2.gz	BLBYOMILQMUUCV-AWEZNQCLSA-N	1	0	324.337	-0.187	20	5		DBBDRO
COc1nc(C)c([N+](=O)[O-])c(N(C2C[NH2+]C2)S(C)(=O)=O)n1	ZINC001166968821	833287737	/nfs/dbraw/zinc/28/77/37/833287737.db2.gz	MLEJYGJVBXOQLA-UHFFFAOYSA-N	1	0	317.327	-0.560	20	5		DBBDRO
[NH3+]CCc1ccn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1	ZINC001167729863	833308075	/nfs/dbraw/zinc/30/80/75/833308075.db2.gz	SNKMPHHWQSIPAU-UHFFFAOYSA-N	1	0	319.325	-0.092	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1	ZINC001116419589	828893031	/nfs/dbraw/zinc/89/30/31/828893031.db2.gz	BMWQNSODRQKJIE-NXEZZACHSA-N	1	0	309.326	-0.079	20	5		DBBDRO
O=C1C=CC(=O)N1CCOCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168997463	833332358	/nfs/dbraw/zinc/33/23/58/833332358.db2.gz	ZPKCPQHHLMLKNU-RYUDHWBXSA-N	1	0	311.338	-0.037	20	5		DBBDRO
CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2	ZINC001169028377	833332747	/nfs/dbraw/zinc/33/27/47/833332747.db2.gz	RWUQLLHHSKEWQX-IPYPFGDCSA-N	1	0	324.381	-0.145	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1-n1cncc1C[C@@H]([NH3+])CO	ZINC001169067657	833333559	/nfs/dbraw/zinc/33/35/59/833333559.db2.gz	VGYOYCVTTDXCGD-SSDOTTSWSA-N	1	0	306.282	-0.864	20	5		DBBDRO
CN1CCOC[C@H]1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001169653086	833343810	/nfs/dbraw/zinc/34/38/10/833343810.db2.gz	FQWFNAFCSSWRKQ-SNVBAGLBSA-N	1	0	308.342	-0.186	20	5		DBBDRO
COC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1	ZINC001118149790	829040404	/nfs/dbraw/zinc/04/04/04/829040404.db2.gz	PIFGXNQCVPBOFH-LBPRGKRZSA-N	1	0	314.342	-0.063	20	5		DBBDRO
COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC001171741944	833373720	/nfs/dbraw/zinc/37/37/20/833373720.db2.gz	SYUAKSOUUXNDIA-MNOVXSKESA-N	1	0	312.326	-0.044	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1	ZINC001118960480	829198225	/nfs/dbraw/zinc/19/82/25/829198225.db2.gz	XPTZNGUXARRXEO-UTUOFQBUSA-N	1	0	300.315	-0.718	20	5		DBBDRO
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001175698234	833395116	/nfs/dbraw/zinc/39/51/16/833395116.db2.gz	NADUJGOLLXBBFS-VIFPVBQESA-N	1	0	305.298	-0.241	20	5		DBBDRO
CS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001124357320	829741872	/nfs/dbraw/zinc/74/18/72/829741872.db2.gz	XTARNLYCCZHWQQ-UHFFFAOYSA-N	1	0	315.351	-0.155	20	5		DBBDRO
Cn1nnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1	ZINC001132523791	830663889	/nfs/dbraw/zinc/66/38/89/830663889.db2.gz	ZIJFZYFTQTWSLX-UHFFFAOYSA-N	1	0	305.298	-0.362	20	5		DBBDRO
CC(=O)NCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001154199453	831866677	/nfs/dbraw/zinc/86/66/77/831866677.db2.gz	NFZUDXZLOAHDBW-UHFFFAOYSA-N	1	0	312.330	-0.940	20	5		DBBDRO
CS(=O)(=O)N(CC[NH3+])c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001154765899	831898246	/nfs/dbraw/zinc/89/82/46/831898246.db2.gz	LQXTUONIJDTSLA-UHFFFAOYSA-N	1	0	305.272	-0.377	20	5		DBBDRO
C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)CC1=O	ZINC001155038629	831913747	/nfs/dbraw/zinc/91/37/47/831913747.db2.gz	ZVSJBQATRRAQPY-QMMMGPOBSA-N	1	0	310.314	-0.334	20	5		DBBDRO
O=[N+]([O-])c1cnc(N[C@@H]2CCS(=O)(=O)C2)nc1C1C[NH2+]C1	ZINC001155058807	831914809	/nfs/dbraw/zinc/91/48/09/831914809.db2.gz	ZVULZODEHPDYBV-MRVPVSSYSA-N	1	0	313.339	-0.329	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)N1	ZINC001155579251	831940581	/nfs/dbraw/zinc/94/05/81/831940581.db2.gz	DTVQPFMBDINCJF-RNCFNFMXSA-N	1	0	319.325	-0.938	20	5		DBBDRO
CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])S(=O)(=O)CC[NH3+]	ZINC001156236788	831975478	/nfs/dbraw/zinc/97/54/78/831975478.db2.gz	QFZBCLIKPVXTJS-UHFFFAOYSA-N	1	0	310.719	-0.394	20	5		DBBDRO
CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])S(=O)(=O)CC[NH3+]	ZINC001156236408	831975489	/nfs/dbraw/zinc/97/54/89/831975489.db2.gz	JKSUYJMLSUVZHG-UHFFFAOYSA-N	1	0	310.719	-0.394	20	5		DBBDRO
O=c1[nH][nH]cc1CCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001156286160	831977092	/nfs/dbraw/zinc/97/70/92/831977092.db2.gz	ZKXGKZOZJCKILZ-MRVPVSSYSA-N	1	0	319.325	-0.005	20	5		DBBDRO
CCOC(=O)c1ccnc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-]	ZINC001156989234	832013691	/nfs/dbraw/zinc/01/36/91/832013691.db2.gz	FTPHXYFNVSEHFC-UHFFFAOYSA-N	1	0	307.270	-0.357	20	5		DBBDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1ccco1	ZINC001157767676	832061789	/nfs/dbraw/zinc/06/17/89/832061789.db2.gz	RIPYOCFQQXTYFN-VXGBXAGGSA-N	1	0	324.337	-0.343	20	5		DBBDRO
O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767776	832061935	/nfs/dbraw/zinc/06/19/35/832061935.db2.gz	UAQBTPVIAHVFHZ-NXEZZACHSA-N	1	0	309.330	-0.731	20	5		DBBDRO
O=C1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CO1	ZINC001158243049	832101190	/nfs/dbraw/zinc/10/11/90/832101190.db2.gz	QVRZZNOBOGRPNI-MRVPVSSYSA-N	1	0	308.298	-0.478	20	5		DBBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([NH3+])C3(COC3)C2)n1	ZINC001158768271	832134950	/nfs/dbraw/zinc/13/49/50/832134950.db2.gz	AOSSCQWSMAHVQG-VIFPVBQESA-N	1	0	322.325	-0.184	20	5		DBBDRO
Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1	ZINC001272161798	832751673	/nfs/dbraw/zinc/75/16/73/832751673.db2.gz	BRYFOMNOHYFPFD-VXGBXAGGSA-N	1	0	312.326	-0.441	20	5		DBBDRO
COc1ncnc(NCCOCCOCC[NH3+])c1[N+](=O)[O-]	ZINC001159445650	832817338	/nfs/dbraw/zinc/81/73/38/832817338.db2.gz	QPDFTSQZNQQANL-UHFFFAOYSA-N	1	0	301.303	-0.203	20	5		DBBDRO
O=C(NCC1([NH2+]CCn2cncn2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001273084469	832877002	/nfs/dbraw/zinc/87/70/02/832877002.db2.gz	PXSJFKUOOBQBQI-GHMZBOCLSA-N	1	0	308.342	-0.428	20	5		DBBDRO
O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCC1	ZINC001277054160	833922961	/nfs/dbraw/zinc/92/29/61/833922961.db2.gz	BZSAGBJEFQHYMU-VXGBXAGGSA-N	1	0	324.381	-0.098	20	5		DBBDRO
C[NH+]1CCC(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC001256862903	834637877	/nfs/dbraw/zinc/63/78/77/834637877.db2.gz	HCKZTLPRLXWTRN-UHFFFAOYSA-N	1	0	324.341	-0.882	20	5		DBBDRO
C[C@H]1C[N@H+](CCO)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001195094899	834656468	/nfs/dbraw/zinc/65/64/68/834656468.db2.gz	WZKIRDXZXBJSHD-WCQYABFASA-N	1	0	313.358	-0.849	20	5		DBBDRO
NC(=O)[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C(N)=O	ZINC001196092052	834757234	/nfs/dbraw/zinc/75/72/34/834757234.db2.gz	FZFJFOFUSQQFPK-RKDXNWHRSA-N	1	0	310.285	-0.248	20	5		DBBDRO
C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001261246879	834772678	/nfs/dbraw/zinc/77/26/78/834772678.db2.gz	DDNONFAHTQXHFU-QWRGUYRKSA-N	1	0	306.322	-0.081	20	5		DBBDRO
COCC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1	ZINC001261252413	834773520	/nfs/dbraw/zinc/77/35/20/834773520.db2.gz	JXTPFVYHKHEYJH-GFCCVEGCSA-N	1	0	314.342	-0.063	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-]	ZINC001261493674	834794680	/nfs/dbraw/zinc/79/46/80/834794680.db2.gz	MNGPRUUBIWESKJ-LLVKDONJSA-N	1	0	322.369	-0.244	20	5		DBBDRO
CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001205224439	835337902	/nfs/dbraw/zinc/33/79/02/835337902.db2.gz	TUBASRMZDYHMLD-VXGBXAGGSA-N	1	0	312.370	-0.384	20	5		DBBDRO
NC(=O)[C@H]([NH3+])CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1	ZINC001205871144	835364665	/nfs/dbraw/zinc/36/46/65/835364665.db2.gz	KOMDLXJUBPGMOA-ZCFIWIBFSA-N	1	0	310.245	-0.076	20	5		DBBDRO
CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001267925653	835610126	/nfs/dbraw/zinc/61/01/26/835610126.db2.gz	UVSCJFUQBOXHDS-DDHJBXDOSA-N	1	0	312.370	-0.195	20	5		DBBDRO
C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001528038128	1014340362	/nfs/dbraw/zinc/34/03/62/1014340362.db2.gz	UUDVNNSHYCEMSD-PWSUYJOCSA-N	1	0	308.342	-0.704	20	5		DBBDRO
CCN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001529079350	1014512684	/nfs/dbraw/zinc/51/26/84/1014512684.db2.gz	LAZCESUGVBZLOO-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
COC(=O)c1coc(COC(=O)C[C@@H](O)C[N+](C)(C)C)n1	ZINC001224251595	979565236	/nfs/dbraw/zinc/56/52/36/979565236.db2.gz	QCSFKJMBOGHPKP-SECBINFHSA-N	1	0	301.319	-0.038	20	5		DBBDRO
O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CC1	ZINC001488826887	1014590336	/nfs/dbraw/zinc/59/03/36/1014590336.db2.gz	WBLMHGKWXNHRAH-HJQYOEGKSA-N	1	0	310.354	-0.585	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1-c1noc([C@]23C[NH2+]C[C@H]2COC3)n1	ZINC001326415194	979734405	/nfs/dbraw/zinc/73/44/05/979734405.db2.gz	ZXHVBOLZSXISFI-MADCSZMMSA-N	1	0	306.282	-0.134	20	5		DBBDRO
CN(CCC[N@H+](C)CC(=O)N1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001327212123	979797504	/nfs/dbraw/zinc/79/75/04/979797504.db2.gz	BNQUXWBGUZSEOW-VXGBXAGGSA-N	1	0	312.370	-0.336	20	5		DBBDRO
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CC[NH2+]CC1	ZINC001345782254	980087357	/nfs/dbraw/zinc/08/73/57/980087357.db2.gz	XGGHVTVPEIKAPU-UHFFFAOYSA-N	1	0	317.305	-0.264	20	5		DBBDRO
Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001349324220	980455158	/nfs/dbraw/zinc/45/51/58/980455158.db2.gz	CTIXSWOCIRUSCO-WCQYABFASA-N	1	0	324.341	-0.921	20	5		DBBDRO
C[NH+](C)CC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001357809306	981094670	/nfs/dbraw/zinc/09/46/70/981094670.db2.gz	QPTVQIAXMAACAS-BLDJZWNYSA-N	1	0	324.381	-0.218	20	5		DBBDRO
O=C(C[NH+]1CCCC1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001530769539	1014797250	/nfs/dbraw/zinc/79/72/50/1014797250.db2.gz	MKYOAQIWSDQUSS-VXGBXAGGSA-N	1	0	310.354	-0.678	20	5		DBBDRO
CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001536355996	1015436726	/nfs/dbraw/zinc/43/67/26/1015436726.db2.gz	YORXJDINCKTKNA-VXGBXAGGSA-N	1	0	312.370	-0.337	20	5		DBBDRO
CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cnnn1	ZINC001493472337	1015943824	/nfs/dbraw/zinc/94/38/24/1015943824.db2.gz	DMXOJKYMAZGELO-UHFFFAOYSA-N	1	0	319.325	-0.171	20	5		DBBDRO
O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC001593471756	1016895638	/nfs/dbraw/zinc/89/56/38/1016895638.db2.gz	YKPHJOSYWXFXCB-IUCAKERBSA-N	1	0	302.298	-0.175	20	5		DBBDRO
C[N@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1O	ZINC001445716764	1008425161	/nfs/dbraw/zinc/42/51/61/1008425161.db2.gz	YSCHHJZXUZGDPA-VXGBXAGGSA-N	1	0	311.342	-0.247	20	5		DBBDRO
NS(=O)(=O)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001460884283	1009126835	/nfs/dbraw/zinc/12/68/35/1009126835.db2.gz	YFCJQPJLLNLGBA-VIFPVBQESA-N	1	0	303.344	-0.598	20	5		DBBDRO
NC(=O)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1	ZINC001473737066	1009944100	/nfs/dbraw/zinc/94/41/00/1009944100.db2.gz	UCDKELLFKRRVRU-TXEJJXNPSA-N	1	0	309.322	-0.274	20	5		DBBDRO
CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001484407461	1012613346	/nfs/dbraw/zinc/61/33/46/1012613346.db2.gz	ZZNYFKVJAOCHOK-WRWGMCAJSA-N	1	0	310.354	-0.822	20	5		DBBDRO
O=C(NCC1([NH2+]CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001499220818	1018035165	/nfs/dbraw/zinc/03/51/65/1018035165.db2.gz	FSZYALFBXHWCRK-GHMZBOCLSA-N	1	0	310.354	-0.488	20	5		DBBDRO
CC1([NH2+]CC(=O)N2CCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001502779275	1019174971	/nfs/dbraw/zinc/17/49/71/1019174971.db2.gz	SZKCJDISKRVLLU-VXGBXAGGSA-N	1	0	324.381	-0.145	20	5		DBBDRO
O=C(c1ccccc1[N+](=O)[O-])N1CCN(C[C@@H](O)CO)CC1	ZINC001618222392	1019792475	/nfs/dbraw/zinc/79/24/75/1019792475.db2.gz	UDQDLGAGMVMRNZ-LLVKDONJSA-N	1	0	309.322	-0.294	20	5		DBBDRO
CN(C(=O)CN1C[C@H](CO)[C@H](O)C1)c1ccc([N+](=O)[O-])cc1	ZINC001618438612	1019796962	/nfs/dbraw/zinc/79/69/62/1019796962.db2.gz	MKMDGEWWNNKAHJ-ZWNOBZJWSA-N	1	0	309.322	-0.157	20	5		DBBDRO
CNc1nccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])c1[N+](=O)[O-]	ZINC001578763570	1020290618	/nfs/dbraw/zinc/29/06/18/1020290618.db2.gz	KRNNQBDKDFGEKX-SECBINFHSA-N	1	0	308.342	-0.254	20	5		DBBDRO
CCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001579139453	1020381726	/nfs/dbraw/zinc/38/17/26/1020381726.db2.gz	BGTRCHBVHYPPAN-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001580573931	1020754528	/nfs/dbraw/zinc/75/45/28/1020754528.db2.gz	GFTLWDOHWUZDBZ-LLVKDONJSA-N	1	0	318.333	-0.174	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC2(CC1)C[NH2+]CCO2	ZINC001580578651	1020754751	/nfs/dbraw/zinc/75/47/51/1020754751.db2.gz	KSSBWEHFSHFEEE-UHFFFAOYSA-N	1	0	309.326	-0.228	20	5		DBBDRO
O=C(N[C@@H]1C[NH2+]C[C@@H]1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001580747185	1020795689	/nfs/dbraw/zinc/79/56/89/1020795689.db2.gz	HXFHRKFSFMAYON-OLZOCXBDSA-N	1	0	317.305	-0.157	20	5		DBBDRO
O=Cc1ccc(OCC(=O)N2CC[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1	ZINC001580857726	1020808708	/nfs/dbraw/zinc/80/87/08/1020808708.db2.gz	BVSVYRQBLLVMDX-NSHDSACASA-N	1	0	323.305	-0.421	20	5		DBBDRO
O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@@H](O)C[C@H]1CO	ZINC001582804197	1020925378	/nfs/dbraw/zinc/92/53/78/1020925378.db2.gz	MYUVSBSXWAZXNN-IUCAKERBSA-N	1	0	320.309	-0.298	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1	ZINC001587976024	1021085656	/nfs/dbraw/zinc/08/56/56/1021085656.db2.gz	VTWFSXULPVDKBG-ZDUSSCGKSA-N	1	0	310.310	-0.166	20	5		DBBDRO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC001558702674	1023970030	/nfs/dbraw/zinc/97/00/30/1023970030.db2.gz	VZIUTOMPIPTFGU-NXEZZACHSA-N	1	0	309.326	-0.011	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC001558702413	1023970265	/nfs/dbraw/zinc/97/02/65/1023970265.db2.gz	RHYZLSWQTPSBGM-MNOVXSKESA-N	1	0	323.353	-0.001	20	5		DBBDRO
C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)CN1CCO	ZINC001559215440	1023983414	/nfs/dbraw/zinc/98/34/14/1023983414.db2.gz	AXWWMGNREUJNAM-NXEZZACHSA-N	1	0	323.353	-0.020	20	5		DBBDRO
O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12	ZINC001560096948	1024001667	/nfs/dbraw/zinc/00/16/67/1024001667.db2.gz	LHVZCCHDSRIADI-WCFLWFBJSA-N	1	0	323.353	-0.247	20	5		DBBDRO
CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001560166582	1024003676	/nfs/dbraw/zinc/00/36/76/1024003676.db2.gz	KSTOQSBYZMKAFU-VXGBXAGGSA-N	1	0	311.342	-0.247	20	5		DBBDRO
C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CC[NH+](C)CC1	ZINC000548059535	412501040	/nfs/dbraw/zinc/50/10/40/412501040.db2.gz	BCFBZLFZIXXYMP-JTQLQIEISA-N	1	0	322.369	-0.062	20	5		DBBDRO
C[N@@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000609075339	412505278	/nfs/dbraw/zinc/50/52/78/412505278.db2.gz	NYYRVBINIGZEEP-UHFFFAOYSA-N	1	0	309.374	-0.172	20	5		DBBDRO
Nc1nccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-]	ZINC000575070505	412520746	/nfs/dbraw/zinc/52/07/46/412520746.db2.gz	AHBFBYHEFWWVSA-SNVBAGLBSA-N	1	0	323.353	0.149	20	5		DBBDRO
Nc1nccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000599940152	412520974	/nfs/dbraw/zinc/52/09/74/412520974.db2.gz	LTRCFIVSLFFYBL-VHSXEESVSA-N	1	0	321.337	-0.147	20	5		DBBDRO
Nc1nccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-]	ZINC000575070504	412521539	/nfs/dbraw/zinc/52/15/39/412521539.db2.gz	AHBFBYHEFWWVSA-JTQLQIEISA-N	1	0	323.353	0.149	20	5		DBBDRO
Nc1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-]	ZINC000596539231	412524756	/nfs/dbraw/zinc/52/47/56/412524756.db2.gz	NBGDHKCLRMREBC-JTQLQIEISA-N	1	0	308.342	0.002	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000375796877	138183971	/nfs/dbraw/zinc/18/39/71/138183971.db2.gz	UGRKQLPBGZGCKI-CHWSQXEVSA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000375796880	138184504	/nfs/dbraw/zinc/18/45/04/138184504.db2.gz	UGRKQLPBGZGCKI-STQMWFEESA-N	1	0	323.353	-0.151	20	5		DBBDRO
C[C@@H](CN1CCCC1=O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000562492483	284011597	/nfs/dbraw/zinc/01/15/97/284011597.db2.gz	PRZBRMVSACHCCE-JQWIXIFHSA-N	1	0	311.342	-0.247	20	5		DBBDRO
CN(CC[NH3+])C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000562821429	284015912	/nfs/dbraw/zinc/01/59/12/284015912.db2.gz	BJXAGUZUPHIAHM-UHFFFAOYSA-N	1	0	310.310	-0.493	20	5		DBBDRO
[NH3+][C@H]1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000562821467	284016032	/nfs/dbraw/zinc/01/60/32/284016032.db2.gz	PUQOXBOBDGKSPS-JTQLQIEISA-N	1	0	322.321	-0.351	20	5		DBBDRO
O=C(CNc1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1	ZINC000563145924	284026562	/nfs/dbraw/zinc/02/65/62/284026562.db2.gz	GJHLLUAPHDVKRL-UHFFFAOYSA-N	1	0	321.337	-0.445	20	5		DBBDRO
CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC1C[NH2+]C1	ZINC000563648869	284046832	/nfs/dbraw/zinc/04/68/32/284046832.db2.gz	RJNMDRIXMNUDCB-UHFFFAOYSA-N	1	0	306.322	-0.316	20	5		DBBDRO
CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000564565726	284062156	/nfs/dbraw/zinc/06/21/56/284062156.db2.gz	WNJGLWRHUQOOKM-VXGBXAGGSA-N	1	0	311.342	-0.249	20	5		DBBDRO
CNC(=O)[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000565539867	284098503	/nfs/dbraw/zinc/09/85/03/284098503.db2.gz	FVUUNQRYJXZXOL-ZJUUUORDSA-N	1	0	313.310	-0.969	20	5		DBBDRO
CNC(=O)[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000565539865	284098515	/nfs/dbraw/zinc/09/85/15/284098515.db2.gz	FVUUNQRYJXZXOL-UWVGGRQHSA-N	1	0	313.310	-0.969	20	5		DBBDRO
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000598189159	376198849	/nfs/dbraw/zinc/19/88/49/376198849.db2.gz	XWKXWENAXROLGY-UHFFFAOYSA-N	1	0	312.330	-0.590	20	5		DBBDRO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)C1	ZINC000186949739	374284585	/nfs/dbraw/zinc/28/45/85/374284585.db2.gz	ONVVINZQOWZAPJ-GHMZBOCLSA-N	1	0	311.342	-0.295	20	5		DBBDRO
O=C([C@H]1C[NH2+]CCO1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000188222332	374358122	/nfs/dbraw/zinc/35/81/22/374358122.db2.gz	AJNUGMZCYOQZGG-CMPLNLGQSA-N	1	0	321.337	-0.009	20	5		DBBDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@]1(CO)CCOC1	ZINC000359791029	374373122	/nfs/dbraw/zinc/37/31/22/374373122.db2.gz	GHQIHXIOCZMUPG-RYUDHWBXSA-N	1	0	300.315	-0.765	20	5		DBBDRO
C[N@@H+]1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1(C)C	ZINC000281738001	374421824	/nfs/dbraw/zinc/42/18/24/374421824.db2.gz	JUEOWPVQYAHTJX-UHFFFAOYSA-N	1	0	324.385	-0.067	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000579470127	374559104	/nfs/dbraw/zinc/55/91/04/374559104.db2.gz	UZEOPZUEOAKWOZ-SNVBAGLBSA-N	1	0	321.337	-0.185	20	5		DBBDRO
[NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000165642814	374682398	/nfs/dbraw/zinc/68/23/98/374682398.db2.gz	YUNILATVWBMRTB-SNVBAGLBSA-N	1	0	301.324	-0.057	20	5		DBBDRO
O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000610506627	374689665	/nfs/dbraw/zinc/68/96/65/374689665.db2.gz	GHRVBLBFCPYASB-JFGNBEQYSA-N	1	0	309.326	-0.495	20	5		DBBDRO
C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000132260575	374805860	/nfs/dbraw/zinc/80/58/60/374805860.db2.gz	WOIZPHBPZBMMGV-VIFPVBQESA-N	1	0	303.340	-0.157	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](CO)C[NH+]1CCCC1	ZINC000588869926	374768317	/nfs/dbraw/zinc/76/83/17/374768317.db2.gz	QLSHKQPWFYRHKZ-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC000588861939	374769117	/nfs/dbraw/zinc/76/91/17/374769117.db2.gz	ZMLLHYPWHATPIV-PWSUYJOCSA-N	1	0	309.326	-0.541	20	5		DBBDRO
Cc1[nH]nc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000588863598	374769350	/nfs/dbraw/zinc/76/93/50/374769350.db2.gz	RGBDITXRECXCIV-UWVGGRQHSA-N	1	0	309.326	-0.093	20	5		DBBDRO
COCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000263758322	374925829	/nfs/dbraw/zinc/92/58/29/374925829.db2.gz	LFEDGQXPXDBIDO-UHFFFAOYSA-N	1	0	312.326	-0.549	20	5		DBBDRO
NS(=O)(=O)c1cccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-]	ZINC000612654751	375040016	/nfs/dbraw/zinc/04/00/16/375040016.db2.gz	JVIWYMNXGJPDKO-RKDXNWHRSA-N	1	0	312.351	-0.102	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1	ZINC000612085403	375024820	/nfs/dbraw/zinc/02/48/20/375024820.db2.gz	GWXDAQLWVHFIJK-TUAOUCFPSA-N	1	0	312.322	-0.238	20	5		DBBDRO
C[NH+](C)C[C@@H](CO)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000589101403	375451346	/nfs/dbraw/zinc/45/13/46/375451346.db2.gz	BTRNONZYQXXPLT-QMMMGPOBSA-N	1	0	318.355	-0.423	20	5		DBBDRO
NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC000264549936	375533471	/nfs/dbraw/zinc/53/34/71/375533471.db2.gz	CMLZMUCTDYAAPE-MRVPVSSYSA-N	1	0	309.330	-0.281	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)CN2CCCC2)c1	ZINC000566233101	375536219	/nfs/dbraw/zinc/53/62/19/375536219.db2.gz	XRRHFMVDKQOJGF-DGCLKSJQSA-N	1	0	313.358	-0.802	20	5		DBBDRO
O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000590371038	375527393	/nfs/dbraw/zinc/52/73/93/375527393.db2.gz	DBCZOWHRTSBQAH-VIFPVBQESA-N	1	0	310.310	-0.118	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOC[C@@H]2CCCO2)c1	ZINC000591740130	375743755	/nfs/dbraw/zinc/74/37/55/375743755.db2.gz	WCYDCZFCFQTDRC-OLZOCXBDSA-N	1	0	314.342	-0.063	20	5		DBBDRO
Cn1nnnc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000591757662	375744552	/nfs/dbraw/zinc/74/45/52/375744552.db2.gz	WGXYQRNOMXIRLE-SNVBAGLBSA-N	1	0	322.325	-0.310	20	5		DBBDRO
Cn1nnnc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000591757575	375744886	/nfs/dbraw/zinc/74/48/86/375744886.db2.gz	IEFMWNKSTVYZAK-LLVKDONJSA-N	1	0	322.325	-0.310	20	5		DBBDRO
