smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc([N+](=O)[O-])c(C(=O)NCC2CN(S(C)(=O)=O)C2)n1	ZINC001128368478	916141512	/nfs/dbraw/zinc/14/15/12/916141512.db2.gz	XGPCOPGLDMYTLD-UHFFFAOYSA-N	0	0	317.327	-1.051	20	5		DABDRN
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(=O)n(C)[nH]1	ZINC001317480038	916307957	/nfs/dbraw/zinc/30/79/57/916307957.db2.gz	NPHIZBUKEWJMKT-RKDXNWHRSA-N	0	0	312.330	-1.288	20	5		DABDRN
O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1C(=O)CNC1=O	ZINC001318560594	916402622	/nfs/dbraw/zinc/40/26/22/916402622.db2.gz	MVQFKYPXXAQHSX-UHFFFAOYSA-N	0	0	310.270	-1.151	20	5		DABDRN
NC(=O)CN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC001318562015	916403398	/nfs/dbraw/zinc/40/33/98/916403398.db2.gz	XXOZNPAUXXZQCM-SECBINFHSA-N	0	0	310.314	-1.143	20	5		DABDRN
O=C1NC(=O)N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12	ZINC001319676589	916446345	/nfs/dbraw/zinc/44/63/45/916446345.db2.gz	ZDRKMQLDKMVTBR-VHSXEESVSA-N	0	0	324.297	-1.612	20	5		DABDRN
Cn1ncc([N+](=O)[O-])c1C(=O)NCCCNS(C)(=O)=O	ZINC001319648376	916447281	/nfs/dbraw/zinc/44/72/81/916447281.db2.gz	YKIOMPCKIXFYCG-UHFFFAOYSA-N	0	0	305.316	-1.003	20	5		DABDRN
CCNS(=O)(=O)CCNC(=O)c1c([N+](=O)[O-])cnn1C	ZINC001319757196	916449074	/nfs/dbraw/zinc/44/90/74/916449074.db2.gz	YFRVMDIVJUXYNK-UHFFFAOYSA-N	0	0	305.316	-1.003	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1	ZINC001320028293	916464397	/nfs/dbraw/zinc/46/43/97/916464397.db2.gz	SOVVOOLCEQBPFI-ZETCQYMHSA-N	0	0	308.254	-1.296	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC001320015518	916465528	/nfs/dbraw/zinc/46/55/28/916465528.db2.gz	ICTOZVSMHMFEEQ-MRVPVSSYSA-N	0	0	308.254	-1.446	20	5		DABDRN
CNC(=O)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001320254311	916486572	/nfs/dbraw/zinc/48/65/72/916486572.db2.gz	HXFLXKRRSHJMPS-GHMZBOCLSA-N	0	0	313.314	-1.401	20	5		DABDRN
CNC(=O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC001320397342	916507775	/nfs/dbraw/zinc/50/77/75/916507775.db2.gz	CVPDTHQEDFXGQU-UHFFFAOYSA-N	0	0	310.314	-1.168	20	5		DABDRN
O=[N+]([O-])c1cccnc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1	ZINC001327034980	916983022	/nfs/dbraw/zinc/98/30/22/916983022.db2.gz	FBWRHPDAGXORJT-IONNQARKSA-N	0	0	303.296	-1.037	20	5		DABDRN
O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[C@H](CO)C1	ZINC001327321522	917004138	/nfs/dbraw/zinc/00/41/38/917004138.db2.gz	JGJJGMQRMCYRFB-VIFPVBQESA-N	0	0	311.298	-1.252	20	5		DABDRN
C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001328317918	917076918	/nfs/dbraw/zinc/07/69/18/917076918.db2.gz	QHZXYNQKLYFAJL-MRVPVSSYSA-N	0	0	324.297	-1.446	20	5		DABDRN
C[C@H](O)CN(CCO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001328756098	917109735	/nfs/dbraw/zinc/10/97/35/917109735.db2.gz	NSXVZNAJOBVHOA-ZETCQYMHSA-