[NH3+]CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000592445553	375804501	/nfs/dbraw/zinc/80/45/01/375804501.db2.gz	QOGREGICXSWLDP-UHFFFAOYSA-N	1	0	316.339	-0.662	20	5		DBBDRO
CN(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592429510	375804532	/nfs/dbraw/zinc/80/45/32/375804532.db2.gz	HNEKTXUKMAAOHE-RYUDHWBXSA-N	1	0	313.354	-0.153	20	5		DBBDRO
Cc1nn(C)c(C(=O)N(C)CCN2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000592469375	375807618	/nfs/dbraw/zinc/80/76/18/375807618.db2.gz	MGGZKUYQAKRVJD-UHFFFAOYSA-N	1	0	310.358	-0.386	20	5		DBBDRO
C[C@H]([NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000592547175	375811140	/nfs/dbraw/zinc/81/11/40/375811140.db2.gz	RQXVKFKGKJLDJZ-QMMMGPOBSA-N	1	0	316.339	-0.664	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC000592248913	375788887	/nfs/dbraw/zinc/78/88/87/375788887.db2.gz	FCSOALYDNAQDBE-JTQLQIEISA-N	1	0	321.337	-0.185	20	5		DBBDRO
O=C(Nc1ccncc1[N+](=O)[O-])N1CC(N2CC[C@@H](O)C2)C1	ZINC000593175956	375851447	/nfs/dbraw/zinc/85/14/47/375851447.db2.gz	MHAOTJOYDPBFBT-SNVBAGLBSA-N	1	0	307.310	-0.306	20	5		DBBDRO
O=C1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC000566969192	375859269	/nfs/dbraw/zinc/85/92/69/375859269.db2.gz	YCNSDKNBOJRBHJ-CABZTGNLSA-N	1	0	309.326	-0.495	20	5		DBBDRO
O=C1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC000566969191	375859575	/nfs/dbraw/zinc/85/95/75/375859575.db2.gz	YCNSDKNBOJRBHJ-BXKDBHETSA-N	1	0	309.326	-0.495	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CCN2C1=O	ZINC000594878370	375966141	/nfs/dbraw/zinc/96/61/41/375966141.db2.gz	HAJVNBWQVNRPOE-PSASIEDQSA-N	1	0	321.293	-0.921	20	5		DBBDRO
C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1	ZINC000595108178	375972555	/nfs/dbraw/zinc/97/25/55/375972555.db2.gz	IVEJIDGZRWDSFI-PSASIEDQSA-N	1	0	316.339	-0.274	20	5		DBBDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1	ZINC000595108181	375973420	/nfs/dbraw/zinc/97/34/20/375973420.db2.gz	IVEJIDGZRWDSFI-WPRPVWTQSA-N	1	0	316.339	-0.274	20	5		DBBDRO
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594393874	375924821	/nfs/dbraw/zinc/92/48/21/375924821.db2.gz	SFNVDDFOPOWOSI-VHSXEESVSA-N	1	0	308.294	-0.414	20	5		DBBDRO
[NH3+][C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@H]1F	ZINC000595267848	375986580	/nfs/dbraw/zinc/98/65/80/375986580.db2.gz	CKNZHLIJFGRURO-NXEZZACHSA-N	1	0	300.294	-0.128	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC2(C[NH2+]C2)C1	ZINC000596097852	376072452	/nfs/dbraw/zinc/07/24/52/376072452.db2.gz	HTGBVQJRRXHTKZ-UHFFFAOYSA-N	1	0	309.326	-0.309	20	5		DBBDRO
C[NH+](C)C1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1	ZINC000596180295	376073717	/nfs/dbraw/zinc/07/37/17/376073717.db2.gz	RRHHBUDTLIYPCG-UHFFFAOYSA-N	1	0	300.340	-0.008	20	5		DBBDRO
O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000598915998	376228462	/nfs/dbraw/zinc/22/84/62/376228462.db2.gz	SLHWUXKMUNZJPP-NSHDSACASA-N	1	0	308.294	-0.362	20	5		DBBDRO
C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599099875	376242411	/nfs/dbraw/zinc/24/24/11/376242411.db2.gz	FXHPMYBMOVTRKQ-JGVFFNPUSA-N	1	0	303.344	-0.314	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])n1	ZINC000599100722	376242729	/nfs/dbraw/zinc/24/27/29/376242729.db2.gz	MOITYQAFJLAIHO-HTQZYQBOSA-N	1	0	303.344	-0.124	20	5		DBBDRO
CC(C)[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[NH2+]1	ZINC000599099837	376242769	/nfs/dbraw/zinc/24/27/69/376242769.db2.gz	DQXXKZBHKVTPNK-SECBINFHSA-N	1	0	317.371	-0.053	20	5		DBBDRO
C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599099876	376242849	/nfs/dbraw/zinc/24/28/49/376242849.db2.gz	FXHPMYBMOVTRKQ-SFYZADRCSA-N	1	0	303.344	-0.314	20	5		DBBDRO
C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1	ZINC000599099828	376243260	/nfs/dbraw/zinc/24/32/60/376243260.db2.gz	DJJCJIDITLSYKT-HTQZYQBOSA-N	1	0	303.344	-0.301	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCCC2)n1	ZINC000599101409	376244043	/nfs/dbraw/zinc/24/40/43/376244043.db2.gz	PQJBKQORIYKMJX-UHFFFAOYSA-N	1	0	303.344	-0.122	20	5		DBBDRO
C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+]	ZINC000599102583	376245192	/nfs/dbraw/zinc/24/51/92/376245192.db2.gz	SDYFSLOBGCKSGW-LDYMZIIASA-N	1	0	317.371	-0.066	20	5		DBBDRO
C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599107194	376246482	/nfs/dbraw/zinc/24/64/82/376246482.db2.gz	KXJYPMXTDTZHOZ-SFYZADRCSA-N	1	0	303.344	-0.395	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1	ZINC000599108599	376246602	/nfs/dbraw/zinc/24/66/02/376246602.db2.gz	OREZKVWXWABPDI-BDAKNGLRSA-N	1	0	315.355	-0.299	20	5		DBBDRO
C[NH2+]CCOCCNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000599108504	376247014	/nfs/dbraw/zinc/24/70/14/376247014.db2.gz	ZIWKAKHVZOQESL-UHFFFAOYSA-N	1	0	304.328	-0.496	20	5		DBBDRO
[NH3+][C@H]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CCN2C1=O	ZINC000568415396	376505116	/nfs/dbraw/zinc/50/51/16/376505116.db2.gz	RTCDIXFROAAKKZ-BDAKNGLRSA-N	1	0	317.309	-0.614	20	5		DBBDRO
CC1(C)OCC(CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)CO1	ZINC000291103283	376512717	/nfs/dbraw/zinc/51/27/17/376512717.db2.gz	JNNIDYBWWUHHKS-UHFFFAOYSA-N	1	0	300.315	-0.105	20	5		DBBDRO
O=C1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCCN12	ZINC000568859497	376608346	/nfs/dbraw/zinc/60/83/46/376608346.db2.gz	MXZNJQTXDRFRQW-AGIUHOORSA-N	1	0	323.353	-0.105	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[NH2+]CCN1C	ZINC000568990790	376615990	/nfs/dbraw/zinc/61/59/90/376615990.db2.gz	DXCTXSVZGKDVQP-NSHDSACASA-N	1	0	310.358	-0.490	20	5		DBBDRO
C[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000315326957	376668479	/nfs/dbraw/zinc/66/84/79/376668479.db2.gz	MIKTZVBGYMTDSL-AAEUAGOBSA-N	1	0	313.358	-0.538	20	5		DBBDRO
CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O	ZINC000571416977	376757615	/nfs/dbraw/zinc/75/76/15/376757615.db2.gz	JFBZVFIMMDGECJ-JTQLQIEISA-N	1	0	312.326	-0.444	20	5		DBBDRO
Cc1nn(CCC(=O)NC[C@H]2C[NH2+]CCO2)c(C)c1[N+](=O)[O-]	ZINC000572713963	377036390	/nfs/dbraw/zinc/03/63/90/377036390.db2.gz	PAQNNSQXORNIKK-LLVKDONJSA-N	1	0	311.342	-0.097	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1	ZINC000343294870	377212436	/nfs/dbraw/zinc/21/24/36/377212436.db2.gz	JNNBWXPYCRMOHU-SECBINFHSA-N	1	0	324.341	-0.365	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1	ZINC000358047583	378398689	/nfs/dbraw/zinc/39/86/89/378398689.db2.gz	LVZGNGWRDSEVEJ-ZDUSSCGKSA-N	1	0	311.342	-0.327	20	5		DBBDRO
[NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1	ZINC000575400019	378621563	/nfs/dbraw/zinc/62/15/63/378621563.db2.gz	HRCZPCZUIVWLGC-QMMMGPOBSA-N	1	0	310.314	-0.755	20	5		DBBDRO
CC[N@H+](CCO)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000547387842	379840076	/nfs/dbraw/zinc/84/00/76/379840076.db2.gz	IXJKQVZTTRYRFL-UHFFFAOYSA-N	1	0	318.355	-0.418	20	5		DBBDRO
CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000584775749	379841330	/nfs/dbraw/zinc/84/13/30/379841330.db2.gz	RSTVMFJFUZJEIM-MWLCHTKSSA-N	1	0	320.371	-0.435	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000368370867	379811241	/nfs/dbraw/zinc/81/12/41/379811241.db2.gz	RUCMETXKUWYFSY-JQWIXIFHSA-N	1	0	306.322	-0.033	20	5		DBBDRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000619255422	379813633	/nfs/dbraw/zinc/81/36/33/379813633.db2.gz	YFXOJRPNSCFOTH-CYBMUJFWSA-N	1	0	311.342	-0.294	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1	ZINC000612085402	380360188	/nfs/dbraw/zinc/36/01/88/380360188.db2.gz	GWXDAQLWVHFIJK-GRYCIOLGSA-N	1	0	312.322	-0.238	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000237959863	380445605	/nfs/dbraw/zinc/44/56/05/380445605.db2.gz	MDGCOAKKDZNUGY-UHFFFAOYSA-N	1	0	321.337	-0.682	20	5		DBBDRO
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000238096242	380518792	/nfs/dbraw/zinc/51/87/92/380518792.db2.gz	YNBFIXVTLPLOBB-NWDGAFQWSA-N	1	0	320.349	-0.034	20	5		DBBDRO
C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C(N)=O)O1	ZINC000090552341	381143196	/nfs/dbraw/zinc/14/31/96/381143196.db2.gz	BHFCGYOFFDPOAA-KOLCDFICSA-N	1	0	310.310	-0.669	20	5		DBBDRO
C[NH2+]CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000419877025	382503813	/nfs/dbraw/zinc/50/38/13/382503813.db2.gz	QJKMFFVOXXRKGT-UHFFFAOYSA-N	1	0	322.321	-0.480	20	5		DBBDRO
C[NH2+]CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000419904253	382504817	/nfs/dbraw/zinc/50/48/17/382504817.db2.gz	XIZKHZQAQPAQJE-UHFFFAOYSA-N	1	0	306.322	-0.185	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@@H](C)C[NH2+]C)c([N+](=O)[O-])n1	ZINC000353217974	382640609	/nfs/dbraw/zinc/64/06/09/382640609.db2.gz	NCSZUVYJWILUJZ-QMMMGPOBSA-N	1	0	305.360	-0.055	20	5		DBBDRO
C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)C[NH+]1CCN(C)CC1	ZINC000356461042	382644516	/nfs/dbraw/zinc/64/45/16/382644516.db2.gz	RHLVBLZCUIRVHK-LLVKDONJSA-N	1	0	324.385	-0.058	20	5		DBBDRO
COC[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[NH2+]1	ZINC000357278302	382645203	/nfs/dbraw/zinc/64/52/03/382645203.db2.gz	ZCNVBIXONJCFFY-CQSZACIVSA-N	1	0	324.337	-0.359	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1	ZINC000226615195	382637069	/nfs/dbraw/zinc/63/70/69/382637069.db2.gz	BSDUXGXDOLTODS-NSHDSACASA-N	1	0	314.367	-0.142	20	5		DBBDRO
CN(C(=O)CN1C[C@H](O)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1	ZINC000245742159	382693874	/nfs/dbraw/zinc/69/38/74/382693874.db2.gz	WAUDOTAITZGQDH-QWHCGFSZSA-N	1	0	309.322	-0.015	20	5		DBBDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000366951460	220854497	/nfs/dbraw/zinc/85/44/97/220854497.db2.gz	KZTLFHGOYDZUQF-ONGXEEELSA-N	1	0	312.301	-0.085	20	5		DBBDRO
CNS(=O)(=O)CCNCc1cc(OC)c(O)cc1[N+](=O)[O-]	ZINC000275801663	130389114	/nfs/dbraw/zinc/38/91/14/130389114.db2.gz	CZLJWSJJEFFQNM-UHFFFAOYSA-N	1	0	319.339	-0.052	20	5		DBBDRO
CN(C)C(=O)NCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000348946448	392002686	/nfs/dbraw/zinc/00/26/86/392002686.db2.gz	GKQNIFYOCALAFV-UHFFFAOYSA-N	1	0	311.342	-0.041	20	5		DBBDRO
C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCN(C)CC1	ZINC000193571183	391975298	/nfs/dbraw/zinc/97/52/98/391975298.db2.gz	JSFIOUSVDRQXJX-GFCCVEGCSA-N	1	0	324.385	-0.209	20	5		DBBDRO
C[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1	ZINC000419457760	392139571	/nfs/dbraw/zinc/13/95/71/392139571.db2.gz	AEISQXHXBDWJKK-UWVGGRQHSA-N	1	0	324.341	-0.884	20	5		DBBDRO
C[C@@H](C[NH3+])CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000419041970	392139671	/nfs/dbraw/zinc/13/96/71/392139671.db2.gz	OJBIGIKSKYESEI-JTQLQIEISA-N	1	0	308.338	-0.036	20	5		DBBDRO
C[C@@H](C[NH3+])CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000418919645	392139709	/nfs/dbraw/zinc/13/97/09/392139709.db2.gz	GDAANOODSVFKIL-JTQLQIEISA-N	1	0	308.338	-0.036	20	5		DBBDRO
CC[NH2+]CCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000418873483	392139895	/nfs/dbraw/zinc/13/98/95/392139895.db2.gz	TUYUIMYXFXLXGX-UHFFFAOYSA-N	1	0	308.338	-0.021	20	5		DBBDRO
C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000419470574	392139941	/nfs/dbraw/zinc/13/99/41/392139941.db2.gz	YJDFCHCJAKXLFC-VHSXEESVSA-N	1	0	324.341	-0.884	20	5		DBBDRO
CN(CC[NH3+])C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000423993553	392141941	/nfs/dbraw/zinc/14/19/41/392141941.db2.gz	AXPFFKPKJFSRQL-UHFFFAOYSA-N	1	0	316.339	-0.710	20	5		DBBDRO
CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000429790374	392150400	/nfs/dbraw/zinc/15/04/00/392150400.db2.gz	TVRUKWNRZAQVKW-UTUOFQBUSA-N	1	0	311.342	-0.344	20	5		DBBDRO
NS(=O)(=O)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC000350167873	392153716	/nfs/dbraw/zinc/15/37/16/392153716.db2.gz	XNMAVAKHOVFLMV-SNVBAGLBSA-N	1	0	317.371	-0.208	20	5		DBBDRO
C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1	ZINC000350978591	392155625	/nfs/dbraw/zinc/15/56/25/392155625.db2.gz	HAHRDAZCCDFGPI-UHFFFAOYSA-N	1	0	309.326	-0.242	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1	ZINC000226616506	392156788	/nfs/dbraw/zinc/15/67/88/392156788.db2.gz	GIWNUGBTIREEAD-NSHDSACASA-N	1	0	314.367	-0.142	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000171133702	392161759	/nfs/dbraw/zinc/16/17/59/392161759.db2.gz	LTUQUWYTIFBAFN-LLVKDONJSA-N	1	0	324.385	-0.148	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000394451266	392363473	/nfs/dbraw/zinc/36/34/73/392363473.db2.gz	LTJOJKPKYUQWPE-JTQLQIEISA-N	1	0	314.367	-0.223	20	5		DBBDRO
C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C[NH+]1CCN(C)CC1	ZINC000285531065	131177333	/nfs/dbraw/zinc/17/73/33/131177333.db2.gz	KWOHUQDDMQCTPE-SNVBAGLBSA-N	1	0	310.358	-0.069	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](CO)C[NH+]1CCCCC1	ZINC000288441342	131325251	/nfs/dbraw/zinc/32/52/51/131325251.db2.gz	IOMFCXMQUYSXNS-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
[NH3+]CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000262726462	392560370	/nfs/dbraw/zinc/56/03/70/392560370.db2.gz	ASZHCTONDXEBIV-UHFFFAOYSA-N	1	0	303.296	-0.397	20	5		DBBDRO
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1	ZINC000566496291	392806782	/nfs/dbraw/zinc/80/67/82/392806782.db2.gz	QPWRSRFBJDBMEF-WPRPVWTQSA-N	1	0	319.321	-0.439	20	5		DBBDRO
[NH3+]CCN(CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000342389796	392834372	/nfs/dbraw/zinc/83/43/72/392834372.db2.gz	PDGYGMVEBDBEMZ-UHFFFAOYSA-N	1	0	308.338	-0.263	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1	ZINC000420263678	412308522	/nfs/dbraw/zinc/30/85/22/412308522.db2.gz	CJXAIYZSLTTZDM-SNVBAGLBSA-N	1	0	318.337	0.559	20	5		DBBDRO
CNc1nccc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-]	ZINC000565674839	412338088	/nfs/dbraw/zinc/33/80/88/412338088.db2.gz	MASKXTGUVXASAT-ZDUSSCGKSA-N	1	0	311.342	0.074	20	5		DBBDRO
CNc1nccc(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000569740743	412339038	/nfs/dbraw/zinc/33/90/38/412339038.db2.gz	VKGWWEKHARMIQH-UHFFFAOYSA-N	1	0	311.342	0.340	20	5		DBBDRO
C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000361088436	418942706	/nfs/dbraw/zinc/94/27/06/418942706.db2.gz	ZICALIUGPAHNPZ-NSHDSACASA-N	1	0	310.310	-0.428	20	5		DBBDRO
NS(=O)(=O)c1ccc(OC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1	ZINC000116884216	544688454	/nfs/dbraw/zinc/68/84/54/544688454.db2.gz	OTKDYAAENIUUAO-MRVPVSSYSA-N	1	0	317.323	-0.391	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000434457142	266050668	/nfs/dbraw/zinc/05/06/68/266050668.db2.gz	SSEKZKOPEUGFMZ-SNVBAGLBSA-N	1	0	312.330	-0.851	20	5		DBBDRO
O=C1C[C@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CN1	ZINC000434759597	266055149	/nfs/dbraw/zinc/05/51/49/266055149.db2.gz	WUEWBGCYZFQXSD-CQSZACIVSA-N	1	0	306.322	-0.032	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1CO	ZINC000274154827	280375624	/nfs/dbraw/zinc/37/56/24/280375624.db2.gz	JNCHACORGSTPLD-QJPTWQEYSA-N	1	0	312.322	-0.238	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000264585414	295110104	/nfs/dbraw/zinc/11/01/04/295110104.db2.gz	VFAJFYPCHOCGFH-JTQLQIEISA-N	1	0	324.341	-0.753	20	5		DBBDRO
O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1C[NH2+]C1	ZINC000569336280	331817448	/nfs/dbraw/zinc/81/74/48/331817448.db2.gz	MYROYLHVUIUAHM-UHFFFAOYSA-N	1	0	312.713	-0.048	20	5		DBBDRO
O=C(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1	ZINC000317412524	332720607	/nfs/dbraw/zinc/72/06/07/332720607.db2.gz	NIRYCHBIGJBJHD-LBPRGKRZSA-N	1	0	311.342	-0.246	20	5		DBBDRO
O=C(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+]CC1	ZINC000388410052	333300263	/nfs/dbraw/zinc/30/02/63/333300263.db2.gz	OMWDISCOUNGVLB-UHFFFAOYSA-N	1	0	310.285	-0.105	20	5		DBBDRO
COC[C@](C)(O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000582296689	336894256	/nfs/dbraw/zinc/89/42/56/336894256.db2.gz	RHYZXJCUYVFMRD-NWDGAFQWSA-N	1	0	302.331	-0.471	20	5		DBBDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000584540701	337359748	/nfs/dbraw/zinc/35/97/48/337359748.db2.gz	INZQTKXURNKBLI-NWDGAFQWSA-N	1	0	318.333	-0.092	20	5		DBBDRO
NC(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000566489873	341559666	/nfs/dbraw/zinc/55/96/66/341559666.db2.gz	CQLKZTWZRJAOCZ-ZJUUUORDSA-N	1	0	319.321	-0.558	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O	ZINC000574054657	341747150	/nfs/dbraw/zinc/74/71/50/341747150.db2.gz	MOSDGPXAJDEEJM-ONGXEEELSA-N	1	0	304.306	-0.021	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCO[C@H]2CCOC2)c1	ZINC000576029959	341821203	/nfs/dbraw/zinc/82/12/03/341821203.db2.gz	HYSLVKGIVCOLDP-OLZOCXBDSA-N	1	0	314.342	-0.063	20	5		DBBDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000576279954	341837836	/nfs/dbraw/zinc/83/78/36/341837836.db2.gz	MBQWKSAUOSBMFC-UHFFFAOYSA-N	1	0	321.337	-0.319	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000576957950	341872109	/nfs/dbraw/zinc/87/21/09/341872109.db2.gz	XUADBUKFEJFKGS-ZYHUDNBSSA-N	1	0	319.321	-0.318	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000337573198	521854414	/nfs/dbraw/zinc/85/44/14/521854414.db2.gz	SSWORAUBXMKGDI-ZDUSSCGKSA-N	1	0	313.358	-0.045	20	5		DBBDRO
Cc1c(C(=O)NCCC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000269112268	525610298	/nfs/dbraw/zinc/61/02/98/525610298.db2.gz	FNHYIHJNFZMVCR-UHFFFAOYSA-N	1	0	316.339	-0.371	20	5		DBBDRO
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000238096216	526565389	/nfs/dbraw/zinc/56/53/89/526565389.db2.gz	QTAKHIBETVIIKQ-UONOGXRCSA-N	1	0	320.349	-0.034	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000358096388	536475369	/nfs/dbraw/zinc/47/53/69/536475369.db2.gz	QYGKALFLZYDVSY-CQSZACIVSA-N	1	0	322.321	-0.284	20	5		DBBDRO
COCCOCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000289120237	536493863	/nfs/dbraw/zinc/49/38/63/536493863.db2.gz	WXCNFHRMKMDTBE-LBPRGKRZSA-N	1	0	302.331	-0.253	20	5		DBBDRO
O=C(COc1ccccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1	ZINC000238006687	526995672	/nfs/dbraw/zinc/99/56/72/526995672.db2.gz	QJMLHWHAUINFPD-UHFFFAOYSA-N	1	0	308.338	-0.005	20	5		DBBDRO
O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1	ZINC000157371281	527392530	/nfs/dbraw/zinc/39/25/30/527392530.db2.gz	QJDXBJINZNOISU-JTQLQIEISA-N	1	0	301.324	-0.139	20	5		DBBDRO
O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266504131	527490527	/nfs/dbraw/zinc/49/05/27/527490527.db2.gz	BDGXTFKNSZRKNM-STQMWFEESA-N	1	0	323.353	-0.105	20	5		DBBDRO
COC[C@@](C)([NH3+])CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000736969598	598914452	/nfs/dbraw/zinc/91/44/52/598914452.db2.gz	WXFARWSFMXJWEN-NSHDSACASA-N	1	0	308.302	-0.054	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)c1	ZINC000738369321	598500029	/nfs/dbraw/zinc/50/00/29/598500029.db2.gz	KVHKBZRSSOPZPN-OCAPTIKFSA-N	1	0	302.298	-0.175	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000825856116	607738298	/nfs/dbraw/zinc/73/82/98/607738298.db2.gz	OFBYVAHZOFPDRS-LBPRGKRZSA-N	1	0	322.329	-0.106	20	5		DBBDRO
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000823614728	606700163	/nfs/dbraw/zinc/70/01/63/606700163.db2.gz	RUWFWVJGRRSCFG-OCAPTIKFSA-N	1	0	302.298	-0.175	20	5		DBBDRO
CN(C)C(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000981765218	665874139	/nfs/dbraw/zinc/87/41/39/665874139.db2.gz	VKHFXQKUAFRXNZ-VXGBXAGGSA-N	1	0	324.381	-0.336	20	5		DBBDRO
C[C@]12CN(CC(N)=O)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2	ZINC000982279035	665937240	/nfs/dbraw/zinc/93/72/40/665937240.db2.gz	ZJFXMBFOIZRURG-MHWZDGSBSA-N	1	0	310.354	-0.693	20	5		DBBDRO
CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001022064161	664205353	/nfs/dbraw/zinc/20/53/53/664205353.db2.gz	YUVLOMHUNCNWQM-RBLKWDMZSA-N	1	0	308.342	-0.300	20	5		DBBDRO
CC(C)(C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)[NH+]1CCCC1	ZINC000991289124	674655066	/nfs/dbraw/zinc/65/50/66/674655066.db2.gz	WOUWEZQVWFAAFO-VXGBXAGGSA-N	1	0	324.381	-0.147	20	5		DBBDRO
C[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000973254300	665014773	/nfs/dbraw/zinc/01/47/73/665014773.db2.gz	JSHKQKJGVPNJHS-FDYHWXHSSA-N	1	0	324.381	-0.243	20	5		DBBDRO
Cn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1	ZINC001025775917	665085810	/nfs/dbraw/zinc/08/58/10/665085810.db2.gz	QIPWLQVAQGIYST-RGDJUOJXSA-N	1	0	319.365	-0.326	20	5		DBBDRO
O=C(N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000974115760	665170233	/nfs/dbraw/zinc/17/02/33/665170233.db2.gz	XOGFFXHOXLIHOS-WRWGMCAJSA-N	1	0	322.365	-0.489	20	5		DBBDRO
C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C	ZINC000896569596	671412144	/nfs/dbraw/zinc/41/21/44/671412144.db2.gz	UWZKUTZVHRAURU-AAEUAGOBSA-N	1	0	324.385	-0.068	20	5		DBBDRO
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[N@H+](C)CCN1C	ZINC000896571262	671412461	/nfs/dbraw/zinc/41/24/61/671412461.db2.gz	PJADXXSQYCCUFL-WDEREUQCSA-N	1	0	310.358	-0.458	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CC2)OCCO3)c1	ZINC000075637120	671863308	/nfs/dbraw/zinc/86/33/08/671863308.db2.gz	NTHJTTJRLSVDFV-LBPRGKRZSA-N	1	0	312.326	-0.009	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000941008038	677742820	/nfs/dbraw/zinc/74/28/20/677742820.db2.gz	VRKWOYJVEVVXKT-CHWSQXEVSA-N	1	0	324.381	-0.192	20	5		DBBDRO
O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCC1	ZINC000996428410	678247446	/nfs/dbraw/zinc/24/74/46/678247446.db2.gz	BVJSDGCWSMRTKL-VXGBXAGGSA-N	1	0	310.354	-0.536	20	5		DBBDRO
Cn1cnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000997768715	678509289	/nfs/dbraw/zinc/50/92/89/678509289.db2.gz	IYJOZRFOFFWHNK-VXGBXAGGSA-N	1	0	322.369	-0.192	20	5		DBBDRO
NC(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC001000152350	678804679	/nfs/dbraw/zinc/80/46/79/678804679.db2.gz	DSKXPPKUJKBFDL-GHMZBOCLSA-N	1	0	310.354	-0.502	20	5		DBBDRO
CNC(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC001000153946	678805035	/nfs/dbraw/zinc/80/50/35/678805035.db2.gz	NHPDPCUDMJNVSM-VXGBXAGGSA-N	1	0	324.381	-0.242	20	5		DBBDRO
C[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001001795833	678958977	/nfs/dbraw/zinc/95/89/77/678958977.db2.gz	KMQOISRDJFMDDS-CHWSQXEVSA-N	1	0	324.381	-0.432	20	5		DBBDRO
Cn1cncc1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001804655	678959447	/nfs/dbraw/zinc/95/94/47/678959447.db2.gz	DJMVIZJLLQGMFN-VXGBXAGGSA-N	1	0	321.337	-0.798	20	5		DBBDRO
C[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001002927739	679011326	/nfs/dbraw/zinc/01/13/26/679011326.db2.gz	YUCDZBDESJDBPI-CHWSQXEVSA-N	1	0	324.381	-0.432	20	5		DBBDRO
COc1nc(N2CCN3CC[NH2+]C[C@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001164398636	718833758	/nfs/dbraw/zinc/83/37/58/718833758.db2.gz	IFLQLQGFAKUSHH-VIFPVBQESA-N	1	0	324.341	-0.504	20	5		DBBDRO
COC[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000843080103	805607824	/nfs/dbraw/zinc/60/78/24/805607824.db2.gz	GOYKWDSYFKWNFE-NWDGAFQWSA-N	1	0	300.311	-0.069	20	5		DBBDRO
CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000843110150	805608418	/nfs/dbraw/zinc/60/84/18/805608418.db2.gz	KTLMEQBIQVOCMN-PWSUYJOCSA-N	1	0	313.310	-0.969	20	5		DBBDRO
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)cc1	ZINC000843117611	805609788	/nfs/dbraw/zinc/60/97/88/805609788.db2.gz	QUQBVZPQPPBEHV-OLZOCXBDSA-N	1	0	307.310	-0.130	20	5		DBBDRO
C[C@@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000843469931	805626395	/nfs/dbraw/zinc/62/63/95/805626395.db2.gz	BPNXEUGDKCBLJP-QMMMGPOBSA-N	1	0	316.339	-0.664	20	5		DBBDRO
CN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001299369357	805881537	/nfs/dbraw/zinc/88/15/37/805881537.db2.gz	NCYYGUVDFNVIKR-CHWSQXEVSA-N	1	0	324.381	-0.195	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1	ZINC001307189401	805929040	/nfs/dbraw/zinc/92/90/40/805929040.db2.gz	FOJHFHBKPUQWDG-ZDUSSCGKSA-N	1	0	309.326	-0.409	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)n1	ZINC000858613088	806153151	/nfs/dbraw/zinc/15/31/51/806153151.db2.gz	RXJAWQHGGNCIBM-SFYZADRCSA-N	1	0	301.328	-0.689	20	5		DBBDRO
CNC(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	ZINC001318990488	806337412	/nfs/dbraw/zinc/33/74/12/806337412.db2.gz	LBVCECXJFXOFHL-CHWSQXEVSA-N	1	0	320.349	-0.196	20	5		DBBDRO
CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000863586097	806366284	/nfs/dbraw/zinc/36/62/84/806366284.db2.gz	ATXDBDIWCLGCDL-PSASIEDQSA-N	1	0	301.303	-0.850	20	5		DBBDRO
C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCN(C)CC1	ZINC001320398786	806485457	/nfs/dbraw/zinc/48/54/57/806485457.db2.gz	KOYYCNGCAMBZKH-LLVKDONJSA-N	1	0	324.385	-0.058	20	5		DBBDRO
O=c1cc2c(n[nH]1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC001320408928	806486592	/nfs/dbraw/zinc/48/65/92/806486592.db2.gz	TUWQZEDMYVXYDQ-LLVKDONJSA-N	1	0	320.309	-0.294	20	5		DBBDRO
O=C1C[C@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1	ZINC001322285533	806729529	/nfs/dbraw/zinc/72/95/29/806729529.db2.gz	CIZBSDANNLTDAO-DGCLKSJQSA-N	1	0	309.326	-0.636	20	5		DBBDRO
CN1CCN(C(=O)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000876985091	806818322	/nfs/dbraw/zinc/81/83/22/806818322.db2.gz	STOIKMDYNJAFDV-UHFFFAOYSA-N	1	0	322.369	-0.142	20	5		DBBDRO
C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2	ZINC000877375894	806835320	/nfs/dbraw/zinc/83/53/20/806835320.db2.gz	HQZXVFZJCVMNDY-IINYFYTJSA-N	1	0	306.322	-0.176	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001323633906	806897847	/nfs/dbraw/zinc/89/78/47/806897847.db2.gz	FMRJRTPIXNBANO-RYUDHWBXSA-N	1	0	323.353	-0.233	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001323633904	806898089	/nfs/dbraw/zinc/89/80/89/806898089.db2.gz	FMRJRTPIXNBANO-NEPJUHHUSA-N	1	0	323.353	-0.233	20	5		DBBDRO
COCC[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001324321391	806963485	/nfs/dbraw/zinc/96/34/85/806963485.db2.gz	UZVHGOZDPFACKY-UHFFFAOYSA-N	1	0	312.330	-0.587	20	5		DBBDRO
CN1C(=O)NC2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1=O	ZINC000131483094	803815288	/nfs/dbraw/zinc/81/52/88/803815288.db2.gz	XJQXCVONILZHIQ-UHFFFAOYSA-N	1	0	322.325	-0.193	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC3(C2)OCCO3)c1	ZINC000136152740	803817071	/nfs/dbraw/zinc/81/70/71/803817071.db2.gz	HLRKQEVJWDIGNG-LBPRGKRZSA-N	1	0	312.326	-0.009	20	5		DBBDRO
CC1([NH2+]CCn2cncn2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001281489528	804182077	/nfs/dbraw/zinc/18/20/77/804182077.db2.gz	MHUPPRXKDSEEJL-VXGBXAGGSA-N	1	0	322.369	-0.086	20	5		DBBDRO
CCOCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001281810233	804219247	/nfs/dbraw/zinc/21/92/47/804219247.db2.gz	RCOFGLJEGYMPPU-VXGBXAGGSA-N	1	0	315.370	-0.369	20	5		DBBDRO
Cc1nc[nH]c1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001283246849	804466048	/nfs/dbraw/zinc/46/60/48/804466048.db2.gz	QIOCQUVTARQBTJ-MWLCHTKSSA-N	1	0	309.326	-0.452	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC001284165918	804650289	/nfs/dbraw/zinc/65/02/89/804650289.db2.gz	DZAPAQYUADGZNI-DIACKHNESA-N	1	0	324.381	-0.435	20	5		DBBDRO
O=C1CNC(=O)N1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000819065852	805121516	/nfs/dbraw/zinc/12/15/16/805121516.db2.gz	OXMZHJFBKKADOA-NSHDSACASA-N	1	0	308.294	-0.230	20	5		DBBDRO
NC(=O)C1=NO[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000819252678	805124713	/nfs/dbraw/zinc/12/47/13/805124713.db2.gz	JCYORDQDBKOKQI-PWSUYJOCSA-N	1	0	308.294	-0.152	20	5		DBBDRO
NC(=O)C1=NO[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000819252773	805125181	/nfs/dbraw/zinc/12/51/81/805125181.db2.gz	KKIFXCNRMGDPSI-PWSUYJOCSA-N	1	0	308.294	-0.152	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001293307287	805411032	/nfs/dbraw/zinc/41/10/32/805411032.db2.gz	QDPGRHOEZOMGCR-GHMZBOCLSA-N	1	0	300.359	-0.386	20	5		DBBDRO
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839625797	805557534	/nfs/dbraw/zinc/55/75/34/805557534.db2.gz	WBJUXLMRIJPPHB-GRYCIOLGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
[NH3+][C@@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1	ZINC001325755754	807100268	/nfs/dbraw/zinc/10/02/68/807100268.db2.gz	HKMNJIINGQPJGW-LLVKDONJSA-N	1	0	304.306	-0.003	20	5		DBBDRO
O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COC2CCOCC2)c1	ZINC001325844506	807109597	/nfs/dbraw/zinc/10/95/97/807109597.db2.gz	WANJPVIYNFXNJQ-GFCCVEGCSA-N	1	0	314.342	-0.063	20	5		DBBDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC001327828991	807342438	/nfs/dbraw/zinc/34/24/38/807342438.db2.gz	JYTHPQBTEJHSBJ-JTQLQIEISA-N	1	0	308.338	-0.022	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)Cc2ccncc2)c1	ZINC001328411190	807423275	/nfs/dbraw/zinc/42/32/75/807423275.db2.gz	CITYEAPRRSKMHU-TZMCWYRMSA-N	1	0	321.337	-0.260	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001328965943	807496829	/nfs/dbraw/zinc/49/68/29/807496829.db2.gz	TWUFOHFFQZPZEA-GXSJLCMTSA-N	1	0	321.337	-0.147	20	5		DBBDRO
COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-]	ZINC001328975869	807498347	/nfs/dbraw/zinc/49/83/47/807498347.db2.gz	UVQVXGDTHOXUQH-SNVBAGLBSA-N	1	0	322.321	-0.302	20	5		DBBDRO
C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC001329191698	807536364	/nfs/dbraw/zinc/53/63/64/807536364.db2.gz	OLPWILPJJNIODK-JGVFFNPUSA-N	1	0	303.344	-0.314	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000935842101	808059200	/nfs/dbraw/zinc/05/92/00/808059200.db2.gz	DEXXSOPMQRFCLD-GFCCVEGCSA-N	1	0	322.369	-0.394	20	5		DBBDRO
C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C	ZINC001333734161	808092676	/nfs/dbraw/zinc/09/26/76/808092676.db2.gz	ATSDFRHERQDQQJ-NXEZZACHSA-N	1	0	310.358	-0.308	20	5		DBBDRO
C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001334932745	808213717	/nfs/dbraw/zinc/21/37/17/808213717.db2.gz	DVYZIDUIFGEBTD-JGVFFNPUSA-N	1	0	303.344	-0.171	20	5		DBBDRO
NS(=O)(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC001336051127	808339462	/nfs/dbraw/zinc/33/94/62/808339462.db2.gz	MAIILZFDXVMBJA-UHFFFAOYSA-N	1	0	303.344	-0.456	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccncc2)c1	ZINC001336729095	808412862	/nfs/dbraw/zinc/41/28/62/808412862.db2.gz	XYQGTFLHOJAQCZ-OLZOCXBDSA-N	1	0	307.310	-0.130	20	5		DBBDRO
CN(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)F	ZINC001336774727	808416084	/nfs/dbraw/zinc/41/60/84/808416084.db2.gz	WXYULOZYMMILSS-SNVBAGLBSA-N	1	0	307.301	-0.061	20	5		DBBDRO
O=C(C[NH2+][C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCC1	ZINC001034643797	814709930	/nfs/dbraw/zinc/70/99/30/814709930.db2.gz	SOQMDDNTEODSEW-FDYHWXHSSA-N	1	0	324.381	-0.099	20	5		DBBDRO
CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001045436661	816631801	/nfs/dbraw/zinc/63/18/01/816631801.db2.gz	UGMQDXDXJXBZSH-GHMZBOCLSA-N	1	0	312.370	-0.290	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1	ZINC001048812780	817447051	/nfs/dbraw/zinc/44/70/51/817447051.db2.gz	PZVBRWJYWSCOIF-XJFOESAGSA-N	1	0	319.365	-0.062	20	5		DBBDRO
Cn1cncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048814343	817447729	/nfs/dbraw/zinc/44/77/29/817447729.db2.gz	GCEBMOCLHNQIKV-ZMJPVWNMSA-N	1	0	319.365	-0.025	20	5		DBBDRO
Cn1nncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048814277	817448058	/nfs/dbraw/zinc/44/80/58/817448058.db2.gz	CEASMEWNQNBCQL-LYIQGSDWSA-N	1	0	320.353	-0.630	20	5		DBBDRO
Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086082886	825175240	/nfs/dbraw/zinc/17/52/40/825175240.db2.gz	GWKVNOJCHHQEPD-LMLFDSFASA-N	1	0	308.342	-0.535	20	5		DBBDRO
Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363187	825242959	/nfs/dbraw/zinc/24/29/59/825242959.db2.gz	GWKVNOJCHHQEPD-GWOFURMSSA-N	1	0	308.342	-0.535	20	5		DBBDRO
O=C(NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001086363796	825242896	/nfs/dbraw/zinc/24/28/96/825242896.db2.gz	JUGYEUYYODYLHC-DDHJBXDOSA-N	1	0	308.342	-0.572	20	5		DBBDRO
C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC001097096883	826410161	/nfs/dbraw/zinc/41/01/61/826410161.db2.gz	WYXUXDQSORRIKB-KYZUINATSA-N	1	0	323.357	-0.022	20	5		DBBDRO
CCOC(=O)[C@H](N)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001161950803	833065837	/nfs/dbraw/zinc/06/58/37/833065837.db2.gz	ODAALARXAFXCGD-MRVPVSSYSA-N	1	0	310.314	-0.626	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])ncc1N(CC[NH3+])S(C)(=O)=O	ZINC001162131357	833077545	/nfs/dbraw/zinc/07/75/45/833077545.db2.gz	UBWLNJQXWKSSIB-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCO)CC1	ZINC001162270738	833085112	/nfs/dbraw/zinc/08/51/12/833085112.db2.gz	PPTVABUTDIHZNE-VXGBXAGGSA-N	1	0	315.370	-0.511	20	5		DBBDRO
Cc1ncc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(=O)[nH]1	ZINC001162306114	833088634	/nfs/dbraw/zinc/08/86/34/833088634.db2.gz	TXPXLBWMPCZQCF-QMMMGPOBSA-N	1	0	303.282	-0.119	20	5		DBBDRO
NC(=O)c1ccnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-]	ZINC001163101783	833134401	/nfs/dbraw/zinc/13/44/01/833134401.db2.gz	VQHQICSYYGGZKA-SZEHBUNVSA-N	1	0	307.310	-0.265	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12	ZINC001163094803	833133598	/nfs/dbraw/zinc/13/35/98/833133598.db2.gz	RXBFBPBSUJPPMV-AVPPRXQKSA-N	1	0	307.310	-0.265	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)N1	ZINC001163236331	833140539	/nfs/dbraw/zinc/14/05/39/833140539.db2.gz	HRAUPGNAMFITCV-KRTXAFLBSA-N	1	0	303.282	-0.144	20	5		DBBDRO
NC(=O)c1ccnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-]	ZINC001163239467	833141177	/nfs/dbraw/zinc/14/11/77/833141177.db2.gz	GCRVFPYBKYPDMS-JVXZTZIISA-N	1	0	306.282	-0.921	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@@]2([N-]c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])N1	ZINC001163243787	833142122	/nfs/dbraw/zinc/14/21/22/833142122.db2.gz	XEGZWOKFXGNGHH-OQPBUACISA-N	1	0	319.325	-0.938	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001163255463	833143550	/nfs/dbraw/zinc/14/35/50/833143550.db2.gz	WNKLIVTZSLNAAK-NOZJJQNGSA-N	1	0	321.293	-0.234	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])c3nncn3c2)N1	ZINC001163254756	833143632	/nfs/dbraw/zinc/14/36/32/833143632.db2.gz	UMWKSXLSJCPECJ-CABZTGNLSA-N	1	0	303.282	-0.373	20	5		DBBDRO
COCC1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001163730718	833165306	/nfs/dbraw/zinc/16/53/06/833165306.db2.gz	SFUZXTNPKRAOFG-UHFFFAOYSA-N	1	0	308.342	-0.123	20	5		DBBDRO
CS(=O)(=O)c1ccc(N(CC[NH3+])CCO)c([N+](=O)[O-])c1	ZINC001163839236	833173048	/nfs/dbraw/zinc/17/30/48/833173048.db2.gz	GHNHYKRSSIVMTK-UHFFFAOYSA-N	1	0	303.340	-0.244	20	5		DBBDRO
CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001105235557	827412348	/nfs/dbraw/zinc/41/23/48/827412348.db2.gz	JKEBMFPGZARXRB-VXGBXAGGSA-N	1	0	308.342	-0.174	20	5		DBBDRO
CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C2)n1	ZINC001164275781	833199752	/nfs/dbraw/zinc/19/97/52/833199752.db2.gz	QMSCNJJLDCHLMT-RXMQYKEDSA-N	1	0	321.746	-0.021	20	5		DBBDRO
C[C@]1(O)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001165226936	833231261	/nfs/dbraw/zinc/23/12/61/833231261.db2.gz	BNXGFUPTLCHHEY-ZDUSSCGKSA-N	1	0	308.342	-0.245	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c([N+](=O)[O-])c1	ZINC001165283574	833236160	/nfs/dbraw/zinc/23/61/60/833236160.db2.gz	BQQPPSUJKVQKGM-PELKAZGASA-N	1	0	309.282	-0.084	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCOCC12C[NH2+]C2	ZINC001165287692	833236971	/nfs/dbraw/zinc/23/69/71/833236971.db2.gz	MEKUZBWANXJQHN-UHFFFAOYSA-N	1	0	308.294	-0.045	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-]	ZINC001165438628	833246661	/nfs/dbraw/zinc/24/66/61/833246661.db2.gz	IXIUWBGZQXSALU-MRVPVSSYSA-N	1	0	316.701	-0.167	20	5		DBBDRO
O=[N+]([O-])c1c(N2CC[C@@H](CO)C2)ncnc1N1CC[NH2+]CC1	ZINC001166554081	833273739	/nfs/dbraw/zinc/27/37/39/833273739.db2.gz	YAPIGRZQUXAAFX-SNVBAGLBSA-N	1	0	308.342	-0.387	20	5		DBBDRO
CN(C)C(=O)CN(C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001166663046	833277149	/nfs/dbraw/zinc/27/71/49/833277149.db2.gz	LYNKFUXYQCXMLY-UHFFFAOYSA-N	1	0	323.357	-0.681	20	5		DBBDRO
O=C1OC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CCN12	ZINC001166928471	833285680	/nfs/dbraw/zinc/28/56/80/833285680.db2.gz	YGAAAJZMVFSZIA-SECBINFHSA-N	1	0	320.309	-0.288	20	5		DBBDRO
COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nnc(CC[NH3+])n1	ZINC001167791026	833310386	/nfs/dbraw/zinc/31/03/86/833310386.db2.gz	PAGXLYIUCZELSO-UHFFFAOYSA-N	1	0	307.270	-0.438	20	5		DBBDRO
O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C[NH2+]C2	ZINC001168048620	833316656	/nfs/dbraw/zinc/31/66/56/833316656.db2.gz	GZKCFRNSKOVINP-IMJCEVDSSA-N	1	0	309.322	-0.288	20	5		DBBDRO
Cc1nn(C)c(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001115893671	828868453	/nfs/dbraw/zinc/86/84/53/828868453.db2.gz	LEDOVSQRBSKBIJ-UHFFFAOYSA-N	1	0	310.358	-0.386	20	5		DBBDRO
Cc1n[nH]c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001116065827	828875246	/nfs/dbraw/zinc/87/52/46/828875246.db2.gz	YLVJMHGXTBYPEE-SECBINFHSA-N	1	0	310.358	-0.008	20	5		DBBDRO
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)C1	ZINC001168987807	833332037	/nfs/dbraw/zinc/33/20/37/833332037.db2.gz	KHUYIDWCDXXKRW-VXGBXAGGSA-N	1	0	305.400	-0.248	20	5		DBBDRO
COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168972570	833332112	/nfs/dbraw/zinc/33/21/12/833332112.db2.gz	NKYIJDAWJZCWJG-DCAQKATOSA-N	1	0	315.374	-0.174	20	5		DBBDRO
[NH3+][C@@H](CO)Cc1cncn1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-]	ZINC001169067102	833333552	/nfs/dbraw/zinc/33/35/52/833333552.db2.gz	OUMUBFYYLIUBBO-SSDOTTSWSA-N	1	0	313.701	-0.071	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cc(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001169072502	833333886	/nfs/dbraw/zinc/33/38/86/833333886.db2.gz	UFLPQWXJOWYVQM-MRVPVSSYSA-N	1	0	321.293	-0.176	20	5		DBBDRO
COc1ccc(C[C@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O)c([N+](=O)[O-])c1	ZINC001170329222	833351077	/nfs/dbraw/zinc/35/10/77/833351077.db2.gz	XTKBDCHRJHNIMI-KWQFWETISA-N	1	0	324.337	-0.147	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@@H]2C[NH2+]C[C@@H]2CO)ncnc1N1CCOCC1	ZINC001170780208	833360013	/nfs/dbraw/zinc/36/00/13/833360013.db2.gz	SQYPRIUABKBTNP-NXEZZACHSA-N	1	0	324.341	-0.786	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)([NH3+])CC2)n1	ZINC001118864058	829142134	/nfs/dbraw/zinc/14/21/34/829142134.db2.gz	BLYABFFTJCPMAF-UHFFFAOYSA-N	1	0	303.344	-0.170	20	5		DBBDRO
C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+]	ZINC001118866170	829142689	/nfs/dbraw/zinc/14/26/89/829142689.db2.gz	WTQOHTKHJSGBSN-YUMQZZPRSA-N	1	0	303.344	-0.314	20	5		DBBDRO
COC(=O)[C@H]1C[C@H](O)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC001171741945	833373986	/nfs/dbraw/zinc/37/39/86/833373986.db2.gz	SYUAKSOUUXNDIA-QWRGUYRKSA-N	1	0	312.326	-0.044	20	5		DBBDRO
C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)CCOCCO	ZINC001175822786	833397271	/nfs/dbraw/zinc/39/72/71/833397271.db2.gz	QUKRPTDXNRAHIK-UHFFFAOYSA-N	1	0	301.299	-0.142	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	ZINC001176534459	833407981	/nfs/dbraw/zinc/40/79/81/833407981.db2.gz	VKQJIJSYVHODMW-WCQYABFASA-N	1	0	323.353	-0.151	20	5		DBBDRO
NC(=O)NCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001123257037	829649206	/nfs/dbraw/zinc/64/92/06/829649206.db2.gz	FRFZMADYVDIKCI-UHFFFAOYSA-N	1	0	301.328	-0.470	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1ccco1	ZINC001126936978	829971141	/nfs/dbraw/zinc/97/11/41/829971141.db2.gz	ZNZCJLXTDULCEZ-GHMZBOCLSA-N	1	0	310.310	-0.733	20	5		DBBDRO
O=C(Cn1ncnn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001127433537	830009076	/nfs/dbraw/zinc/00/90/76/830009076.db2.gz	QGHROSJPQSINGB-UHFFFAOYSA-N	1	0	311.327	-0.451	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C1(C[NH+](C)C)CC1	ZINC001132993445	830727635	/nfs/dbraw/zinc/72/76/35/830727635.db2.gz	URSOJSADHOCKHC-UHFFFAOYSA-N	1	0	324.385	-0.124	20	5		DBBDRO
C[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCN1CCO	ZINC001138607063	831176998	/nfs/dbraw/zinc/17/69/98/831176998.db2.gz	IRQPIPPBUHRMCZ-VIFPVBQESA-N	1	0	309.326	-0.289	20	5		DBBDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1	ZINC001144612178	831257657	/nfs/dbraw/zinc/25/76/57/831257657.db2.gz	AAIRVSSTPLIPJP-SNVBAGLBSA-N	1	0	322.369	-0.062	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C12CC[NH+](CC1)C2	ZINC001147971252	831420730	/nfs/dbraw/zinc/42/07/30/831420730.db2.gz	XYFPSOSLILTJRU-UHFFFAOYSA-N	1	0	322.369	-0.370	20	5		DBBDRO
NC(=O)NCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001150415116	831614903	/nfs/dbraw/zinc/61/49/03/831614903.db2.gz	UMVIXHILONZYRP-UHFFFAOYSA-N	1	0	309.326	-0.141	20	5		DBBDRO
NC(=O)NCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001154457811	831880357	/nfs/dbraw/zinc/88/03/57/831880357.db2.gz	OORZSPFMOCGZQM-UHFFFAOYSA-N	1	0	309.326	-0.141	20	5		DBBDRO
NC(=O)C1(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001155086368	831915542	/nfs/dbraw/zinc/91/55/42/831915542.db2.gz	MXJQNJQXLBGRJL-UHFFFAOYSA-N	1	0	307.314	-0.776	20	5		DBBDRO
COC(=O)[C@@H]([NH3+])C1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1	ZINC001155154618	831920028	/nfs/dbraw/zinc/92/00/28/831920028.db2.gz	QRIAVJLYBDTXIP-LBPRGKRZSA-N	1	0	310.310	-0.055	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)N1	ZINC001155579253	831940651	/nfs/dbraw/zinc/94/06/51/831940651.db2.gz	DTVQPFMBDINCJF-ZANVPECISA-N	1	0	319.325	-0.938	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1	ZINC001155582143	831941630	/nfs/dbraw/zinc/94/16/30/831941630.db2.gz	ZCEPYBPIZLLESZ-TVQRCGJNSA-N	1	0	321.293	-0.234	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCCC1	ZINC001157549155	832052480	/nfs/dbraw/zinc/05/24/80/832052480.db2.gz	NDXBIZKQSOKNET-JTQLQIEISA-N	1	0	311.342	-0.095	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ncc[nH]1	ZINC001157629159	832055240	/nfs/dbraw/zinc/05/52/40/832055240.db2.gz	WLFGZMRKXORGID-UHFFFAOYSA-N	1	0	307.314	-0.039	20	5		DBBDRO
CCCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767812	832061755	/nfs/dbraw/zinc/06/17/55/832061755.db2.gz	VRPPXUMZJBYMDD-GHMZBOCLSA-N	1	0	310.358	-0.051	20	5		DBBDRO
CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775312	832063508	/nfs/dbraw/zinc/06/35/08/832063508.db2.gz	OPUKYVANYBNOCB-NXEZZACHSA-N	1	0	307.372	-0.818	20	5		DBBDRO
COc1cc2ncnc(-n3nnnc3C[NH3+])c2cc1[N+](=O)[O-]	ZINC001158074667	832087711	/nfs/dbraw/zinc/08/77/11/832087711.db2.gz	IJQUJGUWEJSHMT-UHFFFAOYSA-N	1	0	302.254	-0.019	20	5		DBBDRO
COc1nc(-n2nc(CC[NH3+])nc2C)nc(OC)c1[N+](=O)[O-]	ZINC001158128501	832092681	/nfs/dbraw/zinc/09/26/81/832092681.db2.gz	JRMRAGQOFFBRCJ-UHFFFAOYSA-N	1	0	309.286	-0.208	20	5		DBBDRO
COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001158640156	832127848	/nfs/dbraw/zinc/12/78/48/832127848.db2.gz	XFLHGJPLZGOVDK-BXUZGUMPSA-N	1	0	322.321	-0.040	20	5		DBBDRO
COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001158640158	832127936	/nfs/dbraw/zinc/12/79/36/832127936.db2.gz	XFLHGJPLZGOVDK-RISCZKNCSA-N	1	0	322.321	-0.040	20	5		DBBDRO
Cn1nccc1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001269411965	832429977	/nfs/dbraw/zinc/42/99/77/832429977.db2.gz	YZFRWYZXBKJQLB-VXGBXAGGSA-N	1	0	307.354	-0.134	20	5		DBBDRO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCN(CC[NH3+])N(O)N=O	ZINC001161091999	832975480	/nfs/dbraw/zinc/97/54/80/832975480.db2.gz	HFMVCVZSCOKVQJ-UHFFFAOYSA-N	1	0	315.290	-0.503	20	5		DBBDRO
C[NH+]1CCN(C2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC001256271295	834623796	/nfs/dbraw/zinc/62/37/96/834623796.db2.gz	VHCOJBCWMSNUNP-UHFFFAOYSA-N	1	0	322.369	-0.360	20	5		DBBDRO
COCC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1	ZINC001261252414	834773525	/nfs/dbraw/zinc/77/35/25/834773525.db2.gz	JXTPFVYHKHEYJH-LBPRGKRZSA-N	1	0	314.342	-0.063	20	5		DBBDRO
O=C1C[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC001261437290	834784363	/nfs/dbraw/zinc/78/43/63/834784363.db2.gz	ZFXSKSWKNCETOB-ZWNOBZJWSA-N	1	0	323.353	-0.247	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCS(=O)(=O)C2CC2)c1	ZINC001261437602	834784501	/nfs/dbraw/zinc/78/45/01/834784501.db2.gz	GRPVDGHVFBQNRJ-SNVBAGLBSA-N	1	0	318.355	-0.681	20	5		DBBDRO
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F	ZINC001261495164	834794801	/nfs/dbraw/zinc/79/48/01/834794801.db2.gz	ULHRLYZSAZIWPE-SNVBAGLBSA-N	1	0	316.264	-0.130	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3cncn3C2)c1	ZINC001262558978	834960539	/nfs/dbraw/zinc/96/05/39/834960539.db2.gz	VLSRSFMDKRWUCT-MFKMUULPSA-N	1	0	306.326	-0.047	20	5		DBBDRO
CN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1	ZINC001200462389	835130794	/nfs/dbraw/zinc/13/07/94/835130794.db2.gz	ZEBCJENIFVAZBS-CHWSQXEVSA-N	1	0	324.381	-0.147	20	5		DBBDRO
CC(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001200461955	835131037	/nfs/dbraw/zinc/13/10/37/835131037.db2.gz	NSCYJSUNRGCKLA-VXGBXAGGSA-N	1	0	312.370	-0.243	20	5		DBBDRO
CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001266696225	835362987	/nfs/dbraw/zinc/36/29/87/835362987.db2.gz	AKRAOCLNSUTSSF-NXEZZACHSA-N	1	0	322.325	-0.872	20	5		DBBDRO
CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(N)=O	ZINC001268785068	835806439	/nfs/dbraw/zinc/80/64/39/835806439.db2.gz	PPJOWUAJCZUTFK-UHFFFAOYSA-N	1	0	312.330	-0.858	20	5		DBBDRO
C[NH+]1CCN(C2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC001326788083	979768262	/nfs/dbraw/zinc/76/82/62/979768262.db2.gz	UOUKSFIZUDZOAL-UHFFFAOYSA-N	1	0	308.342	-0.751	20	5		DBBDRO
[NH3+]CCCOCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC001331739682	979896565	/nfs/dbraw/zinc/89/65/65/979896565.db2.gz	UDNSPYBBXXVSTR-UHFFFAOYSA-N	1	0	324.337	-0.307	20	5		DBBDRO
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[N@H+](C)C(C)C	ZINC001356050741	980922415	/nfs/dbraw/zinc/92/24/15/980922415.db2.gz	LEHHBUPLEPERJN-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001356817625	980993878	/nfs/dbraw/zinc/99/38/78/980993878.db2.gz	RCCNWVMIBATGFQ-VXGBXAGGSA-N	1	0	312.370	-0.434	20	5		DBBDRO
CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001357216951	981040883	/nfs/dbraw/zinc/04/08/83/981040883.db2.gz	UMLOQBTWAYCHFC-VXGBXAGGSA-N	1	0	324.381	-0.336	20	5		DBBDRO
C[NH+](C)CC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001357809307	981093963	/nfs/dbraw/zinc/09/39/63/981093963.db2.gz	QPTVQIAXMAACAS-OPVGQWETSA-N	1	0	324.381	-0.218	20	5		DBBDRO
CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001358661141	981164717	/nfs/dbraw/zinc/16/47/17/981164717.db2.gz	FAQKPHKCFYTQEY-GHMZBOCLSA-N	1	0	312.370	-0.242	20	5		DBBDRO
C[NH+]1CCN(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1	ZINC001540508360	1015522923	/nfs/dbraw/zinc/52/29/23/1015522923.db2.gz	WBEGPZDGLRHZBS-UHFFFAOYSA-N	1	0	323.353	-0.880	20	5		DBBDRO
C[NH+](C)CCN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1	ZINC001540468811	1015524057	/nfs/dbraw/zinc/52/40/57/1015524057.db2.gz	YANGDXLPTBBZTP-UHFFFAOYSA-N	1	0	322.369	-0.109	20	5		DBBDRO
CNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1	ZINC001596929889	1017180224	/nfs/dbraw/zinc/18/02/24/1017180224.db2.gz	HMBRPJGDWMKKAK-UHFFFAOYSA-N	1	0	309.326	-0.183	20	5		DBBDRO
CNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001494195101	1016190348	/nfs/dbraw/zinc/19/03/48/1016190348.db2.gz	GAHFCSIUASUMBU-VXGBXAGGSA-N	1	0	312.370	-0.432	20	5		DBBDRO
NC(=O)[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(N)=O	ZINC001460427984	1009088788	/nfs/dbraw/zinc/08/87/88/1009088788.db2.gz	FSNSTAPNMVONDW-RYUDHWBXSA-N	1	0	306.322	-0.344	20	5		DBBDRO
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC001472259698	1009876957	/nfs/dbraw/zinc/87/69/57/1009876957.db2.gz	SUKOUAKDGAUYGL-WDEREUQCSA-N	1	0	309.326	-0.011	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001472624795	1009892235	/nfs/dbraw/zinc/89/22/35/1009892235.db2.gz	WXLWQMDGXOJZMP-QMMMGPOBSA-N	1	0	308.294	-0.102	20	5		DBBDRO
CCN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001480391544	1010623626	/nfs/dbraw/zinc/62/36/26/1010623626.db2.gz	PRPGZSRSFHCUBH-DIACKHNESA-N	1	0	324.381	-0.434	20	5		DBBDRO
CCN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1	ZINC001483732558	1012100773	/nfs/dbraw/zinc/10/07/73/1012100773.db2.gz	JQAMTGONGIHFNZ-VXGBXAGGSA-N	1	0	324.381	-0.099	20	5		DBBDRO
O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001597700521	1017203878	/nfs/dbraw/zinc/20/38/78/1017203878.db2.gz	KOUVWNDBAIKPSS-SECBINFHSA-N	1	0	308.294	-0.102	20	5		DBBDRO
CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1nc[nH]n1	ZINC001497467707	1017387234	/nfs/dbraw/zinc/38/72/34/1017387234.db2.gz	CNUYHPAOYQBSKF-UHFFFAOYSA-N	1	0	322.329	-0.302	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])n1	ZINC001578349812	1020217204	/nfs/dbraw/zinc/21/72/04/1020217204.db2.gz	AQVOIAGZPUOVFY-BDAKNGLRSA-N	1	0	317.371	-0.055	20	5		DBBDRO
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H](O)C[NH3+])cc1F	ZINC001579642701	1020527098	/nfs/dbraw/zinc/52/70/98/1020527098.db2.gz	RMNGEDAYWIVBBW-MRVPVSSYSA-N	1	0	321.330	-0.018	20	5		DBBDRO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1O	ZINC001579642506	1020528186	/nfs/dbraw/zinc/52/81/86/1020528186.db2.gz	IVUWDXOJQFOUDZ-GHMZBOCLSA-N	1	0	315.351	-0.096	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[NH2+]CC23CC3)n1	ZINC001579969820	1020606593	/nfs/dbraw/zinc/60/65/93/1020606593.db2.gz	NLABGKRIIVJOCS-QMMMGPOBSA-N	1	0	301.328	-0.641	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCO[C@]2(CC[NH2+]C2)C1	ZINC001580579163	1020756115	/nfs/dbraw/zinc/75/61/15/1020756115.db2.gz	ZVKFLDYYARPBLL-AWEZNQCLSA-N	1	0	322.321	-0.653	20	5		DBBDRO
O=C1CC2(C[NH2+]C2)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1	ZINC001580843417	1020803480	/nfs/dbraw/zinc/80/34/80/1020803480.db2.gz	DSGQKXPHKFUKOY-CYBMUJFWSA-N	1	0	320.349	-0.208	20	5		DBBDRO
Nc1nccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-]	ZINC001558548554	1023964632	/nfs/dbraw/zinc/96/46/32/1023964632.db2.gz	DAGCBTVWBDVYOT-MRVPVSSYSA-N	1	0	307.310	-0.225	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC001558702412	1023968428	/nfs/dbraw/zinc/96/84/28/1023968428.db2.gz	RHYZLSWQTPSBGM-GHMZBOCLSA-N	1	0	323.353	-0.001	20	5		DBBDRO
C[NH+]1CCC(NC(=O)Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001559418163	1023991784	/nfs/dbraw/zinc/99/17/84/1023991784.db2.gz	YHFKNUZQTWCOIZ-UHFFFAOYSA-N	1	0	312.286	-0.090	20	5		DBBDRO
O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]12	ZINC001560096946	1024003491	/nfs/dbraw/zinc/00/34/91/1024003491.db2.gz	LHVZCCHDSRIADI-DRZSPHRISA-N	1	0	323.353	-0.247	20	5		DBBDRO
Cc1n[nH]nc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001567541844	1024776561	/nfs/dbraw/zinc/77/65/61/1024776561.db2.gz	GCLJABVWNNPPED-UHFFFAOYSA-N	1	0	322.329	-0.383	20	5		DBBDRO
O=C(NCC1([NH2+]CCn2cncn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001568234707	1024881011	/nfs/dbraw/zinc/88/10/11/1024881011.db2.gz	ASBMAXSJCZAGFR-VXGBXAGGSA-N	1	0	322.369	-0.038	20	5		DBBDRO
CCn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001569400423	1025241924	/nfs/dbraw/zinc/24/19/24/1025241924.db2.gz	OSXDGJKGTRILGU-GHMZBOCLSA-N	1	0	308.342	-0.298	20	5		DBBDRO
CS(=O)(=O)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001571113532	1025842612	/nfs/dbraw/zinc/84/26/12/1025842612.db2.gz	GVEMJSDGNHTRLF-GWOFURMSSA-N	1	0	319.383	-0.819	20	5		DBBDRO
C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)NCC[NH+](C)C	ZINC000573695265	412503847	/nfs/dbraw/zinc/50/38/47/412503847.db2.gz	FFFXOVCTKHLEBC-MRVPVSSYSA-N	1	0	324.341	-0.632	20	5		DBBDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000449698505	529779184	/nfs/dbraw/zinc/77/91/84/529779184.db2.gz	NEEDJZPPHBTNLI-LLVKDONJSA-N	1	0	308.338	-0.007	20	5		DBBDRO
Nc1nccc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-]	ZINC000574652175	412522594	/nfs/dbraw/zinc/52/25/94/412522594.db2.gz	YKQMNSLCLYCJNE-AOOOYVTPSA-N	1	0	321.337	0.165	20	5		DBBDRO
O=C1CCCN1[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000340976720	138102986	/nfs/dbraw/zinc/10/29/86/138102986.db2.gz	RMNSOJRHTLOCJT-DGCLKSJQSA-N	1	0	323.353	-0.151	20	5		DBBDRO
COCCN(CC[NH+](C)C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000355216341	138139852	/nfs/dbraw/zinc/13/98/52/138139852.db2.gz	DWSGXKBRFPULKP-UHFFFAOYSA-N	1	0	300.319	-0.777	20	5		DBBDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000372333846	138166235	/nfs/dbraw/zinc/16/62/35/138166235.db2.gz	SENCPAGCNPNYRU-GFCCVEGCSA-N	1	0	308.342	-0.703	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)[C@H]2CCCO2)c1	ZINC000447922561	238344956	/nfs/dbraw/zinc/34/49/56/238344956.db2.gz	PNRHYPKJYJCTCL-IJLUTSLNSA-N	1	0	300.315	-0.718	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@H+]1CCO	ZINC000452392765	238399896	/nfs/dbraw/zinc/39/98/96/238399896.db2.gz	ROZBWNSHPMRXDV-LLVKDONJSA-N	1	0	311.342	-0.246	20	5		DBBDRO
C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000562992999	284019066	/nfs/dbraw/zinc/01/90/66/284019066.db2.gz	ZVXNGNYSORTJPO-WFFHOREQSA-N	1	0	323.353	-0.249	20	5		DBBDRO
C[C@H](C[NH3+])NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000565412873	284094612	/nfs/dbraw/zinc/09/46/12/284094612.db2.gz	VHWCEUJKYPRZAM-SECBINFHSA-N	1	0	310.310	-0.447	20	5		DBBDRO
C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C[NH+]1CCN(C)CC1	ZINC000565694351	284102337	/nfs/dbraw/zinc/10/23/37/284102337.db2.gz	WHOLETHMHMLABH-JTQLQIEISA-N	1	0	310.358	-0.069	20	5		DBBDRO
COc1nccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000577742391	374264449	/nfs/dbraw/zinc/26/44/49/374264449.db2.gz	ONRBSKMTDIAVOW-LLVKDONJSA-N	1	0	308.298	-0.259	20	5		DBBDRO
O=C([C@H]1C[NH2+]CCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000321438788	374271648	/nfs/dbraw/zinc/27/16/48/374271648.db2.gz	FRTACLIQUXOZBU-GFCCVEGCSA-N	1	0	321.337	-0.373	20	5		DBBDRO
C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C	ZINC000578670969	374449635	/nfs/dbraw/zinc/44/96/35/374449635.db2.gz	LZZZOXGNXLHBDT-SECBINFHSA-N	1	0	323.353	-0.027	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CCO)CC2)n1	ZINC000319339383	374572167	/nfs/dbraw/zinc/57/21/67/374572167.db2.gz	SVMSGEIEGAHXEZ-UHFFFAOYSA-N	1	0	310.310	-0.109	20	5		DBBDRO
[NH3+]CCOCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000317394687	374587615	/nfs/dbraw/zinc/58/76/15/374587615.db2.gz	ILLIYTNZUNOTNN-UHFFFAOYSA-N	1	0	309.326	-0.386	20	5		DBBDRO
O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000610506629	374689499	/nfs/dbraw/zinc/68/94/99/374689499.db2.gz	GHRVBLBFCPYASB-SCVCMEIPSA-N	1	0	309.326	-0.495	20	5		DBBDRO
Cc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-]	ZINC000588863593	374768682	/nfs/dbraw/zinc/76/86/82/374768682.db2.gz	RGBDITXRECXCIV-NXEZZACHSA-N	1	0	309.326	-0.093	20	5		DBBDRO
Cc1nn(C)c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-]	ZINC000588869257	374769062	/nfs/dbraw/zinc/76/90/62/374769062.db2.gz	JUZRZLTXNJROOF-JTQLQIEISA-N	1	0	311.342	-0.177	20	5		DBBDRO
[NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]12	ZINC000248563304	375141998	/nfs/dbraw/zinc/14/19/98/375141998.db2.gz	BFGIOIIQTKVWNI-ZMLRMANQSA-N	1	0	306.322	-0.048	20	5		DBBDRO
O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000590371028	375527765	/nfs/dbraw/zinc/52/77/65/375527765.db2.gz	DBCZOWHRTSBQAH-SECBINFHSA-N	1	0	310.310	-0.118	20	5		DBBDRO
C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)NCC[NH+](C)C	ZINC000566460949	375586887	/nfs/dbraw/zinc/58/68/87/375586887.db2.gz	DAMGLGVJUBFLAH-SECBINFHSA-N	1	0	311.342	-0.271	20	5		DBBDRO
C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O	ZINC000590586442	375663576	/nfs/dbraw/zinc/66/35/76/375663576.db2.gz	NQPVZMYBYUAODU-RYUDHWBXSA-N	1	0	315.351	-0.110	20	5		DBBDRO
C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCO1	ZINC000591756626	375744352	/nfs/dbraw/zinc/74/43/52/375744352.db2.gz	KOMDKGMCFILFFS-UHTWSYAYSA-N	1	0	313.358	-0.539	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOC[C@@H]2CCOC2)c1	ZINC000591734946	375744468	/nfs/dbraw/zinc/74/44/68/375744468.db2.gz	MLXTXGZJKSWPPO-DGCLKSJQSA-N	1	0	314.342	-0.205	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOC[C@H]2CCOC2)c1	ZINC000591734940	375744481	/nfs/dbraw/zinc/74/44/81/375744481.db2.gz	MLXTXGZJKSWPPO-AAEUAGOBSA-N	1	0	314.342	-0.205	20	5		DBBDRO
C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1	ZINC000592374707	375796732	/nfs/dbraw/zinc/79/67/32/375796732.db2.gz	OYCPAACSAWZFGI-IUCAKERBSA-N	1	0	316.339	-0.274	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000592392962	375799791	/nfs/dbraw/zinc/79/97/91/375799791.db2.gz	MNSYFLSAGDRJBQ-VIFPVBQESA-N	1	0	315.355	-0.828	20	5		DBBDRO
CN(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592432375	375800791	/nfs/dbraw/zinc/80/07/91/375800791.db2.gz	WAXMPZGTBKPPLM-AAEUAGOBSA-N	1	0	313.354	-0.153	20	5		DBBDRO
CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592432378	375801678	/nfs/dbraw/zinc/80/16/78/375801678.db2.gz	WAXMPZGTBKPPLM-WCQYABFASA-N	1	0	313.354	-0.153	20	5		DBBDRO
C[C@@](O)(CO)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592431084	375805594	/nfs/dbraw/zinc/80/55/94/375805594.db2.gz	ZJEXLCPYACQFIB-AAEUAGOBSA-N	1	0	300.311	-0.333	20	5		DBBDRO
C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000592869970	375828245	/nfs/dbraw/zinc/82/82/45/375828245.db2.gz	APQXPFICBBKKPV-QMMMGPOBSA-N	1	0	310.314	-0.490	20	5		DBBDRO
COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000593060937	375844038	/nfs/dbraw/zinc/84/40/38/375844038.db2.gz	KHNUKUTVJVVZMG-WCQGTBRESA-N	1	0	300.315	-0.766	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CCN2C1=O	ZINC000594878373	375966031	/nfs/dbraw/zinc/96/60/31/375966031.db2.gz	HAJVNBWQVNRPOE-WPRPVWTQSA-N	1	0	321.293	-0.921	20	5		DBBDRO
CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1	ZINC000595109550	375973112	/nfs/dbraw/zinc/97/31/12/375973112.db2.gz	WUMKHTAQLFMITC-JTQLQIEISA-N	1	0	315.355	-0.747	20	5		DBBDRO
[NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCO1	ZINC000595109759	375973473	/nfs/dbraw/zinc/97/34/73/375973473.db2.gz	NKKUTIMUACSIBZ-JTQLQIEISA-N	1	0	316.339	-0.272	20	5		DBBDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594230526	375915860	/nfs/dbraw/zinc/91/58/60/375915860.db2.gz	QCRKBVIOHWRVJI-CMPLNLGQSA-N	1	0	324.341	-0.748	20	5		DBBDRO
O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(O)C[NH2+]C1	ZINC000595950230	376049135	/nfs/dbraw/zinc/04/91/35/376049135.db2.gz	RLKAOYIZNSEIHR-SECBINFHSA-N	1	0	307.310	-0.663	20	5		DBBDRO
NC(=O)c1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-]	ZINC000596295499	376079331	/nfs/dbraw/zinc/07/93/31/376079331.db2.gz	OESMHBGXBXHLFX-LLVKDONJSA-N	1	0	306.322	-0.051	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2	ZINC000597627021	376155368	/nfs/dbraw/zinc/15/53/68/376155368.db2.gz	WVPIWLXPSAQBHW-JTQLQIEISA-N	1	0	308.342	-0.552	20	5		DBBDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000597655585	376160318	/nfs/dbraw/zinc/16/03/18/376160318.db2.gz	YSJCOVXDODFMFW-SECBINFHSA-N	1	0	311.294	-0.024	20	5		DBBDRO
C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000597693491	376163932	/nfs/dbraw/zinc/16/39/32/376163932.db2.gz	FDGYCKUGKFMAJJ-WDEREUQCSA-N	1	0	324.341	-0.492	20	5		DBBDRO
CCNC(=O)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000567688319	376227305	/nfs/dbraw/zinc/22/73/05/376227305.db2.gz	NNZXTMYODYYTOU-NSHDSACASA-N	1	0	313.358	-0.096	20	5		DBBDRO
[NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1	ZINC000598916451	376228939	/nfs/dbraw/zinc/22/89/39/376228939.db2.gz	YVIWQNFIGFLNHX-LLVKDONJSA-N	1	0	308.294	-0.281	20	5		DBBDRO
Nc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(N)[nH+]1	ZINC000599074887	376240913	/nfs/dbraw/zinc/24/09/13/376240913.db2.gz	VGPQQIHFCDSEHA-UHFFFAOYSA-N	1	0	305.302	-0.357	20	5		DBBDRO
Nc1nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(N)[nH+]1	ZINC000599089246	376241751	/nfs/dbraw/zinc/24/17/51/376241751.db2.gz	YLQLZYXPFJAEOO-UHFFFAOYSA-N	1	0	317.313	-0.673	20	5		DBBDRO
CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599100898	376243002	/nfs/dbraw/zinc/24/30/02/376243002.db2.gz	JJEYSZDWRANQPZ-VIFPVBQESA-N	1	0	317.371	-0.053	20	5		DBBDRO
C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599107163	376246709	/nfs/dbraw/zinc/24/67/09/376246709.db2.gz	KXJYPMXTDTZHOZ-HTQZYQBOSA-N	1	0	303.344	-0.395	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)n1	ZINC000599107821	376246740	/nfs/dbraw/zinc/24/67/40/376246740.db2.gz	VXQUBBSKEAVQFE-VIFPVBQESA-N	1	0	315.355	-0.109	20	5		DBBDRO
COC[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000567877328	376321604	/nfs/dbraw/zinc/32/16/04/376321604.db2.gz	MSHMCCSRQVUPDR-GHMZBOCLSA-N	1	0	300.311	-0.069	20	5		DBBDRO
CN(CCOCC[NH3+])C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000599900288	376343439	/nfs/dbraw/zinc/34/34/39/376343439.db2.gz	OMINMORSQYIDEG-UHFFFAOYSA-N	1	0	310.310	-0.033	20	5		DBBDRO
COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000573920724	377187533	/nfs/dbraw/zinc/18/75/33/377187533.db2.gz	WQHZEUVHDFFDQM-KOLCDFICSA-N	1	0	314.294	-0.542	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C	ZINC000356466105	378058957	/nfs/dbraw/zinc/05/89/57/378058957.db2.gz	LSOVZVSLPZSGRJ-JTQLQIEISA-N	1	0	310.358	-0.306	20	5		DBBDRO
COc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-]	ZINC000574585377	378177594	/nfs/dbraw/zinc/17/75/94/378177594.db2.gz	UVQVXGDTHOXUQH-JTQLQIEISA-N	1	0	322.321	-0.302	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1	ZINC000357510960	378320366	/nfs/dbraw/zinc/32/03/66/378320366.db2.gz	CYRCTDCDRNZHHE-UHFFFAOYSA-N	1	0	310.358	-0.304	20	5		DBBDRO
CO[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC000160318148	378447122	/nfs/dbraw/zinc/44/71/22/378447122.db2.gz	WYCOEPBKLCOVSL-NEPJUHHUSA-N	1	0	300.315	-0.453	20	5		DBBDRO
CCn1cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])n1	ZINC000353214677	378648090	/nfs/dbraw/zinc/64/80/90/378648090.db2.gz	GZCAMDRHCJXUCW-MRVPVSSYSA-N	1	0	303.344	-0.173	20	5		DBBDRO
NC(=O)[C@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1	ZINC000582428188	379652504	/nfs/dbraw/zinc/65/25/04/379652504.db2.gz	DANQAQSBEUYFTN-ZDUSSCGKSA-N	1	0	308.294	-0.233	20	5		DBBDRO
C[NH+]1CC2(C1)CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2	ZINC000619252014	379814064	/nfs/dbraw/zinc/81/40/64/379814064.db2.gz	YDQBSEPKUPKVFF-UHFFFAOYSA-N	1	0	306.322	-0.079	20	5		DBBDRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000619255423	379814257	/nfs/dbraw/zinc/81/42/57/379814257.db2.gz	YFXOJRPNSCFOTH-ZDUSSCGKSA-N	1	0	311.342	-0.294	20	5		DBBDRO
O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000580451567	380267729	/nfs/dbraw/zinc/26/77/29/380267729.db2.gz	IJLGZUUJPQEBPC-NSHDSACASA-N	1	0	318.333	-0.042	20	5		DBBDRO
O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000169190314	380371909	/nfs/dbraw/zinc/37/19/09/380371909.db2.gz	FHIPJRSCIQJZPD-DLOVCJGASA-N	1	0	321.337	-0.275	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000548941796	381017742	/nfs/dbraw/zinc/01/77/42/381017742.db2.gz	IULPEKCTTVXZHB-VIFPVBQESA-N	1	0	310.314	-0.613	20	5		DBBDRO
C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)C1	ZINC000251844311	381008406	/nfs/dbraw/zinc/00/84/06/381008406.db2.gz	ONVVINZQOWZAPJ-MNOVXSKESA-N	1	0	311.342	-0.295	20	5		DBBDRO
CN1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O	ZINC000581288869	382140596	/nfs/dbraw/zinc/14/05/96/382140596.db2.gz	PDDYCUIKHDDHBC-JQWIXIFHSA-N	1	0	311.342	-0.295	20	5		DBBDRO
NS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000107571223	382392292	/nfs/dbraw/zinc/39/22/92/382392292.db2.gz	VICJHBHZHJAUTG-DTORHVGOSA-N	1	0	312.351	-0.102	20	5		DBBDRO
[NH3+]CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000419817252	382503780	/nfs/dbraw/zinc/50/37/80/382503780.db2.gz	LRNZSXJJJHGYMF-UHFFFAOYSA-N	1	0	321.337	-0.682	20	5		DBBDRO
[NH3+]CCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000419831716	382503789	/nfs/dbraw/zinc/50/37/89/382503789.db2.gz	IDIVAGHOSBRHPD-UHFFFAOYSA-N	1	0	306.322	-0.056	20	5		DBBDRO
C[C@@H](C[NH3+])NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000420032025	382504776	/nfs/dbraw/zinc/50/47/76/382504776.db2.gz	SVEIHOUOVUMDID-VIFPVBQESA-N	1	0	306.322	-0.057	20	5		DBBDRO
Nc1c(C(=O)NCCN2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-]	ZINC000125760976	382605953	/nfs/dbraw/zinc/60/59/53/382605953.db2.gz	MIUKSENQLWEFDX-UHFFFAOYSA-N	1	0	311.317	-0.049	20	5		DBBDRO
COC[C@](C)(CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000132556294	382640224	/nfs/dbraw/zinc/64/02/24/382640224.db2.gz	IOUKHTYLLLRPDW-RYUDHWBXSA-N	1	0	302.331	-0.471	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000356166072	382644179	/nfs/dbraw/zinc/64/41/79/382644179.db2.gz	KGDWYOIKEROTQE-UHFFFAOYSA-N	1	0	324.341	-0.826	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH+](C)CC1	ZINC000356484963	382644886	/nfs/dbraw/zinc/64/48/86/382644886.db2.gz	UBWSWAVNYVCDNB-UHFFFAOYSA-N	1	0	310.358	-0.304	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1	ZINC000358056229	382645939	/nfs/dbraw/zinc/64/59/39/382645939.db2.gz	ZWYDDDJNDFEYQH-CYBMUJFWSA-N	1	0	311.342	-0.291	20	5		DBBDRO
CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1cc([N+](=O)[O-])cn1	ZINC000600536627	382635930	/nfs/dbraw/zinc/63/59/30/382635930.db2.gz	UJPLIIYVKOBMDT-LLVKDONJSA-N	1	0	311.342	-0.291	20	5		DBBDRO
Cn1cc(CN(CCO)CCN2CCOCC2)c([N+](=O)[O-])n1	ZINC000602447417	382638947	/nfs/dbraw/zinc/63/89/47/382638947.db2.gz	FXEASKZDQYECQJ-UHFFFAOYSA-N	1	0	313.358	-0.545	20	5		DBBDRO
Cn1cc([C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2[NH3+])cn1	ZINC000424287416	392141871	/nfs/dbraw/zinc/14/18/71/392141871.db2.gz	HNNHUGCXTLVCER-QWHCGFSZSA-N	1	0	305.342	-0.049	20	5		DBBDRO
O=C(NCC(=O)N1CC[NH2+]CC1)NCc1ccc([N+](=O)[O-])cc1	ZINC000428489357	392148168	/nfs/dbraw/zinc/14/81/68/392148168.db2.gz	JRRAAASQJPREIE-UHFFFAOYSA-N	1	0	321.337	-0.174	20	5		DBBDRO
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1	ZINC000428171469	392148515	/nfs/dbraw/zinc/14/85/15/392148515.db2.gz	SOBPEDXOKALHBT-NSHDSACASA-N	1	0	321.337	-0.128	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1	ZINC000351882736	392156509	/nfs/dbraw/zinc/15/65/09/392156509.db2.gz	MVSUHQAAZRDBGV-UHFFFAOYSA-N	1	0	324.385	-0.076	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000363651784	392579149	/nfs/dbraw/zinc/57/91/49/392579149.db2.gz	OPWJTURDFNHJQV-GRYCIOLGSA-N	1	0	310.354	-0.408	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-]	ZINC000352824310	393408692	/nfs/dbraw/zinc/40/86/92/393408692.db2.gz	MMQAFUHVBSYSBK-UHFFFAOYSA-N	1	0	324.385	-0.044	20	5		DBBDRO
O=C1NC(=O)[C@@]2(CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)N1	ZINC000192642116	393651139	/nfs/dbraw/zinc/65/11/39/393651139.db2.gz	QXDIBUGLXGCUAI-LBPRGKRZSA-N	1	0	308.298	-0.535	20	5		DBBDRO
O=C1NC(=O)[C@]2(CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)N1	ZINC000192642103	393651458	/nfs/dbraw/zinc/65/14/58/393651458.db2.gz	QXDIBUGLXGCUAI-GFCCVEGCSA-N	1	0	308.298	-0.535	20	5		DBBDRO
C[NH+]1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1	ZINC000347905653	412306493	/nfs/dbraw/zinc/30/64/93/412306493.db2.gz	SMJVEDJHOASLDX-UHFFFAOYSA-N	1	0	305.342	0.297	20	5		DBBDRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C	ZINC000361086945	418942415	/nfs/dbraw/zinc/94/24/15/418942415.db2.gz	PZHZMGISLNANKB-LLVKDONJSA-N	1	0	324.337	-0.120	20	5		DBBDRO
[NH3+]CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000428455279	265976481	/nfs/dbraw/zinc/97/64/81/265976481.db2.gz	FEQVIDYKUSEPHE-UHFFFAOYSA-N	1	0	309.326	-0.141	20	5		DBBDRO
[NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000428998140	265982960	/nfs/dbraw/zinc/98/29/60/265982960.db2.gz	UJZOFUMBHFHEQR-SNVBAGLBSA-N	1	0	324.341	-0.895	20	5		DBBDRO
O=C1OCCN1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000496229158	266229423	/nfs/dbraw/zinc/22/94/23/266229423.db2.gz	QOYPANHRKHNZRK-NSHDSACASA-N	1	0	313.314	-0.416	20	5		DBBDRO
C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000514789069	266265109	/nfs/dbraw/zinc/26/51/09/266265109.db2.gz	UPRDMVONQSLEFM-DGCLKSJQSA-N	1	0	313.358	-0.538	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CCN2C1=O	ZINC000515870684	266276524	/nfs/dbraw/zinc/27/65/24/266276524.db2.gz	VSTAYBUXPBSTII-IUCAKERBSA-N	1	0	320.309	-0.813	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1	ZINC000524496778	266342017	/nfs/dbraw/zinc/34/20/17/266342017.db2.gz	XTWREZREGAMYDZ-UHFFFAOYSA-N	1	0	323.353	-0.221	20	5		DBBDRO
O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1	ZINC000570562651	332773529	/nfs/dbraw/zinc/77/35/29/332773529.db2.gz	LWXMZOPMHVBTBO-UHFFFAOYSA-N	1	0	318.333	-0.089	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000570919970	332842107	/nfs/dbraw/zinc/84/21/07/332842107.db2.gz	VPVUGQHKMWAGBF-UHFFFAOYSA-N	1	0	307.310	-0.540	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1	ZINC000584183661	331859422	/nfs/dbraw/zinc/85/94/22/331859422.db2.gz	QMIBIWUAMURSFG-SCZZXKLOSA-N	1	0	307.310	-0.683	20	5		DBBDRO
C[C@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000185135331	333204441	/nfs/dbraw/zinc/20/44/41/333204441.db2.gz	UFBMEBKNWVUPSP-CYKBGDKZSA-N	1	0	304.372	-0.149	20	5		DBBDRO
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000566496288	341559983	/nfs/dbraw/zinc/55/99/83/341559983.db2.gz	QPWRSRFBJDBMEF-PSASIEDQSA-N	1	0	319.321	-0.439	20	5		DBBDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O	ZINC000574771466	341768523	/nfs/dbraw/zinc/76/85/23/341768523.db2.gz	XFFBNLZHTFPNAK-RYUDHWBXSA-N	1	0	304.306	-0.021	20	5		DBBDRO
CC[NH+]1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000264849929	521681792	/nfs/dbraw/zinc/68/17/92/521681792.db2.gz	BVUUXAIGAMHWNT-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
C[NH2+]CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262635300	521961858	/nfs/dbraw/zinc/96/18/58/521961858.db2.gz	YVPYGPHOKYXWTR-UHFFFAOYSA-N	1	0	316.339	-0.791	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1	ZINC000359300862	523446457	/nfs/dbraw/zinc/44/64/57/523446457.db2.gz	HLQHAUSZHLUCFH-DTORHVGOSA-N	1	0	315.355	-0.349	20	5		DBBDRO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1	ZINC000347161275	524791840	/nfs/dbraw/zinc/79/18/40/524791840.db2.gz	NYBDBKMDHXUTOB-JTQLQIEISA-N	1	0	311.342	-0.143	20	5		DBBDRO
O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000364499529	526560141	/nfs/dbraw/zinc/56/01/41/526560141.db2.gz	FHIPJRSCIQJZPD-MVWJERBFSA-N	1	0	321.337	-0.275	20	5		DBBDRO
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC1C[NH2+]C1	ZINC000262018439	526709731	/nfs/dbraw/zinc/70/97/31/526709731.db2.gz	LUDRHDPHMOIEMX-UHFFFAOYSA-N	1	0	320.305	-0.344	20	5		DBBDRO
NC(=O)C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1	ZINC000123005977	526851810	/nfs/dbraw/zinc/85/18/10/526851810.db2.gz	RGHKWDSKXCVGQY-LLVKDONJSA-N	1	0	311.342	-0.070	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000158710588	527371222	/nfs/dbraw/zinc/37/12/22/527371222.db2.gz	FPEUCVKNMYDNOV-AWEZNQCLSA-N	1	0	306.322	-0.032	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@H]2CCO)c1	ZINC000347384676	527415727	/nfs/dbraw/zinc/41/57/27/527415727.db2.gz	WZDNTFSNOBYLHR-PWSUYJOCSA-N	1	0	316.383	-0.048	20	5		DBBDRO
O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000266504129	527491240	/nfs/dbraw/zinc/49/12/40/527491240.db2.gz	BDGXTFKNSZRKNM-OLZOCXBDSA-N	1	0	323.353	-0.105	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1	ZINC000273906053	536074332	/nfs/dbraw/zinc/07/43/32/536074332.db2.gz	IGYJZGFSGPQDCV-UHFFFAOYSA-N	1	0	308.342	-0.015	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCNC1=O	ZINC000369827988	536420672	/nfs/dbraw/zinc/42/06/72/536420672.db2.gz	CEGXIKGZWDONPT-NEPJUHHUSA-N	1	0	311.342	-0.247	20	5		DBBDRO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1-c1nn[nH]n1	ZINC000826498561	607449430	/nfs/dbraw/zinc/44/94/30/607449430.db2.gz	ANYCNOHAGPHJDX-UHFFFAOYSA-N	1	0	319.325	-0.111	20	5		DBBDRO
COc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001022063519	664204767	/nfs/dbraw/zinc/20/47/67/664204767.db2.gz	CXAJHRDCYPJPBR-RBLKWDMZSA-N	1	0	321.337	-0.113	20	5		DBBDRO
COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001022063886	664204875	/nfs/dbraw/zinc/20/48/75/664204875.db2.gz	NVBKAIMJPLAADE-WRWGMCAJSA-N	1	0	321.337	-0.113	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001022352127	664266662	/nfs/dbraw/zinc/26/66/62/664266662.db2.gz	KOAYJWIDXSYFRN-OCAPTIKFSA-N	1	0	320.313	-0.503	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCN1CC[NH2+]CC1	ZINC000911773092	674747211	/nfs/dbraw/zinc/74/72/11/674747211.db2.gz	ALGARHMHBSHFAN-UHFFFAOYSA-N	1	0	310.358	-0.537	20	5		DBBDRO
CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(=O)N1CC[NH2+]CC1	ZINC000262416912	671450625	/nfs/dbraw/zinc/45/06/25/671450625.db2.gz	DRPFSFPHOLDRCE-UHFFFAOYSA-N	1	0	310.358	-0.012	20	5		DBBDRO
O=C(NCC1C[NH+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001031660789	677493709	/nfs/dbraw/zinc/49/37/09/677493709.db2.gz	RYIABXJWTSABNU-CHWSQXEVSA-N	1	0	324.381	-0.288	20	5		DBBDRO
CC1CC[NH+](CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000998354776	678590717	/nfs/dbraw/zinc/59/07/17/678590717.db2.gz	LZWAIHZCWSTYFC-CHWSQXEVSA-N	1	0	324.381	-0.290	20	5		DBBDRO
CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000843108635	805607788	/nfs/dbraw/zinc/60/77/88/805607788.db2.gz	AOXVTPMKYBFQTM-KOLCDFICSA-N	1	0	313.310	-0.969	20	5		DBBDRO
Cc1nn(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-]	ZINC000844720998	805668476	/nfs/dbraw/zinc/66/84/76/805668476.db2.gz	NXNKLUANRFLNQS-UHFFFAOYSA-N	1	0	310.358	-0.237	20	5		DBBDRO
O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848306797	805834550	/nfs/dbraw/zinc/83/45/50/805834550.db2.gz	JWFCRADHKJIYHT-BFHYXJOUSA-N	1	0	321.333	-0.094	20	5		DBBDRO
COCC[N@H+](C)C[C@H](O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000848674113	805845850	/nfs/dbraw/zinc/84/58/50/805845850.db2.gz	LHKRGSZNAZLWKC-QMMMGPOBSA-N	1	0	303.275	-0.361	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001304083161	805919708	/nfs/dbraw/zinc/91/97/08/805919708.db2.gz	BRIGJJASKXWCQR-JTQLQIEISA-N	1	0	322.321	-0.654	20	5		DBBDRO
O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CC1	ZINC001316616907	805968663	/nfs/dbraw/zinc/96/86/63/805968663.db2.gz	WBLMHGKWXNHRAH-SASUGWTJSA-N	1	0	310.354	-0.585	20	5		DBBDRO
O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(O)C[NH2+]C1	ZINC000852803232	805976350	/nfs/dbraw/zinc/97/63/50/805976350.db2.gz	WLURSOQMIOEHAY-UHFFFAOYSA-N	1	0	306.322	-0.422	20	5		DBBDRO
CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000861342896	806266009	/nfs/dbraw/zinc/26/60/09/806266009.db2.gz	DXOXGYQZHWXEOG-BXKDBHETSA-N	1	0	313.314	-0.161	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC001318701345	806322845	/nfs/dbraw/zinc/32/28/45/806322845.db2.gz	ISOMDRYBMDLCCK-NSHDSACASA-N	1	0	324.341	-0.633	20	5		DBBDRO
CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000863586463	806366238	/nfs/dbraw/zinc/36/62/38/806366238.db2.gz	ATXDBDIWCLGCDL-WCBMZHEXSA-N	1	0	301.303	-0.850	20	5		DBBDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001319873827	806414567	/nfs/dbraw/zinc/41/45/67/806414567.db2.gz	SXBYMSHUMQRLDH-JTQLQIEISA-N	1	0	310.358	-0.306	20	5		DBBDRO
CC(C)N(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001322506089	806747605	/nfs/dbraw/zinc/74/76/05/806747605.db2.gz	VQIDCCYVSRSSFS-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
CCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075644200	803789840	/nfs/dbraw/zinc/78/98/40/803789840.db2.gz	VXZMMHKVSDYUSD-GFCCVEGCSA-N	1	0	313.358	-0.048	20	5		DBBDRO
[NH3+]CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000139983809	803818828	/nfs/dbraw/zinc/81/88/28/803818828.db2.gz	NLQOAPCROLTKML-UHFFFAOYSA-N	1	0	314.367	-0.140	20	5		DBBDRO
CN(C)C(=O)CC[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000760416496	804224663	/nfs/dbraw/zinc/22/46/63/804224663.db2.gz	ZIMMOMJWEXKFKY-UHFFFAOYSA-N	1	0	310.358	-0.155	20	5		DBBDRO
C[NH+](C)CCCCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284899980	804791375	/nfs/dbraw/zinc/79/13/75/804791375.db2.gz	GQOZUKXSBIMKIA-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
CC(C)[N@@H+]1CCO[C@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000802140243	804842566	/nfs/dbraw/zinc/84/25/66/804842566.db2.gz	MHUFJKFHWAPHBM-JTQLQIEISA-N	1	0	313.314	-0.161	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH+](C)CC2)n1	ZINC001324636376	806993795	/nfs/dbraw/zinc/99/37/95/806993795.db2.gz	PRJMCERLEGTAJC-UHFFFAOYSA-N	1	0	310.358	-0.304	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1	ZINC001326520125	807189489	/nfs/dbraw/zinc/18/94/89/807189489.db2.gz	VPZCPMJTEQEIBU-RTXFEEFZSA-N	1	0	314.342	-0.471	20	5		DBBDRO
Cc1nn(C)c(C(=O)NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001327059334	807238376	/nfs/dbraw/zinc/23/83/76/807238376.db2.gz	JUKYTHAYAFRKDD-UHFFFAOYSA-N	1	0	310.358	-0.338	20	5		DBBDRO
O=C1CC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1	ZINC001328428830	807426013	/nfs/dbraw/zinc/42/60/13/807426013.db2.gz	IRODIZBCTCNNLG-KGYLQXTDSA-N	1	0	323.353	-0.247	20	5		DBBDRO
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC001328509038	807435645	/nfs/dbraw/zinc/43/56/45/807435645.db2.gz	KADIBSWOMZCSMK-SNVBAGLBSA-N	1	0	309.326	-0.011	20	5		DBBDRO
C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC001329191701	807536396	/nfs/dbraw/zinc/53/63/96/807536396.db2.gz	OLPWILPJJNIODK-YUMQZZPRSA-N	1	0	303.344	-0.314	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH2+]C[C@@H]2C(F)F)c1	ZINC000923352723	807661555	/nfs/dbraw/zinc/66/15/55/807661555.db2.gz	QPMLISFFMAMVOG-NXEZZACHSA-N	1	0	305.285	-0.309	20	5		DBBDRO
C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000923352428	807661666	/nfs/dbraw/zinc/66/16/66/807661666.db2.gz	REBZONWZCMBKAO-JBLDHEPKSA-N	1	0	301.322	-0.216	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC001334781480	808200676	/nfs/dbraw/zinc/20/06/76/808200676.db2.gz	AMTHVAIFRJCYDO-NSHDSACASA-N	1	0	323.353	-0.001	20	5		DBBDRO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001335215878	808255514	/nfs/dbraw/zinc/25/55/14/808255514.db2.gz	GGJFYGBZHKWKCG-JTQLQIEISA-N	1	0	324.337	-0.105	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[NH+]2CCC1CC2	ZINC001337424717	808453680	/nfs/dbraw/zinc/45/36/80/808453680.db2.gz	NHGITDZUVYSPKA-GFCCVEGCSA-N	1	0	306.322	-0.033	20	5		DBBDRO
C[N@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@H]2C1	ZINC001339410475	808589875	/nfs/dbraw/zinc/58/98/75/808589875.db2.gz	MTHLSPZKKCFUCO-PHIMTYICSA-N	1	0	306.322	-0.224	20	5		DBBDRO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C23CC[NH+](CC2)C3)C1	ZINC000954239564	809199333	/nfs/dbraw/zinc/19/93/33/809199333.db2.gz	CCJUNSHMTTUUKS-VXGBXAGGSA-N	1	0	322.365	-0.583	20	5		DBBDRO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCn2cncn2)CC1	ZINC001005383032	812064630	/nfs/dbraw/zinc/06/46/30/812064630.db2.gz	TUVBCNMSPDFWBK-CHWSQXEVSA-N	1	0	322.369	-0.134	20	5		DBBDRO
O=C(N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001020139471	814311837	/nfs/dbraw/zinc/31/18/37/814311837.db2.gz	AAOZNUQXAGHKPT-DDHJBXDOSA-N	1	0	310.354	-0.489	20	5		DBBDRO
CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCn2cncn2)CC1	ZINC001045437407	816632968	/nfs/dbraw/zinc/63/29/68/816632968.db2.gz	PHUMLSNHEFNVLA-VXGBXAGGSA-N	1	0	322.369	-0.086	20	5		DBBDRO
Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086082936	825175254	/nfs/dbraw/zinc/17/52/54/825175254.db2.gz	INSRGXIVSSUBEF-LMLFDSFASA-N	1	0	308.342	-0.535	20	5		DBBDRO
O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001086363373	825243547	/nfs/dbraw/zinc/24/35/47/825243547.db2.gz	QKDVSHSYVFIBPN-FDYHWXHSSA-N	1	0	324.381	-0.242	20	5		DBBDRO
Cn1cc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1	ZINC001274014584	833006219	/nfs/dbraw/zinc/00/62/19/833006219.db2.gz	AIUHUALSBHADLV-LLGAQUFESA-N	1	0	307.354	-0.110	20	5		DBBDRO
Nc1nc(NCCNC(=O)C23CC[NH+](CC2)C3)ncc1[N+](=O)[O-]	ZINC001093769167	826167032	/nfs/dbraw/zinc/16/70/32/826167032.db2.gz	XFKLNXBMSOEHDK-UHFFFAOYSA-N	1	0	321.341	-0.409	20	5		DBBDRO
CS(=O)(=O)N(CC[NH3+])c1cc([N+](=O)[O-])c2nncn2c1	ZINC001162130601	833076567	/nfs/dbraw/zinc/07/65/67/833076567.db2.gz	CFJIAOHNOVDQEU-UHFFFAOYSA-N	1	0	300.300	-0.638	20	5		DBBDRO
CS(=O)(=O)N(CC[NH3+])c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-]	ZINC001162124713	833075544	/nfs/dbraw/zinc/07/55/44/833075544.db2.gz	OZUXVDNLVAQAEO-UHFFFAOYSA-N	1	0	310.719	-0.394	20	5		DBBDRO
CS(=O)(=O)CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001162320988	833088783	/nfs/dbraw/zinc/08/87/83/833088783.db2.gz	ZQPXHGQXQOCOMD-UHFFFAOYSA-N	1	0	301.328	-0.472	20	5		DBBDRO
CN1CCO[C@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1	ZINC001162684156	833116423	/nfs/dbraw/zinc/11/64/23/833116423.db2.gz	RWAUDMWDYNILMZ-SNVBAGLBSA-N	1	0	308.342	-0.186	20	5		DBBDRO
[NH3+][C@H]1COC[C@H]1Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001162919738	833123715	/nfs/dbraw/zinc/12/37/15/833123715.db2.gz	AWKMZDHEZIGJRJ-DTWKUNHWSA-N	1	0	310.314	-0.641	20	5		DBBDRO
NC(=O)c1nc(N[C@@H]2COCCC23C[NH2+]C3)ccc1[N+](=O)[O-]	ZINC001163064811	833130097	/nfs/dbraw/zinc/13/00/97/833130097.db2.gz	IDTCWRGDNUAKRA-SECBINFHSA-N	1	0	307.310	-0.121	20	5		DBBDRO
NC(=O)c1ccnc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001163074928	833130999	/nfs/dbraw/zinc/13/09/99/833130999.db2.gz	XBJUFDYIWBQVJT-VIFPVBQESA-N	1	0	307.310	-0.121	20	5		DBBDRO
NC(=O)c1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1[N+](=O)[O-]	ZINC001163094877	833133516	/nfs/dbraw/zinc/13/35/16/833133516.db2.gz	VDSMFEKEXMKQGI-NQMVMOMDSA-N	1	0	307.310	-0.265	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2	ZINC001163238000	833140368	/nfs/dbraw/zinc/14/03/68/833140368.db2.gz	KQFUXHSTXOYUFZ-UFBFGSQYSA-N	1	0	306.282	-0.921	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1	ZINC001163238895	833140453	/nfs/dbraw/zinc/14/04/53/833140453.db2.gz	PLPUKXMFDVDCNH-RNCFNFMXSA-N	1	0	321.293	-0.234	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])N1	ZINC001163241039	833141200	/nfs/dbraw/zinc/14/12/00/833141200.db2.gz	YNHIWKGMFZLCCK-LDYMZIIASA-N	1	0	313.701	-0.128	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])ncc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2	ZINC001163255257	833143403	/nfs/dbraw/zinc/14/34/03/833143403.db2.gz	UUFOBGAVTPJQAS-RNCFNFMXSA-N	1	0	321.293	-0.234	20	5		DBBDRO
O=[N+]([O-])c1cnc(N2CCN(C3COC3)CC2)nc1C1C[NH2+]C1	ZINC001163754337	833166965	/nfs/dbraw/zinc/16/69/65/833166965.db2.gz	TWFLOXOKSSEMPT-UHFFFAOYSA-N	1	0	320.353	-0.408	20	5		DBBDRO
CCNC(=O)CN(C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001163909823	833176045	/nfs/dbraw/zinc/17/60/45/833176045.db2.gz	PAHQWRCMXLWJIQ-UHFFFAOYSA-N	1	0	323.357	-0.633	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])ncc1N(C)S(=O)(=O)CC[NH3+]	ZINC001164300159	833203327	/nfs/dbraw/zinc/20/33/27/833203327.db2.gz	JGZZXPWGUWWYQW-UHFFFAOYSA-N	1	0	318.311	-0.499	20	5		DBBDRO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC(=O)NC2(CC[NH2+]CC2)C1	ZINC001165256195	833233413	/nfs/dbraw/zinc/23/34/13/833233413.db2.gz	PDYVDEQUYHZOLS-UHFFFAOYSA-N	1	0	321.337	-0.405	20	5		DBBDRO
O=C1NCCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C12C[NH2+]C2	ZINC001165298709	833238933	/nfs/dbraw/zinc/23/89/33/833238933.db2.gz	STEBGSYNKCDPDG-UHFFFAOYSA-N	1	0	308.254	-0.824	20	5		DBBDRO
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(OC)nc(C)c1[N+](=O)[O-]	ZINC001166963855	833287534	/nfs/dbraw/zinc/28/75/34/833287534.db2.gz	RPJANSQETQKVFQ-SFYZADRCSA-N	1	0	311.298	-0.219	20	5		DBBDRO
Cc1ncc(C[NH3+])c(=N)n1-c1ccc([N+](=O)[O-])c(C(N)=O)n1	ZINC001167671440	833306104	/nfs/dbraw/zinc/30/61/04/833306104.db2.gz	DXMKGGPWIQEIJJ-UHFFFAOYSA-N	1	0	303.282	-0.479	20	5		DBBDRO
C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CC[NH+](C)CC1	ZINC001116432498	828894025	/nfs/dbraw/zinc/89/40/25/828894025.db2.gz	GZIHNFUYTPPHHF-JTQLQIEISA-N	1	0	310.358	-0.306	20	5		DBBDRO
C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CC[NH+](C)CC1	ZINC001116433358	828894715	/nfs/dbraw/zinc/89/47/15/828894715.db2.gz	VNCFYSJZEAGYGS-SNVBAGLBSA-N	1	0	310.358	-0.306	20	5		DBBDRO
Cn1cc([C@H](CO)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1	ZINC001116670622	828906825	/nfs/dbraw/zinc/90/68/25/828906825.db2.gz	RZEGMWKDVKTSFZ-LBPRGKRZSA-N	1	0	307.310	-0.187	20	5		DBBDRO
COc1ccc(C[C@@H](C)[NH2+]C(CO)(CO)CO)c([N+](=O)[O-])c1	ZINC001170311095	833350582	/nfs/dbraw/zinc/35/05/82/833350582.db2.gz	ZIBLAHSFNMGMGZ-SNVBAGLBSA-N	1	0	314.338	-0.160	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCn3cncc3C2)n1	ZINC001118815733	829135711	/nfs/dbraw/zinc/13/57/11/829135711.db2.gz	LGPWSXUBBDKJJB-UHFFFAOYSA-N	1	0	312.311	-0.271	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)[C@H]2CCCO2)c1	ZINC001118960478	829198039	/nfs/dbraw/zinc/19/80/39/829198039.db2.gz	XPTZNGUXARRXEO-GRYCIOLGSA-N	1	0	300.315	-0.718	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C	ZINC001119455277	829262745	/nfs/dbraw/zinc/26/27/45/829262745.db2.gz	USPLRIPFYVZCOV-CMPLNLGQSA-N	1	0	324.385	-0.150	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001121935577	829531458	/nfs/dbraw/zinc/53/14/58/829531458.db2.gz	ACWKSFFCIFMCDX-LBPRGKRZSA-N	1	0	322.369	-0.394	20	5		DBBDRO
C[C@@](Cn1cccn1)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(N)=O	ZINC001176860650	833427034	/nfs/dbraw/zinc/42/70/34/833427034.db2.gz	OCRYBANFNCKONC-LBPRGKRZSA-N	1	0	307.314	-0.478	20	5		DBBDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(C1CC1)C1CC1	ZINC001126936796	829971416	/nfs/dbraw/zinc/97/14/16/829971416.db2.gz	ROHGNBWEIQTOPB-VXGBXAGGSA-N	1	0	324.381	-0.338	20	5		DBBDRO
CC1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001126943981	829971726	/nfs/dbraw/zinc/97/17/26/829971726.db2.gz	YTMXKFOCTXIGKL-VXGBXAGGSA-N	1	0	312.370	-0.384	20	5		DBBDRO
CNC(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001128790498	830131101	/nfs/dbraw/zinc/13/11/01/830131101.db2.gz	VOWHYCZEWKLDJU-UHFFFAOYSA-N	1	0	309.326	-0.270	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CCC[NH+](C)C	ZINC001133040098	830736178	/nfs/dbraw/zinc/73/61/78/830736178.db2.gz	AULNEJPCNVJTNE-UHFFFAOYSA-N	1	0	312.374	-0.124	20	5		DBBDRO
O=C(CCn1cnnn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC001135677329	831105203	/nfs/dbraw/zinc/10/52/03/831105203.db2.gz	COSFDJIKAJLEGK-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1	ZINC001138061775	831173523	/nfs/dbraw/zinc/17/35/23/831173523.db2.gz	UGUIENIEELHHAM-SNVBAGLBSA-N	1	0	303.706	-0.232	20	5		DBBDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC001146376786	831277704	/nfs/dbraw/zinc/27/77/04/831277704.db2.gz	MLYGGBAHXBVSGX-KBPBESRZSA-N	1	0	322.365	-0.010	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCOCCO)C2	ZINC001147506267	831377728	/nfs/dbraw/zinc/37/77/28/831377728.db2.gz	FFYHQDMDXNRDSA-VXGBXAGGSA-N	1	0	313.354	-0.805	20	5		DBBDRO
C[NH+](C)CCN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)CC1=O	ZINC001155038627	831913310	/nfs/dbraw/zinc/91/33/10/831913310.db2.gz	ZVSJBQATRRAQPY-MRVPVSSYSA-N	1	0	310.314	-0.334	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC([NH2+]C2CCOCC2)C1	ZINC001155331792	831929242	/nfs/dbraw/zinc/92/92/42/831929242.db2.gz	OFUVMQRPCSJYGR-UHFFFAOYSA-N	1	0	309.326	-0.229	20	5		DBBDRO
COc1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc(OC)c1[N+](=O)[O-]	ZINC001155541499	831937686	/nfs/dbraw/zinc/93/76/86/831937686.db2.gz	HTRXUEYMLLTYEZ-JMCQJSRRSA-N	1	0	311.298	-0.055	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1cc[nH]n1	ZINC001156081128	831968068	/nfs/dbraw/zinc/96/80/68/831968068.db2.gz	CAGYSYPIYNCFPN-UHFFFAOYSA-N	1	0	321.341	-0.110	20	5		DBBDRO
CN1CC[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1=O	ZINC001156502961	831986689	/nfs/dbraw/zinc/98/66/89/831986689.db2.gz	QGIZUDXHRWPFIX-VIFPVBQESA-N	1	0	321.341	-0.563	20	5		DBBDRO
Cn1cnc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1	ZINC001156557530	831989855	/nfs/dbraw/zinc/98/98/55/831989855.db2.gz	HBEZHAXWDUFDBS-UHFFFAOYSA-N	1	0	321.341	-0.029	20	5		DBBDRO
Cn1cc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nn1	ZINC001157454032	832044284	/nfs/dbraw/zinc/04/42/84/832044284.db2.gz	HBGRQKFVBDMRAP-UHFFFAOYSA-N	1	0	322.329	-0.634	20	5		DBBDRO
Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001157767129	832061834	/nfs/dbraw/zinc/06/18/34/832061834.db2.gz	IAZDSNDJZGPHSO-VXGBXAGGSA-N	1	0	310.358	-0.344	20	5		DBBDRO
CC(C)(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767822	832061950	/nfs/dbraw/zinc/06/19/50/832061950.db2.gz	WASSOHNBTGHZIA-GHMZBOCLSA-N	1	0	314.386	-0.090	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH3+])C3(COC3)C2)n1	ZINC001158770160	832134984	/nfs/dbraw/zinc/13/49/84/832134984.db2.gz	ZICZJNQHXZDVDA-SNVBAGLBSA-N	1	0	308.294	-0.060	20	5		DBBDRO
CN(CC1CC1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001269411755	832430368	/nfs/dbraw/zinc/43/03/68/832430368.db2.gz	RVOANEKBXKMGLS-VXGBXAGGSA-N	1	0	324.381	-0.242	20	5		DBBDRO
COc1nc(NCCN(CC[NH3+])N(O)N=O)ncc1[N+](=O)[O-]	ZINC001161088220	832974374	/nfs/dbraw/zinc/97/43/74/832974374.db2.gz	WRSHAVXTNKTIIP-UHFFFAOYSA-N	1	0	316.278	-0.646	20	5		DBBDRO
Cc1nc(NCCN(CC[NH3+])N(O)N=O)ncc1[N+](=O)[O-]	ZINC001161096021	832977493	/nfs/dbraw/zinc/97/74/93/832977493.db2.gz	UWYMRVVAXVMQPC-UHFFFAOYSA-N	1	0	300.279	-0.347	20	5		DBBDRO
Cc1nonc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001177443685	833469016	/nfs/dbraw/zinc/46/90/16/833469016.db2.gz	MYGBJHVJVQZDED-UHFFFAOYSA-N	1	0	323.313	-0.071	20	5		DBBDRO
CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+](C)CC1	ZINC001187724023	833944108	/nfs/dbraw/zinc/94/41/08/833944108.db2.gz	AGMWTPCKVJGIOR-UHFFFAOYSA-N	1	0	322.369	-0.228	20	5		DBBDRO
NC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(N)=O	ZINC001196091748	834757123	/nfs/dbraw/zinc/75/71/23/834757123.db2.gz	BKGFRFSWYBIJED-AOOOYVTPSA-N	1	0	310.285	-0.248	20	5		DBBDRO
C[C@@H]([NH3+])CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC001261378097	834780474	/nfs/dbraw/zinc/78/04/74/834780474.db2.gz	OMGZDNMLSLGFBE-SECBINFHSA-N	1	0	310.310	-0.447	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1	ZINC001261483347	834793163	/nfs/dbraw/zinc/79/31/63/834793163.db2.gz	QKLZNBYHLWLDAJ-NTZNESFSSA-N	1	0	314.342	-0.613	20	5		DBBDRO
O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1	ZINC001198147726	834930445	/nfs/dbraw/zinc/93/04/45/834930445.db2.gz	RCPZKZPEBIUNNV-NSHDSACASA-N	1	0	309.326	-0.324	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCn2cncn2)CC1	ZINC001205230024	835337806	/nfs/dbraw/zinc/33/78/06/835337806.db2.gz	LUZATBBYWRIJFT-CHWSQXEVSA-N	1	0	322.369	-0.229	20	5		DBBDRO
CC[NH+](CC)CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001528184468	1014371087	/nfs/dbraw/zinc/37/10/87/1014371087.db2.gz	ARCRFHXMNOSQGN-GHMZBOCLSA-N	1	0	300.359	-0.432	20	5		DBBDRO
CC[NH+]1CCN(C2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1	ZINC001529092626	1014516730	/nfs/dbraw/zinc/51/67/30/1014516730.db2.gz	DHRVDXBMRAEGFI-UHFFFAOYSA-N	1	0	308.342	-0.220	20	5		DBBDRO
CCOC(=O)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n(C)n1	ZINC001226562330	979635449	/nfs/dbraw/zinc/63/54/49/979635449.db2.gz	ATCFRFCCKUDZCK-SNVBAGLBSA-N	1	0	314.362	-0.041	20	5		DBBDRO
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1C[NH2+]C1	ZINC001345168761	980035403	/nfs/dbraw/zinc/03/54/03/980035403.db2.gz	KEGULUCCJGBPBO-UHFFFAOYSA-N	1	0	312.713	-0.048	20	5		DBBDRO
C[NH2+]C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC001348110671	980260435	/nfs/dbraw/zinc/26/04/35/980260435.db2.gz	LDFOMOFICFXTAR-MRVPVSSYSA-N	1	0	303.344	-0.442	20	5		DBBDRO
Cn1cc(C[C@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001349324221	980455737	/nfs/dbraw/zinc/45/57/37/980455737.db2.gz	CTIXSWOCIRUSCO-YPMHNXCESA-N	1	0	324.341	-0.921	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCNc2ncccn2)c1	ZINC001353241498	980792504	/nfs/dbraw/zinc/79/25/04/980792504.db2.gz	RWAQZXALAXRUDG-LLVKDONJSA-N	1	0	307.314	-0.356	20	5		DBBDRO
CN1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC001356533627	980955261	/nfs/dbraw/zinc/95/52/61/980955261.db2.gz	RWQSOWBCWPANHR-JQWIXIFHSA-N	1	0	311.342	-0.390	20	5		DBBDRO
Cn1cncc1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001356822707	980996276	/nfs/dbraw/zinc/99/62/76/980996276.db2.gz	BVJMNSPBAXKYKB-VXGBXAGGSA-N	1	0	321.337	-0.798	20	5		DBBDRO
C[NH+](C)C[C@](C)(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001546040275	1015555032	/nfs/dbraw/zinc/55/50/32/1015555032.db2.gz	BHSUIYMFAGYBBV-CYBMUJFWSA-N	1	0	312.326	-0.815	20	5		DBBDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001546040276	1015555740	/nfs/dbraw/zinc/55/57/40/1015555740.db2.gz	BHSUIYMFAGYBBV-ZDUSSCGKSA-N	1	0	312.326	-0.815	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+](CCCO)C1	ZINC001556662689	1015929685	/nfs/dbraw/zinc/92/96/85/1015929685.db2.gz	KVZAWIGIMLYKTH-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cnnn1C	ZINC001493535393	1015976776	/nfs/dbraw/zinc/97/67/76/1015976776.db2.gz	VOHOEGUYAZXJOZ-UHFFFAOYSA-N	1	0	322.329	-0.681	20	5		DBBDRO
[NH3+]C1(CO)CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1	ZINC001592742291	1016786316	/nfs/dbraw/zinc/78/63/16/1016786316.db2.gz	ZETXXJUSMKTQBY-UHFFFAOYSA-N	1	0	320.313	-0.540	20	5		DBBDRO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c(-c2nn[nH]n2)c1	ZINC001593479428	1016896300	/nfs/dbraw/zinc/89/63/00/1016896300.db2.gz	YBDHISWQRPORQB-UHFFFAOYSA-N	1	0	319.325	-0.111	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC001470287378	1009729050	/nfs/dbraw/zinc/72/90/50/1009729050.db2.gz	XFCNJSMOTMOBIJ-LLVKDONJSA-N	1	0	324.341	-0.756	20	5		DBBDRO
C[NH+](C)CC1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001470691253	1009778999	/nfs/dbraw/zinc/77/89/99/1009778999.db2.gz	BGDXSSILJOZBFN-UHFFFAOYSA-N	1	0	311.342	-0.294	20	5		DBBDRO
CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001481229527	1010866543	/nfs/dbraw/zinc/86/65/43/1010866543.db2.gz	RDAADEPQIZJNEX-VXGBXAGGSA-N	1	0	312.370	-0.288	20	5		DBBDRO
CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001499221934	1018035242	/nfs/dbraw/zinc/03/52/42/1018035242.db2.gz	WKTBKHRFBZZXEZ-NXEZZACHSA-N	1	0	319.383	-0.675	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001612978895	1019772596	/nfs/dbraw/zinc/77/25/96/1019772596.db2.gz	CRUDJBAYGGRDPL-MRVPVSSYSA-N	1	0	307.310	-0.344	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC001617646543	1019786026	/nfs/dbraw/zinc/78/60/26/1019786026.db2.gz	TZFZHUURTHYPMO-ZDUSSCGKSA-N	1	0	322.325	-0.226	20	5		DBBDRO
CN(C(=O)CN1C[C@@H](O)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1	ZINC001618438610	1019794733	/nfs/dbraw/zinc/79/47/33/1019794733.db2.gz	MKMDGEWWNNKAHJ-GXFFZTMASA-N	1	0	309.322	-0.157	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC001578538112	1020264112	/nfs/dbraw/zinc/26/41/12/1020264112.db2.gz	HGDLQWQUUGTMJU-ZFWWWQNUSA-N	1	0	322.365	-0.178	20	5		DBBDRO
COc1cccc(C(=O)N2CC(=O)NCC23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001579259831	1020399721	/nfs/dbraw/zinc/39/97/21/1020399721.db2.gz	BMYLCQASKOUXPT-UHFFFAOYSA-N	1	0	320.305	-0.483	20	5		DBBDRO
C[N@@H+]1CC[C@@](O)(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1	ZINC001579349727	1020428087	/nfs/dbraw/zinc/42/80/87/1020428087.db2.gz	SAXZPYYNBCASFY-GFCCVEGCSA-N	1	0	320.313	-0.352	20	5		DBBDRO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1O	ZINC001579642509	1020528806	/nfs/dbraw/zinc/52/88/06/1020528806.db2.gz	IVUWDXOJQFOUDZ-WDEREUQCSA-N	1	0	315.351	-0.096	20	5		DBBDRO
O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(C2C[NH2+]C2)CC1	ZINC001580474869	1020729157	/nfs/dbraw/zinc/72/91/57/1020729157.db2.gz	BQZBOHFFLIZOEU-AWEZNQCLSA-N	1	0	320.349	-0.256	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCO[C@@]2(CC[NH2+]C2)C1	ZINC001580579164	1020755677	/nfs/dbraw/zinc/75/56/77/1020755677.db2.gz	ZVKFLDYYARPBLL-CQSZACIVSA-N	1	0	322.321	-0.653	20	5		DBBDRO
CCN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001581088599	1020823270	/nfs/dbraw/zinc/82/32/70/1020823270.db2.gz	MYUGBTFJPHIBPM-VXGBXAGGSA-N	1	0	312.370	-0.288	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+]([C@@H]2CCOC2)CC1	ZINC001585143802	1021047852	/nfs/dbraw/zinc/04/78/52/1021047852.db2.gz	WCGVTPPPOYBBAC-LLVKDONJSA-N	1	0	324.341	-0.444	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+]([C@H]2CCOC2)CC1	ZINC001585143803	1021048421	/nfs/dbraw/zinc/04/84/21/1021048421.db2.gz	WCGVTPPPOYBBAC-NSHDSACASA-N	1	0	324.341	-0.444	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC([NH2+]C2CCOCC2)C1	ZINC001558385474	1023958468	/nfs/dbraw/zinc/95/84/68/1023958468.db2.gz	UFTRKBQWHIZEHS-UHFFFAOYSA-N	1	0	310.314	-0.834	20	5		DBBDRO
C[C@@H]1CN(CCO)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001559211046	1023983567	/nfs/dbraw/zinc/98/35/67/1023983567.db2.gz	FWSFCKJCJCEXCI-SECBINFHSA-N	1	0	309.326	-0.409	20	5		DBBDRO
CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001566971808	1024446649	/nfs/dbraw/zinc/44/66/49/1024446649.db2.gz	JXJBFNVUKOSABJ-HMUNZLOLSA-N	1	0	310.354	-0.824	20	5		DBBDRO
CN1CC[NH2+]C[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000449695145	529779790	/nfs/dbraw/zinc/77/97/90/529779790.db2.gz	HWBTTZIXOKYNSL-LBPRGKRZSA-N	1	0	308.338	-0.007	20	5		DBBDRO
O=C1CCCN1[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000340976724	138103379	/nfs/dbraw/zinc/10/33/79/138103379.db2.gz	RMNSOJRHTLOCJT-YPMHNXCESA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000375796878	138184160	/nfs/dbraw/zinc/18/41/60/138184160.db2.gz	UGRKQLPBGZGCKI-OLZOCXBDSA-N	1	0	323.353	-0.151	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)[C@@H]2CCCO2)c1	ZINC000447922562	238344261	/nfs/dbraw/zinc/34/42/61/238344261.db2.gz	PNRHYPKJYJCTCL-UTUOFQBUSA-N	1	0	300.315	-0.718	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])n1	ZINC000447253982	238326981	/nfs/dbraw/zinc/32/69/81/238326981.db2.gz	DLGGCXNTURJIFD-YUMQZZPRSA-N	1	0	303.344	-0.221	20	5		DBBDRO
C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000562992996	284018989	/nfs/dbraw/zinc/01/89/89/284018989.db2.gz	ZVXNGNYSORTJPO-AAXDQBDMSA-N	1	0	323.353	-0.249	20	5		DBBDRO
C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000563144128	284026288	/nfs/dbraw/zinc/02/62/88/284026288.db2.gz	PHZHGRMUKLYGOC-IUCAKERBSA-N	1	0	312.330	-0.851	20	5		DBBDRO
CC(C)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000564565723	284062133	/nfs/dbraw/zinc/06/21/33/284062133.db2.gz	WNJGLWRHUQOOKM-NEPJUHHUSA-N	1	0	311.342	-0.249	20	5		DBBDRO
Nc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000564739580	284066280	/nfs/dbraw/zinc/06/62/80/284066280.db2.gz	JZRBUTYMAIOCMR-PSASIEDQSA-N	1	0	319.321	-0.439	20	5		DBBDRO
C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000564974773	284075286	/nfs/dbraw/zinc/07/52/86/284075286.db2.gz	HYCGKCTXLDXLSM-IRUJWGPZSA-N	1	0	300.311	-0.334	20	5		DBBDRO
O=C(COc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1	ZINC000565593860	284099860	/nfs/dbraw/zinc/09/98/60/284099860.db2.gz	ZZLBWSRHSADRSK-UHFFFAOYSA-N	1	0	322.321	-0.478	20	5		DBBDRO
C[NH2+]CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1	ZINC000578053831	374293314	/nfs/dbraw/zinc/29/33/14/374293314.db2.gz	IGTXYOVQQKCZJD-UHFFFAOYSA-N	1	0	310.310	-0.575	20	5		DBBDRO
CO[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C[NH3+])C1	ZINC000359226623	374359901	/nfs/dbraw/zinc/35/99/01/374359901.db2.gz	MUPISJQUFODXEG-NEPJUHHUSA-N	1	0	324.337	-0.279	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])n1	ZINC000359300874	374361355	/nfs/dbraw/zinc/36/13/55/374361355.db2.gz	HLQHAUSZHLUCFH-RKDXNWHRSA-N	1	0	315.355	-0.349	20	5		DBBDRO
C[N@@H+]1CC[C@](O)(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000358700987	374347938	/nfs/dbraw/zinc/34/79/38/374347938.db2.gz	GWWNJNTWUUENMO-LBPRGKRZSA-N	1	0	312.330	-0.843	20	5		DBBDRO
C[C@](O)(CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000578867847	374467884	/nfs/dbraw/zinc/46/78/84/374467884.db2.gz	FYOKHJXNWXFKNU-GFCCVEGCSA-N	1	0	318.351	-0.299	20	5		DBBDRO
COCC1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH2+]CC1	ZINC000261826559	374597257	/nfs/dbraw/zinc/59/72/57/374597257.db2.gz	YOAYTVPJNGRJOK-UHFFFAOYSA-N	1	0	311.342	-0.076	20	5		DBBDRO
C[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000261936613	374602948	/nfs/dbraw/zinc/60/29/48/374602948.db2.gz	ZPDUSAUSCAJXPE-MRVPVSSYSA-N	1	0	316.339	-0.664	20	5		DBBDRO
Cn1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000579853096	374613297	/nfs/dbraw/zinc/61/32/97/374613297.db2.gz	CCDGCGQTSAWZCW-BDAKNGLRSA-N	1	0	307.310	-0.683	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1	ZINC000584183660	374645235	/nfs/dbraw/zinc/64/52/35/374645235.db2.gz	QMIBIWUAMURSFG-PSASIEDQSA-N	1	0	307.310	-0.683	20	5		DBBDRO
C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000361585612	374778045	/nfs/dbraw/zinc/77/80/45/374778045.db2.gz	QFTBJJXGKDYKMH-WCFLWFBJSA-N	1	0	314.342	-0.376	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000262371489	374839684	/nfs/dbraw/zinc/83/96/84/374839684.db2.gz	LURKMLKFUJPARO-LLVKDONJSA-N	1	0	308.342	-0.703	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000363195368	375043258	/nfs/dbraw/zinc/04/32/58/375043258.db2.gz	BQYYQWNCIHTYAW-CMPLNLGQSA-N	1	0	309.326	-0.229	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000290184065	375399990	/nfs/dbraw/zinc/39/99/90/375399990.db2.gz	PVSGAJCSXFOUDT-MNOVXSKESA-N	1	0	306.322	-0.176	20	5		DBBDRO
NC(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000566489872	375593664	/nfs/dbraw/zinc/59/36/64/375593664.db2.gz	CQLKZTWZRJAOCZ-VHSXEESVSA-N	1	0	319.321	-0.558	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOC[C@@H]2CCOC2)c1	ZINC000591734949	375743846	/nfs/dbraw/zinc/74/38/46/375743846.db2.gz	MLXTXGZJKSWPPO-YPMHNXCESA-N	1	0	314.342	-0.205	20	5		DBBDRO
Cn1nnnc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000591757661	375743953	/nfs/dbraw/zinc/74/39/53/375743953.db2.gz	WGXYQRNOMXIRLE-JTQLQIEISA-N	1	0	322.325	-0.310	20	5		DBBDRO
C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1	ZINC000592374708	375796988	/nfs/dbraw/zinc/79/69/88/375796988.db2.gz	OYCPAACSAWZFGI-RKDXNWHRSA-N	1	0	316.339	-0.274	20	5		DBBDRO
C[C@@H]([NH3+])CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000592383486	375797191	/nfs/dbraw/zinc/79/71/91/375797191.db2.gz	XSZCIOTXLTVZAW-SSDOTTSWSA-N	1	0	317.323	-0.009	20	5		DBBDRO
C[C@](O)(CO)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000592431085	375806023	/nfs/dbraw/zinc/80/60/23/375806023.db2.gz	ZJEXLCPYACQFIB-DGCLKSJQSA-N	1	0	300.311	-0.333	20	5		DBBDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000592476994	375807549	/nfs/dbraw/zinc/80/75/49/375807549.db2.gz	LUENHPLPQHSEHF-ONGXEEELSA-N	1	0	310.310	-0.669	20	5		DBBDRO
Cc1c(C(=O)NC[C@@H](C)[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000592546933	375810877	/nfs/dbraw/zinc/81/08/77/375810877.db2.gz	MCSZHCCBUGDYCY-ZCFIWIBFSA-N	1	0	316.339	-0.372	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-]	ZINC000592547887	375811000	/nfs/dbraw/zinc/81/10/00/375811000.db2.gz	BCYOSDMMNIBGFK-QMMMGPOBSA-N	1	0	311.298	-0.397	20	5		DBBDRO
O=C([C@@H]1C[NH2+]CCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000592277203	375790128	/nfs/dbraw/zinc/79/01/28/375790128.db2.gz	MPRQLXCPCAXGEM-NSHDSACASA-N	1	0	309.326	-0.057	20	5		DBBDRO
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000592878536	375826075	/nfs/dbraw/zinc/82/60/75/375826075.db2.gz	FKGWPUGYASPXCS-SNVBAGLBSA-N	1	0	324.341	-0.630	20	5		DBBDRO
C[NH+](C)CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1=O	ZINC000593049565	375841204	/nfs/dbraw/zinc/84/12/04/375841204.db2.gz	BBPUHNMHLCBDSP-UHFFFAOYSA-N	1	0	310.358	-0.503	20	5		DBBDRO
COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000593060936	375843788	/nfs/dbraw/zinc/84/37/88/375843788.db2.gz	KHNUKUTVJVVZMG-MVWJERBFSA-N	1	0	300.315	-0.766	20	5		DBBDRO
Nc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(CO)c1[N+](=O)[O-]	ZINC000593505967	375866816	/nfs/dbraw/zinc/86/68/16/375866816.db2.gz	ZCYZLTYVEHXUJE-GFCCVEGCSA-N	1	0	308.338	-0.076	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594603746	375938362	/nfs/dbraw/zinc/93/83/62/375938362.db2.gz	MVRFIXRBTPOSMG-VHSXEESVSA-N	1	0	307.310	-0.656	20	5		DBBDRO
CNS(=O)(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000598614079	376214763	/nfs/dbraw/zinc/21/47/63/376214763.db2.gz	NTUBVDQFGACISE-UHFFFAOYSA-N	1	0	317.371	-0.023	20	5		DBBDRO
Nc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(N)[nH+]1	ZINC000599026776	376236667	/nfs/dbraw/zinc/23/66/67/376236667.db2.gz	ZEGYLZQFMPLSSK-UHFFFAOYSA-N	1	0	316.325	-0.068	20	5		DBBDRO
Nc1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N)[nH+]1	ZINC000599060193	376239883	/nfs/dbraw/zinc/23/98/83/376239883.db2.gz	UZLPBDNZABZIQV-SSDOTTSWSA-N	1	0	317.313	-0.309	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)n1	ZINC000599098172	376243207	/nfs/dbraw/zinc/24/32/07/376243207.db2.gz	PXINYCUTAWODEU-QMMMGPOBSA-N	1	0	303.344	-0.251	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)n1	ZINC000599099281	376243250	/nfs/dbraw/zinc/24/32/50/376243250.db2.gz	CMOOKXKNRAAHMZ-BDAKNGLRSA-N	1	0	315.355	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)n1	ZINC000599103413	376244420	/nfs/dbraw/zinc/24/44/20/376244420.db2.gz	WNKVDMNBKHHBDP-UHFFFAOYSA-N	1	0	301.328	-0.641	20	5		DBBDRO
[NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOCC1	ZINC000599103244	376244473	/nfs/dbraw/zinc/24/44/73/376244473.db2.gz	QWEJVQXIQVADIH-UHFFFAOYSA-N	1	0	316.339	-0.224	20	5		DBBDRO
C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599107176	376246369	/nfs/dbraw/zinc/24/63/69/376246369.db2.gz	KXJYPMXTDTZHOZ-JGVFFNPUSA-N	1	0	303.344	-0.395	20	5		DBBDRO
C[NH2+][C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC000599107607	376246698	/nfs/dbraw/zinc/24/66/98/376246698.db2.gz	MIKUPROKANUVIZ-QMMMGPOBSA-N	1	0	303.344	-0.299	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)n1	ZINC000599291461	376276848	/nfs/dbraw/zinc/27/68/48/376276848.db2.gz	NCAGKFZQRTUFEJ-DTORHVGOSA-N	1	0	315.355	-0.490	20	5		DBBDRO
Cc1c(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-]	ZINC000599899500	376343543	/nfs/dbraw/zinc/34/35/43/376343543.db2.gz	LSMHBGFWLPENAQ-SNVBAGLBSA-N	1	0	322.321	-0.054	20	5		DBBDRO
[NH3+]C1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCOCC1	ZINC000599920463	376344761	/nfs/dbraw/zinc/34/47/61/376344761.db2.gz	JZBDUWOPLLIEQG-UHFFFAOYSA-N	1	0	312.330	-0.402	20	5		DBBDRO
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1	ZINC000315282215	376669801	/nfs/dbraw/zinc/66/98/01/376669801.db2.gz	MMVFVYFZKPMHAD-UHFFFAOYSA-N	1	0	306.322	-0.315	20	5		DBBDRO
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)n1	ZINC000569720740	376689939	/nfs/dbraw/zinc/68/99/39/376689939.db2.gz	IMYQRLFOLSNBDF-LLVKDONJSA-N	1	0	322.369	-0.069	20	5		DBBDRO
CS(=O)(=O)c1ccc(NCCNC(=O)C[NH3+])c([N+](=O)[O-])c1	ZINC000262432909	376926035	/nfs/dbraw/zinc/92/60/35/376926035.db2.gz	KFDXIZJEZKLOHO-UHFFFAOYSA-N	1	0	316.339	-0.515	20	5		DBBDRO
[NH3+][C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1	ZINC000262485602	376960485	/nfs/dbraw/zinc/96/04/85/376960485.db2.gz	YUMCASXGIXBBEK-SECBINFHSA-N	1	0	320.305	-0.120	20	5		DBBDRO
COC[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000572601936	377027679	/nfs/dbraw/zinc/02/76/79/377027679.db2.gz	BTFDEFNZLMGODP-WDEREUQCSA-N	1	0	300.311	-0.069	20	5		DBBDRO
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CC[NH+](C)CC1	ZINC000356444462	378056858	/nfs/dbraw/zinc/05/68/58/378056858.db2.gz	IDJQQYKDAOFGPI-JTQLQIEISA-N	1	0	310.358	-0.306	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@]1(O)CC[N@@H+](C)C1	ZINC000358047582	378398285	/nfs/dbraw/zinc/39/82/85/378398285.db2.gz	LVZGNGWRDSEVEJ-CYBMUJFWSA-N	1	0	311.342	-0.327	20	5		DBBDRO
O=C(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])NCCO	ZINC000575123547	378409883	/nfs/dbraw/zinc/40/98/83/378409883.db2.gz	MFRXCRLZALAXEW-UHFFFAOYSA-N	1	0	310.310	-0.379	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000269594347	379752816	/nfs/dbraw/zinc/75/28/16/379752816.db2.gz	NKUSFXHPLSTULC-NSHDSACASA-N	1	0	311.342	-0.246	20	5		DBBDRO
C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000185886721	379762481	/nfs/dbraw/zinc/76/24/81/379762481.db2.gz	FKKHZDKTNBZTCP-AAEUAGOBSA-N	1	0	311.342	-0.118	20	5		DBBDRO
Nc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000584840332	379851169	/nfs/dbraw/zinc/85/11/69/379851169.db2.gz	WNFDIFZOKHSBDG-UHFFFAOYSA-N	1	0	307.310	-0.661	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CCSCC2)c1	ZINC000230936782	379869745	/nfs/dbraw/zinc/86/97/45/379869745.db2.gz	ZYRLJSHBFRKVNV-LBPRGKRZSA-N	1	0	315.399	-0.209	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCO[C@H]2CCOC2)c1	ZINC000576029961	379968595	/nfs/dbraw/zinc/96/85/95/379968595.db2.gz	HYSLVKGIVCOLDP-STQMWFEESA-N	1	0	314.342	-0.063	20	5		DBBDRO
CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075620746	380147930	/nfs/dbraw/zinc/14/79/30/380147930.db2.gz	PNJBIKDHWAKXPV-NWDGAFQWSA-N	1	0	311.342	-0.295	20	5		DBBDRO
CC[NH+]1CCN([C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000046946315	380396485	/nfs/dbraw/zinc/39/64/85/380396485.db2.gz	FERGFAKFMFNELO-GFCCVEGCSA-N	1	0	324.385	-0.067	20	5		DBBDRO
O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000237956808	380444831	/nfs/dbraw/zinc/44/48/31/380444831.db2.gz	AJNUGMZCYOQZGG-JQWIXIFHSA-N	1	0	321.337	-0.009	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000237959912	380445332	/nfs/dbraw/zinc/44/53/32/380445332.db2.gz	IAQUNNXNZPXXFG-UHFFFAOYSA-N	1	0	321.337	-0.682	20	5		DBBDRO
C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C(N)=O)C1	ZINC000249590360	380854518	/nfs/dbraw/zinc/85/45/18/380854518.db2.gz	VESZBFTVORKDDM-JLLWLGSASA-N	1	0	311.342	-0.262	20	5		DBBDRO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c1	ZINC000270681938	381009919	/nfs/dbraw/zinc/00/99/19/381009919.db2.gz	VFJLEEHQBHVWFW-RWMBFGLXSA-N	1	0	312.322	-0.238	20	5		DBBDRO
O=C(NC1C[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000580823938	382113942	/nfs/dbraw/zinc/11/39/42/382113942.db2.gz	FMBIGBLMHVIBIC-UHFFFAOYSA-N	1	0	320.305	-0.728	20	5		DBBDRO
NS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000107571227	382392246	/nfs/dbraw/zinc/39/22/46/382392246.db2.gz	VICJHBHZHJAUTG-RKDXNWHRSA-N	1	0	312.351	-0.102	20	5		DBBDRO
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000619873505	382525727	/nfs/dbraw/zinc/52/57/27/382525727.db2.gz	JNXQOLPSBUBQAD-GFCCVEGCSA-N	1	0	322.369	-0.313	20	5		DBBDRO
C[C@H](C[NH3+])NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000420017120	382505417	/nfs/dbraw/zinc/50/54/17/382505417.db2.gz	UQJNZSLXZTWCKN-SECBINFHSA-N	1	0	322.321	-0.352	20	5		DBBDRO
CN(CC[NH3+])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000420468084	382508781	/nfs/dbraw/zinc/50/87/81/382508781.db2.gz	FQGDORLCJIBRRY-UHFFFAOYSA-N	1	0	317.323	-0.055	20	5		DBBDRO
CS[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C	ZINC000330647101	382596875	/nfs/dbraw/zinc/59/68/75/382596875.db2.gz	HABWTTNNVCDYLP-IUCAKERBSA-N	1	0	314.371	-0.310	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@@H+]1CCCOCC1	ZINC000275929477	382581426	/nfs/dbraw/zinc/58/14/26/382581426.db2.gz	WAQXNHAFWOSPQN-UHFFFAOYSA-N	1	0	324.337	-0.405	20	5		DBBDRO
Cc1n[nH]c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000353056838	382640443	/nfs/dbraw/zinc/64/04/43/382640443.db2.gz	CGHIEAWQAJWCJM-UHFFFAOYSA-N	1	0	310.314	-0.870	20	5		DBBDRO
CN(CCCN1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000171851665	382663089	/nfs/dbraw/zinc/66/30/89/382663089.db2.gz	RXWYHSHOKDXZCX-UHFFFAOYSA-N	1	0	324.385	-0.113	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC[NH+](C)C)C(=O)C1	ZINC000602861097	382639744	/nfs/dbraw/zinc/63/97/44/382639744.db2.gz	HZVQXSWQMFBKPB-UHFFFAOYSA-N	1	0	324.385	-0.194	20	5		DBBDRO
COC(=O)[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@H+](C)C1	ZINC000602697467	382639812	/nfs/dbraw/zinc/63/98/12/382639812.db2.gz	UBJIVKKUICJIAG-LLVKDONJSA-N	1	0	311.342	-0.135	20	5		DBBDRO
CC[NH+]1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000041442056	382694412	/nfs/dbraw/zinc/69/44/12/382694412.db2.gz	SOFUNQYPOQOMID-UHFFFAOYSA-N	1	0	324.385	-0.065	20	5		DBBDRO
CC(=O)N[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000174737192	382695114	/nfs/dbraw/zinc/69/51/14/382695114.db2.gz	JPQNJBIUCLMVHD-AAEUAGOBSA-N	1	0	311.342	-0.247	20	5		DBBDRO
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1	ZINC000418930694	392139813	/nfs/dbraw/zinc/13/98/13/392139813.db2.gz	FZNDWHFJXXPAPI-JTQLQIEISA-N	1	0	322.321	-0.221	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC[NH2+]CC1	ZINC000428657909	392148465	/nfs/dbraw/zinc/14/84/65/392148465.db2.gz	POVBZIIUQNLBJM-UHFFFAOYSA-N	1	0	310.358	-0.489	20	5		DBBDRO
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1	ZINC000428171468	392148484	/nfs/dbraw/zinc/14/84/84/392148484.db2.gz	SOBPEDXOKALHBT-LLVKDONJSA-N	1	0	321.337	-0.128	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1	ZINC000351831175	392157513	/nfs/dbraw/zinc/15/75/13/392157513.db2.gz	JWESRPBULHGRGY-SECBINFHSA-N	1	0	324.341	-0.365	20	5		DBBDRO
NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1	ZINC000554858034	392136029	/nfs/dbraw/zinc/13/60/29/392136029.db2.gz	VWZNLDUOIWRKPI-SECBINFHSA-N	1	0	324.341	-0.365	20	5		DBBDRO
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C[NH+]1CCN(C)CC1	ZINC000285531062	131178095	/nfs/dbraw/zinc/17/80/95/131178095.db2.gz	KWOHUQDDMQCTPE-JTQLQIEISA-N	1	0	310.358	-0.069	20	5		DBBDRO
CN(C)C(=O)CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1	ZINC000286661552	131245250	/nfs/dbraw/zinc/24/52/50/131245250.db2.gz	DHKJUYCWLZKBSD-UHFFFAOYSA-N	1	0	324.341	-0.446	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC000289319827	131373562	/nfs/dbraw/zinc/37/35/62/131373562.db2.gz	UNGLYDAZPJJAGY-LLVKDONJSA-N	1	0	308.342	-0.703	20	5		DBBDRO
C[N@H+](CCN1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000173643804	392624797	/nfs/dbraw/zinc/62/47/97/392624797.db2.gz	IESBKFAGSJMBCR-CYBMUJFWSA-N	1	0	313.358	-0.584	20	5		DBBDRO
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000184389943	392990653	/nfs/dbraw/zinc/99/06/53/392990653.db2.gz	HMWCADVKAWCHDL-GFCCVEGCSA-N	1	0	324.385	-0.067	20	5		DBBDRO
O=C(NCCCN1CC[NH2+]CC1)Nc1ccncc1[N+](=O)[O-]	ZINC000415383705	393490528	/nfs/dbraw/zinc/49/05/28/393490528.db2.gz	MGDSTDPZIUPHKM-UHFFFAOYSA-N	1	0	308.342	-0.172	20	5		DBBDRO
O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CC[NH2+]CC2)c1	ZINC000036269659	393708207	/nfs/dbraw/zinc/70/82/07/393708207.db2.gz	SILFALCOMDMMNC-UHFFFAOYSA-N	1	0	314.367	-0.222	20	5		DBBDRO
CNc1nccc(C(=O)NCCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000553190588	412336671	/nfs/dbraw/zinc/33/66/71/412336671.db2.gz	ZGIZWGYUJAZNHT-UHFFFAOYSA-N	1	0	323.353	0.484	20	5		DBBDRO
CC(C)OC[C@@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000433166069	266037495	/nfs/dbraw/zinc/03/74/95/266037495.db2.gz	WTILRDGPJUWSJJ-OLZOCXBDSA-N	1	0	316.358	-0.130	20	5		DBBDRO
CCn1cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1	ZINC000440858643	266108667	/nfs/dbraw/zinc/10/86/67/266108667.db2.gz	LMRQKSLUAOOCOH-MRVPVSSYSA-N	1	0	303.344	-0.301	20	5		DBBDRO
O=C(COc1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1	ZINC000514668065	266263518	/nfs/dbraw/zinc/26/35/18/266263518.db2.gz	ZNKHIAPSCGIXTD-UHFFFAOYSA-N	1	0	322.321	-0.478	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2	ZINC000517257393	266292903	/nfs/dbraw/zinc/29/29/03/266292903.db2.gz	MWHRTYFEKLCFTG-CQSZACIVSA-N	1	0	323.353	-0.327	20	5		DBBDRO
CNS(=O)(=O)c1ccc(N(C)C2C[NH2+]C2)c([N+](=O)[O-])c1	ZINC000090290635	277291137	/nfs/dbraw/zinc/29/11/37/277291137.db2.gz	NHDGHQZHXDTBDX-UHFFFAOYSA-N	1	0	300.340	-0.089	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000345554891	279398574	/nfs/dbraw/zinc/39/85/74/279398574.db2.gz	BUVJXIHQJZHIFU-GHMZBOCLSA-N	1	0	309.326	-0.127	20	5		DBBDRO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000584183662	331859325	/nfs/dbraw/zinc/85/93/25/331859325.db2.gz	QMIBIWUAMURSFG-WCBMZHEXSA-N	1	0	307.310	-0.683	20	5		DBBDRO
C[C@H](C[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000569606573	332199945	/nfs/dbraw/zinc/19/99/45/332199945.db2.gz	BPNXEUGDKCBLJP-MRVPVSSYSA-N	1	0	316.339	-0.664	20	5		DBBDRO
[NH3+][C@@H]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CCN2C1=O	ZINC000568415399	341670721	/nfs/dbraw/zinc/67/07/21/341670721.db2.gz	RTCDIXFROAAKKZ-RKDXNWHRSA-N	1	0	317.309	-0.614	20	5		DBBDRO
CCn1nc(C)c([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1	ZINC000574414303	341758008	/nfs/dbraw/zinc/75/80/08/341758008.db2.gz	PCDYNXLVAPYRQM-VHSXEESVSA-N	1	0	308.342	-0.132	20	5		DBBDRO
CC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000246704152	519700584	/nfs/dbraw/zinc/70/05/84/519700584.db2.gz	JPQNJBIUCLMVHD-WCQYABFASA-N	1	0	311.342	-0.247	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+](C)C)CC1	ZINC000347039606	521760068	/nfs/dbraw/zinc/76/00/68/521760068.db2.gz	SCIODISVRKCVFK-UHFFFAOYSA-N	1	0	310.358	-0.352	20	5		DBBDRO
CCn1cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])n1	ZINC000359300873	523445901	/nfs/dbraw/zinc/44/59/01/523445901.db2.gz	HLQHAUSZHLUCFH-IUCAKERBSA-N	1	0	315.355	-0.349	20	5		DBBDRO
C[NH+](C)C1CCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000267250543	524039735	/nfs/dbraw/zinc/03/97/35/524039735.db2.gz	MDLWVLSOJUYRHU-UHFFFAOYSA-N	1	0	324.385	-0.067	20	5		DBBDRO
Cc1n[nH]c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-]	ZINC000343650899	525466668	/nfs/dbraw/zinc/46/66/68/525466668.db2.gz	YDMXLFSGEMXLCO-JTQLQIEISA-N	1	0	308.342	-0.254	20	5		DBBDRO
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000346672398	526986002	/nfs/dbraw/zinc/98/60/02/526986002.db2.gz	UJNCPWVNVWBKFE-MGAJPHDKSA-N	1	0	323.353	-0.262	20	5		DBBDRO
[NH3+]CC(=O)NCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000347675718	527158945	/nfs/dbraw/zinc/15/89/45/527158945.db2.gz	SKRHMGFCNIKPOI-VIFPVBQESA-N	1	0	322.325	-0.923	20	5		DBBDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000267379763	527378683	/nfs/dbraw/zinc/37/86/83/527378683.db2.gz	OREUQBPXPIZGNV-LBPRGKRZSA-N	1	0	323.353	-0.028	20	5		DBBDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCCNC1=O	ZINC000369827991	536421235	/nfs/dbraw/zinc/42/12/35/536421235.db2.gz	CEGXIKGZWDONPT-VXGBXAGGSA-N	1	0	311.342	-0.247	20	5		DBBDRO
O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000978803248	665571818	/nfs/dbraw/zinc/57/18/18/665571818.db2.gz	HOYYSFXXCYSSGB-YVECIDJPSA-N	1	0	324.381	-0.242	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCn2cncn2)CC1	ZINC000981138149	665824208	/nfs/dbraw/zinc/82/42/08/665824208.db2.gz	MXDWHRJUAFSQMJ-VXGBXAGGSA-N	1	0	308.342	-0.522	20	5		DBBDRO
NC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1	ZINC000610368627	664051987	/nfs/dbraw/zinc/05/19/87/664051987.db2.gz	FETLFTMSOHRPSL-LBPRGKRZSA-N	1	0	311.342	-0.118	20	5		DBBDRO
O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775405	665085382	/nfs/dbraw/zinc/08/53/82/665085382.db2.gz	XQIDMRBNVHYXCA-DIACKHNESA-N	1	0	322.365	-0.680	20	5		DBBDRO
O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC1	ZINC001025775412	665085474	/nfs/dbraw/zinc/08/54/74/665085474.db2.gz	XZDQYPFQCMSAGO-DIACKHNESA-N	1	0	322.365	-0.680	20	5		DBBDRO
C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@]2(C)C1	ZINC000913288031	674797671	/nfs/dbraw/zinc/79/76/71/674797671.db2.gz	ANENEJZQXZIVFQ-BETUJISGSA-N	1	0	308.342	-0.014	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](CC3CC3)C2)CC1	ZINC000941406804	677800642	/nfs/dbraw/zinc/80/06/42/677800642.db2.gz	FXBWLZJOKGKWFJ-ZIAGYGMSSA-N	1	0	308.382	-0.110	20	5		DBBDRO
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C12CCC[NH+]1CCC2	ZINC000996340735	678236880	/nfs/dbraw/zinc/23/68/80/678236880.db2.gz	OFHZOBXWMULPLX-VXGBXAGGSA-N	1	0	322.365	-0.393	20	5		DBBDRO
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN3CC[NH2+]C[C@@H]3C2)c1	ZINC001164399512	718836052	/nfs/dbraw/zinc/83/60/52/718836052.db2.gz	YPEXANHOQXEXEV-SNVBAGLBSA-N	1	0	313.745	-0.025	20	5		DBBDRO
CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000843110149	805608085	/nfs/dbraw/zinc/60/80/85/805608085.db2.gz	KTLMEQBIQVOCMN-JQWIXIFHSA-N	1	0	313.310	-0.969	20	5		DBBDRO
CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000843108637	805608178	/nfs/dbraw/zinc/60/81/78/805608178.db2.gz	AOXVTPMKYBFQTM-ONGXEEELSA-N	1	0	313.310	-0.969	20	5		DBBDRO
CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000843110151	805608253	/nfs/dbraw/zinc/60/82/53/805608253.db2.gz	KTLMEQBIQVOCMN-ZYHUDNBSSA-N	1	0	313.310	-0.969	20	5		DBBDRO
CNC(=O)[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000843110148	805608466	/nfs/dbraw/zinc/60/84/66/805608466.db2.gz	KTLMEQBIQVOCMN-CMPLNLGQSA-N	1	0	313.310	-0.969	20	5		DBBDRO
CNC(=O)[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000843111781	805609254	/nfs/dbraw/zinc/60/92/54/805609254.db2.gz	VSWFPBMNASXFSK-NSHDSACASA-N	1	0	310.310	-0.380	20	5		DBBDRO
Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000843317221	805616863	/nfs/dbraw/zinc/61/68/63/805616863.db2.gz	HZYRYSRROAGKLX-UHFFFAOYSA-N	1	0	307.310	-0.661	20	5		DBBDRO
O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848306798	805833482	/nfs/dbraw/zinc/83/34/82/805833482.db2.gz	JWFCRADHKJIYHT-MJBXVCDLSA-N	1	0	321.333	-0.094	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@H]3COCC[C@@H]32)c1	ZINC001308107853	805933782	/nfs/dbraw/zinc/93/37/82/805933782.db2.gz	ZMBUJDGLFAABQI-FRRDWIJNSA-N	1	0	312.326	-0.358	20	5		DBBDRO
NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC001308110226	805933932	/nfs/dbraw/zinc/93/39/32/805933932.db2.gz	FWTGNFFUSOIQSV-SUHUHFCYSA-N	1	0	323.353	-0.260	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCCO	ZINC001317734281	806228293	/nfs/dbraw/zinc/22/82/93/806228293.db2.gz	IIRVWXXKNWJNSC-YVECIDJPSA-N	1	0	313.354	-0.664	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH2+]CCO)CC1	ZINC001319577255	806394471	/nfs/dbraw/zinc/39/44/71/806394471.db2.gz	RJHHCBRBXZRDNK-UHFFFAOYSA-N	1	0	309.326	-0.361	20	5		DBBDRO
O=C1C[C@@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1	ZINC001322285532	806729583	/nfs/dbraw/zinc/72/95/83/806729583.db2.gz	CIZBSDANNLTDAO-AAEUAGOBSA-N	1	0	309.326	-0.636	20	5		DBBDRO
CS(=O)(=O)NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000158621079	803821932	/nfs/dbraw/zinc/82/19/32/803821932.db2.gz	LPXCXXDFQASUKV-LLVKDONJSA-N	1	0	303.340	-0.233	20	5		DBBDRO
Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1	ZINC000360743927	803847754	/nfs/dbraw/zinc/84/77/54/803847754.db2.gz	HCGWYFFOAJIVLN-UHFFFAOYSA-N	1	0	311.342	-0.095	20	5		DBBDRO
CCNC(=O)CN(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C	ZINC001278908709	803860974	/nfs/dbraw/zinc/86/09/74/803860974.db2.gz	WCRXUFLPECVEOS-VXGBXAGGSA-N	1	0	314.386	-0.044	20	5		DBBDRO
O=C(CCn1ccnc1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284054213	804632837	/nfs/dbraw/zinc/63/28/37/804632837.db2.gz	MGPZEPNIDOOCIU-DDHJBXDOSA-N	1	0	321.337	-0.298	20	5		DBBDRO
CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284092278	804638386	/nfs/dbraw/zinc/63/83/86/804638386.db2.gz	VCLSSZAZDNKTSX-WRWGMCAJSA-N	1	0	312.370	-0.243	20	5		DBBDRO
CC(C)[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001284160025	804649295	/nfs/dbraw/zinc/64/92/95/804649295.db2.gz	FBFJSBQOAWBIGQ-DIACKHNESA-N	1	0	324.381	-0.435	20	5		DBBDRO
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnc1	ZINC001284522276	804729448	/nfs/dbraw/zinc/72/94/48/804729448.db2.gz	UAYGTOTUAYTAJH-GHMZBOCLSA-N	1	0	309.326	-0.487	20	5		DBBDRO
COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	ZINC000794963809	804751993	/nfs/dbraw/zinc/75/19/93/804751993.db2.gz	KILUBQQQXOZIHQ-NNYUYHANSA-N	1	0	310.310	-0.497	20	5		DBBDRO
O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284915992	804796808	/nfs/dbraw/zinc/79/68/08/804796808.db2.gz	QIEICRYMPKUWRW-CHWSQXEVSA-N	1	0	324.381	-0.145	20	5		DBBDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)C[NH+]1CCCC1	ZINC000808223800	804954764	/nfs/dbraw/zinc/95/47/64/804954764.db2.gz	ZGGBEEDWMUKPLB-NSHDSACASA-N	1	0	324.337	-0.671	20	5		DBBDRO
O=C1CN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1	ZINC000819218475	805123790	/nfs/dbraw/zinc/12/37/90/805123790.db2.gz	HPHZZHPNITXLIN-ZDUSSCGKSA-N	1	0	308.338	-0.350	20	5		DBBDRO
NC(=O)C1=NO[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000819252771	805125401	/nfs/dbraw/zinc/12/54/01/805125401.db2.gz	KKIFXCNRMGDPSI-CMPLNLGQSA-N	1	0	308.294	-0.152	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1	ZINC001326520124	807189504	/nfs/dbraw/zinc/18/95/04/807189504.db2.gz	VPZCPMJTEQEIBU-RAIGVLPGSA-N	1	0	314.342	-0.471	20	5		DBBDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC001328349480	807414819	/nfs/dbraw/zinc/41/48/19/807414819.db2.gz	IUMXITGGAUBBJJ-SNVBAGLBSA-N	1	0	308.338	-0.022	20	5		DBBDRO
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001328965945	807496418	/nfs/dbraw/zinc/49/64/18/807496418.db2.gz	TWUFOHFFQZPZEA-MWLCHTKSSA-N	1	0	321.337	-0.147	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)n1	ZINC001329058734	807512504	/nfs/dbraw/zinc/51/25/04/807512504.db2.gz	COHPBFDNQBZJFN-UWVGGRQHSA-N	1	0	309.326	-0.391	20	5		DBBDRO
O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCC[NH2+]1	ZINC001329069181	807514613	/nfs/dbraw/zinc/51/46/13/807514613.db2.gz	KAEMRZJJRHYQCT-NSHDSACASA-N	1	0	322.321	-0.684	20	5		DBBDRO
Cn1cc([C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC001329434854	807565404	/nfs/dbraw/zinc/56/54/04/807565404.db2.gz	YJSKYSNVHIRNLS-NEPJUHHUSA-N	1	0	310.314	-0.791	20	5		DBBDRO
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH2+]C[C@H]2C(F)F)c1	ZINC000923352731	807661401	/nfs/dbraw/zinc/66/14/01/807661401.db2.gz	QPMLISFFMAMVOG-ZJUUUORDSA-N	1	0	305.285	-0.309	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)n1	ZINC001333282481	808038291	/nfs/dbraw/zinc/03/82/91/808038291.db2.gz	VAJGABFTARWLSD-UHFFFAOYSA-N	1	0	308.342	-0.600	20	5		DBBDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1[NH2+]CC12CCOCC2	ZINC001340526320	808641212	/nfs/dbraw/zinc/64/12/12/808641212.db2.gz	CLKDHDFPODUBLG-NSHDSACASA-N	1	0	309.326	-0.324	20	5		DBBDRO
CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001020139153	814311619	/nfs/dbraw/zinc/31/16/19/814311619.db2.gz	UATOCJJGKXEENR-GWOFURMSSA-N	1	0	308.342	-0.300	20	5		DBBDRO
Cn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC001034643806	814709770	/nfs/dbraw/zinc/70/97/70/814709770.db2.gz	SZRBKDAPPOJMNL-FPQZTECRSA-N	1	0	322.369	-0.003	20	5		DBBDRO
Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001048814368	817448324	/nfs/dbraw/zinc/44/83/24/817448324.db2.gz	HSPADUDYQCYDQS-XJFOESAGSA-N	1	0	319.365	-0.025	20	5		DBBDRO
O=C(NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1	ZINC001055575061	818257543	/nfs/dbraw/zinc/25/75/43/818257543.db2.gz	KIBCTQXGSHTUGU-CHWSQXEVSA-N	1	0	324.381	-0.242	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCn1cncn1)C2	ZINC001072725926	820995724	/nfs/dbraw/zinc/99/57/24/820995724.db2.gz	VZSBROVWIXSOCR-VXGBXAGGSA-N	1	0	320.353	-0.522	20	5		DBBDRO
O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCC1	ZINC001086082174	825175357	/nfs/dbraw/zinc/17/53/57/825175357.db2.gz	BCALHKRUZKLXDM-WRWGMCAJSA-N	1	0	310.354	-0.632	20	5		DBBDRO
CC[NH+](CC)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093646526	826153105	/nfs/dbraw/zinc/15/31/05/826153105.db2.gz	DQSQISBNNIYINW-UHFFFAOYSA-N	1	0	311.346	-0.163	20	5		DBBDRO
COc1nc(-n2cc(C[NH3+])cnc2=N)nc(OC)c1[N+](=O)[O-]	ZINC001161415444	833014147	/nfs/dbraw/zinc/01/41/47/833014147.db2.gz	IRQNWFFAUPQXAX-UHFFFAOYSA-N	1	0	307.270	-0.474	20	5		DBBDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCCO)CC1	ZINC001098364943	826471669	/nfs/dbraw/zinc/47/16/69/826471669.db2.gz	FQBNPFPFOLBZOV-CHWSQXEVSA-N	1	0	315.370	-0.681	20	5		DBBDRO
O=C1C=C(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCN1	ZINC001162643191	833115190	/nfs/dbraw/zinc/11/51/90/833115190.db2.gz	OCVPUPKJUWDTED-UHFFFAOYSA-N	1	0	319.325	-0.390	20	5		DBBDRO
CN1CCO[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1	ZINC001162684155	833116795	/nfs/dbraw/zinc/11/67/95/833116795.db2.gz	RWAUDMWDYNILMZ-JTQLQIEISA-N	1	0	308.342	-0.186	20	5		DBBDRO
Nc1cn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(N)nc1=O	ZINC001162727890	833117539	/nfs/dbraw/zinc/11/75/39/833117539.db2.gz	DAENPJQOFJZDTD-UHFFFAOYSA-N	1	0	304.270	-0.975	20	5		DBBDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1COCCC12C[NH2+]C2	ZINC001163066888	833130249	/nfs/dbraw/zinc/13/02/49/833130249.db2.gz	XMAHGJYXXCGSHN-SNVBAGLBSA-N	1	0	307.310	-0.121	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@]2([N-]c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])N1	ZINC001163243785	833141966	/nfs/dbraw/zinc/14/19/66/833141966.db2.gz	XEGZWOKFXGNGHH-AMIZOPFISA-N	1	0	319.325	-0.938	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)N1	ZINC001163254436	833142968	/nfs/dbraw/zinc/14/29/68/833142968.db2.gz	NNOHVECNRVUTCH-QMTHXVAHSA-N	1	0	317.305	-0.172	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])c3nncn3c2)N1	ZINC001163254759	833143807	/nfs/dbraw/zinc/14/38/07/833143807.db2.gz	UMWKSXLSJCPECJ-SKDRFNHKSA-N	1	0	303.282	-0.373	20	5		DBBDRO
O=[N+]([O-])c1c(N[C@H]2C=CS(=O)(=O)C2)ncnc1C1C[NH2+]C1	ZINC001164012578	833189656	/nfs/dbraw/zinc/18/96/56/833189656.db2.gz	JPRUODYWHVJPHP-QMMMGPOBSA-N	1	0	311.323	-0.206	20	5		DBBDRO
CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001164490735	833213879	/nfs/dbraw/zinc/21/38/79/833213879.db2.gz	UOTLZQSSHIIHDP-GHMZBOCLSA-N	1	0	312.370	-0.336	20	5		DBBDRO
Nc1cc([N+](=O)[O-])cnc1N1CC(=O)NC2(CC[NH2+]CC2)C1	ZINC001165254768	833232709	/nfs/dbraw/zinc/23/27/09/833232709.db2.gz	JKBHNEYEMJYLGA-UHFFFAOYSA-N	1	0	306.326	-0.370	20	5		DBBDRO
Nc1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-]	ZINC001165256466	833233838	/nfs/dbraw/zinc/23/38/38/833233838.db2.gz	ZQSOCULMNDNCFE-UHFFFAOYSA-N	1	0	306.326	-0.370	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCOCC23C[NH2+]C3)n1	ZINC001165287139	833237057	/nfs/dbraw/zinc/23/70/57/833237057.db2.gz	QCWBGFDCGHTLLQ-UHFFFAOYSA-N	1	0	308.294	-0.045	20	5		DBBDRO
O=C1NCCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C12C[NH2+]C2	ZINC001165297471	833237412	/nfs/dbraw/zinc/23/74/12/833237412.db2.gz	DVQWGTVLVJVIQP-UHFFFAOYSA-N	1	0	313.701	-0.840	20	5		DBBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCNC(=O)C12C[NH2+]C2	ZINC001165297823	833237743	/nfs/dbraw/zinc/23/77/43/833237743.db2.gz	MBSNNJJLBYVMGM-UHFFFAOYSA-N	1	0	321.293	-0.945	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@H]2C(=O)OC)n1	ZINC001165441585	833246239	/nfs/dbraw/zinc/24/62/39/833246239.db2.gz	DIVABIWQLHGUGR-JTQLQIEISA-N	1	0	324.293	-0.272	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCN1c1nc(OC)nc(C)c1[N+](=O)[O-]	ZINC001165438542	833246484	/nfs/dbraw/zinc/24/64/84/833246484.db2.gz	GIJBTWBNXOYCAP-MRVPVSSYSA-N	1	0	311.298	-0.347	20	5		DBBDRO
COC(=O)[C@@H]1C[NH2+]CCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-]	ZINC001165438629	833246778	/nfs/dbraw/zinc/24/67/78/833246778.db2.gz	IXIUWBGZQXSALU-QMMMGPOBSA-N	1	0	316.701	-0.167	20	5		DBBDRO
COC(=O)[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001165438276	833246895	/nfs/dbraw/zinc/24/68/95/833246895.db2.gz	ZXDHBLFAMHEWSB-SECBINFHSA-N	1	0	311.254	-0.151	20	5		DBBDRO
COc1nc(N(C2C[NH2+]C2)S(C)(=O)=O)ncc1[N+](=O)[O-]	ZINC001166966241	833287217	/nfs/dbraw/zinc/28/72/17/833287217.db2.gz	CSDHXQZAJDEXDG-UHFFFAOYSA-N	1	0	303.300	-0.869	20	5		DBBDRO
O=C1CC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CCN12	ZINC001166954928	833287371	/nfs/dbraw/zinc/28/73/71/833287371.db2.gz	NHCVEWOOQUFATM-SNVBAGLBSA-N	1	0	318.337	-0.117	20	5		DBBDRO
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001166963673	833287524	/nfs/dbraw/zinc/28/75/24/833287524.db2.gz	QXSGIVOUKOUNMM-MUWHJKNJSA-N	1	0	311.254	-0.023	20	5		DBBDRO
COc1cnc(N(C2C[NH2+]C2)S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC001166967421	833287815	/nfs/dbraw/zinc/28/78/15/833287815.db2.gz	FPEOHLXVPHKSSI-UHFFFAOYSA-N	1	0	302.312	-0.264	20	5		DBBDRO
Cc1ncc(C[NH3+])c(=N)n1-c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001167671327	833305946	/nfs/dbraw/zinc/30/59/46/833305946.db2.gz	ARTUPZYFZZMKJH-UHFFFAOYSA-N	1	0	303.282	-0.479	20	5		DBBDRO
Cc1ncc(C[NH3+])c(=N)n1-c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001167673030	833306031	/nfs/dbraw/zinc/30/60/31/833306031.db2.gz	GPGCYSTWGMPJPC-UHFFFAOYSA-N	1	0	303.282	-0.479	20	5		DBBDRO
[NH3+]CCc1cnn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])c1	ZINC001168945803	833331768	/nfs/dbraw/zinc/33/17/68/833331768.db2.gz	CLTTZGPXRBWULC-UHFFFAOYSA-N	1	0	319.325	-0.092	20	5		DBBDRO
COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168972576	833332140	/nfs/dbraw/zinc/33/21/40/833332140.db2.gz	NKYIJDAWJZCWJG-VWYCJHECSA-N	1	0	315.374	-0.174	20	5		DBBDRO
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)C1	ZINC001168987804	833332161	/nfs/dbraw/zinc/33/21/61/833332161.db2.gz	KHUYIDWCDXXKRW-NEPJUHHUSA-N	1	0	305.400	-0.248	20	5		DBBDRO
CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2	ZINC001169028376	833332651	/nfs/dbraw/zinc/33/26/51/833332651.db2.gz	RWUQLLHHSKEWQX-GUTXKFCHSA-N	1	0	324.381	-0.145	20	5		DBBDRO
CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2	ZINC001169028381	833332696	/nfs/dbraw/zinc/33/26/96/833332696.db2.gz	RWUQLLHHSKEWQX-YDHLFZDLSA-N	1	0	324.381	-0.145	20	5		DBBDRO
COCC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC[NH2+]CC1	ZINC001118147585	829040413	/nfs/dbraw/zinc/04/04/13/829040413.db2.gz	HUQWIDISPFHUIL-UHFFFAOYSA-N	1	0	312.330	-0.681	20	5		DBBDRO
CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001121077214	829427205	/nfs/dbraw/zinc/42/72/05/829427205.db2.gz	MENBVGOVWUPQEH-GLVIPLPLSA-N	1	0	310.354	-0.585	20	5		DBBDRO
O=C(CN1CN=NC1=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001126021200	829896641	/nfs/dbraw/zinc/89/66/41/829896641.db2.gz	IJVVURVDTBAIDC-UHFFFAOYSA-N	1	0	320.309	-0.202	20	5		DBBDRO
CNC(=O)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC001126161377	829908411	/nfs/dbraw/zinc/90/84/11/829908411.db2.gz	JHGOKSFFQNRDAS-UHFFFAOYSA-N	1	0	300.340	-0.002	20	5		DBBDRO
Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1	ZINC001126936421	829970146	/nfs/dbraw/zinc/97/01/46/829970146.db2.gz	GSZCGPPPRYOMRF-RKDXNWHRSA-N	1	0	311.298	-0.707	20	5		DBBDRO
CC(C)(C)CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936658	829971609	/nfs/dbraw/zinc/97/16/09/829971609.db2.gz	PGZNXCRDBRODGZ-GHMZBOCLSA-N	1	0	314.386	-0.090	20	5		DBBDRO
O=C(NCC[NH2+]CCCCCn1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938528	829971711	/nfs/dbraw/zinc/97/17/11/829971711.db2.gz	CQMTUYHUZIGYIQ-VXGBXAGGSA-N	1	0	310.358	-0.181	20	5		DBBDRO
CCO[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+](C)C	ZINC001133571569	830789207	/nfs/dbraw/zinc/78/92/07/830789207.db2.gz	HECMHTDDVXXXAI-SECBINFHSA-N	1	0	300.319	-0.731	20	5		DBBDRO
O=C(CCn1cnnn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC001135677628	831106557	/nfs/dbraw/zinc/10/65/57/831106557.db2.gz	RJFFOSDHNSJKED-UHFFFAOYSA-N	1	0	319.325	-0.123	20	5		DBBDRO
CN1CC[NH+](CC2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1	ZINC001141387759	831191511	/nfs/dbraw/zinc/19/15/11/831191511.db2.gz	UDOWBSINLXHDQH-UHFFFAOYSA-N	1	0	308.342	-0.363	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC001144246808	831249863	/nfs/dbraw/zinc/24/98/63/831249863.db2.gz	VJJGUUSTMXAOHX-WDEREUQCSA-N	1	0	309.326	-0.623	20	5		DBBDRO
CN(CC[N@H+](C)CCO)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001149206005	831507444	/nfs/dbraw/zinc/50/74/44/831507444.db2.gz	OXXQEMLQZVNTKK-UHFFFAOYSA-N	1	0	312.326	-0.861	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C[NH+]1CCCC1	ZINC001151114869	831665899	/nfs/dbraw/zinc/66/58/99/831665899.db2.gz	QZRRBQZIXXFAPL-UHFFFAOYSA-N	1	0	310.358	-0.370	20	5		DBBDRO
O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])N1	ZINC001155576672	831940663	/nfs/dbraw/zinc/94/06/63/831940663.db2.gz	RKVKHQQAQHZEBJ-RDDDGLTNSA-N	1	0	313.701	-0.128	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])N1	ZINC001155576674	831940836	/nfs/dbraw/zinc/94/08/36/831940836.db2.gz	RKVKHQQAQHZEBJ-WRWORJQWSA-N	1	0	313.701	-0.128	20	5		DBBDRO
O=C1C[C@@H]2[NH2+]CC[C@]2([N-]c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)N1	ZINC001155579252	831940987	/nfs/dbraw/zinc/94/09/87/831940987.db2.gz	DTVQPFMBDINCJF-TVQRCGJNSA-N	1	0	319.325	-0.938	20	5		DBBDRO
O=[N+]([O-])c1cnc(N[C@H]2C=CS(=O)(=O)C2)nc1C1C[NH2+]C1	ZINC001156067145	831967205	/nfs/dbraw/zinc/96/72/05/831967205.db2.gz	LAKNWIYGXPNLGF-QMMMGPOBSA-N	1	0	311.323	-0.206	20	5		DBBDRO
CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)CC[NH3+]	ZINC001156231819	831975847	/nfs/dbraw/zinc/97/58/47/831975847.db2.gz	NVVZWDOXRQQRIP-UHFFFAOYSA-N	1	0	305.272	-0.377	20	5		DBBDRO
COc1nc(-n2c(C)ncc(C[NH3+])c2=N)nc(OC)c1[N+](=O)[O-]	ZINC001156828766	832002891	/nfs/dbraw/zinc/00/28/91/832002891.db2.gz	CYBWNVNLJMNOLQ-UHFFFAOYSA-N	1	0	321.297	-0.166	20	5		DBBDRO
CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767465	832061759	/nfs/dbraw/zinc/06/17/59/832061759.db2.gz	NLSUNKMVLWMTDQ-GHMZBOCLSA-N	1	0	300.359	-0.386	20	5		DBBDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccon1	ZINC001157774796	832062580	/nfs/dbraw/zinc/06/25/80/832062580.db2.gz	AOMJQOHXNXAZIM-RKDXNWHRSA-N	1	0	311.298	-0.626	20	5		DBBDRO
O=[N+]([O-])c1c(NCC2OCCO2)ncnc1N1CC[NH2+]CC1	ZINC001158196731	832098329	/nfs/dbraw/zinc/09/83/29/832098329.db2.gz	SKKULPCTWMZYRV-UHFFFAOYSA-N	1	0	310.314	-0.421	20	5		DBBDRO
COC(=O)c1ccc([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001158209185	832100117	/nfs/dbraw/zinc/10/01/17/832100117.db2.gz	JZUZNZAFFJWHRO-MRVPVSSYSA-N	1	0	321.293	-0.176	20	5		DBBDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCC(O)CC1	ZINC001158274111	832101918	/nfs/dbraw/zinc/10/19/18/832101918.db2.gz	QQPHXVYLNKZTAL-UHFFFAOYSA-N	1	0	311.342	-0.327	20	5		DBBDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCC[N@@H+](CCCO)C1	ZINC001158483753	832115908	/nfs/dbraw/zinc/11/59/08/832115908.db2.gz	SFSQBNLWVWUAKU-SNVBAGLBSA-N	1	0	312.330	-0.851	20	5		DBBDRO
COc1nc(N2C[C@@H]([NH3+])C3(COC3)C2)nc(OC)c1[N+](=O)[O-]	ZINC001158762523	832134647	/nfs/dbraw/zinc/13/46/47/832134647.db2.gz	PNXFKLXTCRTTDV-SSDOTTSWSA-N	1	0	311.298	-0.434	20	5		DBBDRO
CNC(=O)[C@H](C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001158982344	832148873	/nfs/dbraw/zinc/14/88/73/832148873.db2.gz	XNFPGKYCGIYMLD-QMMMGPOBSA-N	1	0	309.330	-0.659	20	5		DBBDRO
CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])c(OC)n1	ZINC001159750195	832839318	/nfs/dbraw/zinc/83/93/18/832839318.db2.gz	GUWOQRJLOYVAPG-HTQZYQBOSA-N	1	0	311.298	-0.044	20	5		DBBDRO
O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)NC1CC1	ZINC001273084184	832877496	/nfs/dbraw/zinc/87/74/96/832877496.db2.gz	FMVPVBMGTRRCFA-GHMZBOCLSA-N	1	0	310.354	-0.441	20	5		DBBDRO
[NH3+]CCN(CCNc1nc(Cl)ncc1[N+](=O)[O-])N(O)N=O	ZINC001161088152	832974588	/nfs/dbraw/zinc/97/45/88/832974588.db2.gz	YPALNHWIOOXWOO-UHFFFAOYSA-N	1	0	320.697	-0.002	20	5		DBBDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cn1ccnc1	ZINC001177400009	833466549	/nfs/dbraw/zinc/46/65/49/833466549.db2.gz	AHOJBFKZUIIBDV-UHFFFAOYSA-N	1	0	321.341	-0.179	20	5		DBBDRO
NC(=O)[C@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(N)=O	ZINC001196091751	834757768	/nfs/dbraw/zinc/75/77/68/834757768.db2.gz	BKGFRFSWYBIJED-UWVGGRQHSA-N	1	0	310.285	-0.248	20	5		DBBDRO
O=C1C[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1	ZINC001261437288	834784411	/nfs/dbraw/zinc/78/44/11/834784411.db2.gz	ZFXSKSWKNCETOB-GXFFZTMASA-N	1	0	323.353	-0.247	20	5		DBBDRO
Cc1nn(C)c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-]	ZINC001261493675	834794420	/nfs/dbraw/zinc/79/44/20/834794420.db2.gz	MNGPRUUBIWESKJ-NSHDSACASA-N	1	0	322.369	-0.244	20	5		DBBDRO
O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CC1	ZINC001200461959	835131185	/nfs/dbraw/zinc/13/11/85/835131185.db2.gz	OADABNADRPQMET-CHWSQXEVSA-N	1	0	324.381	-0.242	20	5		DBBDRO
O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1	ZINC001485682957	1013320920	/nfs/dbraw/zinc/32/09/20/1013320920.db2.gz	BHVKRKRAWIYLAB-FDYHWXHSSA-N	1	0	324.381	-0.338	20	5		DBBDRO
CCN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001497390795	1017363140	/nfs/dbraw/zinc/36/31/40/1017363140.db2.gz	MDYSPAMNTQEEDX-VXGBXAGGSA-N	1	0	312.370	-0.288	20	5		DBBDRO
CC[NH+](CC)C[C@@H](C)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224796464	979584305	/nfs/dbraw/zinc/58/43/05/979584305.db2.gz	JPZQUWLSBCZNNJ-SNVBAGLBSA-N	1	0	318.330	-0.175	20	5		DBBDRO
C[N@@H+]1CCC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224797286	979584374	/nfs/dbraw/zinc/58/43/74/979584374.db2.gz	NIOGMIJYAOBKAN-VIFPVBQESA-N	1	0	302.287	-0.811	20	5		DBBDRO
CC[N@@H+]1CC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224797843	979585488	/nfs/dbraw/zinc/58/54/88/979585488.db2.gz	UFYFFDMUBCHOSJ-VIFPVBQESA-N	1	0	302.287	-0.811	20	5		DBBDRO
[NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001346056444	980110665	/nfs/dbraw/zinc/11/06/65/980110665.db2.gz	PWZJCXBKBMTAOW-PWSUYJOCSA-N	1	0	324.341	-0.459	20	5		DBBDRO
O=C(N[C@H]1CC[NH2+]C1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001350346657	980564192	/nfs/dbraw/zinc/56/41/92/980564192.db2.gz	VJDSIELGIGRXDN-NSHDSACASA-N	1	0	304.306	-0.085	20	5		DBBDRO
C[NH+](C)CCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001350864930	980609406	/nfs/dbraw/zinc/60/94/06/980609406.db2.gz	NXVNGXMBNBYEPV-VXGBXAGGSA-N	1	0	312.370	-0.290	20	5		DBBDRO
Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CCOCC2)CC1	ZINC001355420878	980894096	/nfs/dbraw/zinc/89/40/96/980894096.db2.gz	RWKVMQWGGHIKLV-UHFFFAOYSA-N	1	0	310.358	-0.107	20	5		DBBDRO
CN1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC001356533629	980955208	/nfs/dbraw/zinc/95/52/08/980955208.db2.gz	RWQSOWBCWPANHR-ZYHUDNBSSA-N	1	0	311.342	-0.390	20	5		DBBDRO
CN(CC[NH2+]CCCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001493545881	1015984237	/nfs/dbraw/zinc/98/42/37/1015984237.db2.gz	QZHJWQBBNKMTNA-VXGBXAGGSA-N	1	0	312.370	-0.288	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1	ZINC001460219535	1009077402	/nfs/dbraw/zinc/07/74/02/1009077402.db2.gz	AHJPJRPHLZIIBN-DMDPSCGWSA-N	1	0	312.322	-0.381	20	5		DBBDRO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1	ZINC001460219538	1009078043	/nfs/dbraw/zinc/07/80/43/1009078043.db2.gz	AHJPJRPHLZIIBN-WZRBSPASSA-N	1	0	312.322	-0.381	20	5		DBBDRO
NS(=O)(=O)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001460884281	1009122113	/nfs/dbraw/zinc/12/21/13/1009122113.db2.gz	YFCJQPJLLNLGBA-SECBINFHSA-N	1	0	303.344	-0.598	20	5		DBBDRO
NC(=O)C1(O)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC001473469866	1009923187	/nfs/dbraw/zinc/92/31/87/1009923187.db2.gz	WGXQKBBHMVNBBB-LBPRGKRZSA-N	1	0	309.322	-0.060	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)n1	ZINC001449352628	1010452538	/nfs/dbraw/zinc/45/25/38/1010452538.db2.gz	BULAVYIPUSISDD-JTQLQIEISA-N	1	0	311.342	-0.095	20	5		DBBDRO
CCN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1	ZINC001480203049	1010574322	/nfs/dbraw/zinc/57/43/22/1010574322.db2.gz	DAJRSNRSDHFAFR-LYIQGSDWSA-N	1	0	324.381	-0.101	20	5		DBBDRO
CCn1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001483464852	1011881461	/nfs/dbraw/zinc/88/14/61/1011881461.db2.gz	UUMFDWGJHXMUMW-VXGBXAGGSA-N	1	0	310.358	-0.099	20	5		DBBDRO
Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)n1	ZINC001455302984	1012327370	/nfs/dbraw/zinc/32/73/70/1012327370.db2.gz	BHBXHNKITNAWEZ-VHSXEESVSA-N	1	0	309.326	-0.391	20	5		DBBDRO
Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1(O)CC[NH+](C)CC1	ZINC001618680488	1019798404	/nfs/dbraw/zinc/79/84/04/1019798404.db2.gz	YKRWFYSRFFORHR-UHFFFAOYSA-N	1	0	311.342	-0.327	20	5		DBBDRO
O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCC1	ZINC001506884670	1019981378	/nfs/dbraw/zinc/98/13/78/1019981378.db2.gz	VBUNJMGQPOYLBC-FDYHWXHSSA-N	1	0	324.381	-0.242	20	5		DBBDRO
CN(CC(=O)NC[C@@]1(O)CC[NH2+]C1)c1ccccc1[N+](=O)[O-]	ZINC001578437003	1020240135	/nfs/dbraw/zinc/24/01/35/1020240135.db2.gz	ZCHBKUBTMFACHH-CQSZACIVSA-N	1	0	308.338	-0.128	20	5		DBBDRO
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H](O)C[NH3+])cc1F	ZINC001579642702	1020528245	/nfs/dbraw/zinc/52/82/45/1020528245.db2.gz	RMNGEDAYWIVBBW-QMMMGPOBSA-N	1	0	321.330	-0.018	20	5		DBBDRO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1O	ZINC001579642507	1020529371	/nfs/dbraw/zinc/52/93/71/1020529371.db2.gz	IVUWDXOJQFOUDZ-MNOVXSKESA-N	1	0	315.351	-0.096	20	5		DBBDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCOC2(CC[NH2+]CC2)C1	ZINC001580008841	1020626871	/nfs/dbraw/zinc/62/68/71/1020626871.db2.gz	CIDHQCJFLSAKCN-UHFFFAOYSA-N	1	0	309.326	-0.077	20	5		DBBDRO
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CC[NH2+]1	ZINC001580548336	1020748697	/nfs/dbraw/zinc/74/86/97/1020748697.db2.gz	XXJCDKVENTWSBU-QMMMGPOBSA-N	1	0	318.289	-0.331	20	5		DBBDRO
O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1	ZINC001580573933	1020755814	/nfs/dbraw/zinc/75/58/14/1020755814.db2.gz	GFTLWDOHWUZDBZ-NSHDSACASA-N	1	0	318.333	-0.174	20	5		DBBDRO
CCCN(CCNC(=O)Cn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001581396600	1020834024	/nfs/dbraw/zinc/83/40/24/1020834024.db2.gz	HZRRUVIOPLDIKW-VXGBXAGGSA-N	1	0	323.353	-0.097	20	5		DBBDRO
O=C(C[NH+]1CCCC1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001583311129	1020987557	/nfs/dbraw/zinc/98/75/57/1020987557.db2.gz	QAZRGAMBGLAWHN-NUYITTKVSA-N	1	0	310.354	-0.464	20	5		DBBDRO
O=C(C[NH+]1CCCC1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001583311128	1020987820	/nfs/dbraw/zinc/98/78/20/1020987820.db2.gz	QAZRGAMBGLAWHN-JZIZGNRHSA-N	1	0	310.354	-0.464	20	5		DBBDRO
O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12	ZINC001560096945	1023998659	/nfs/dbraw/zinc/99/86/59/1023998659.db2.gz	LHVZCCHDSRIADI-CYZMBNFOSA-N	1	0	323.353	-0.247	20	5		DBBDRO
O=C(N[C@H]1CC[C@H]([NH2+]CCOCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001568103615	1024863602	/nfs/dbraw/zinc/86/36/02/1024863602.db2.gz	YNTNHSPFYYNNPS-FDYHWXHSSA-N	1	0	315.370	-0.323	20	5		DBBDRO
CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001570674427	1025700179	/nfs/dbraw/zinc/70/01/79/1025700179.db2.gz	YJKSPYDFFRPSMN-NXEZZACHSA-N	1	0	300.359	-0.528	20	5		DBBDRO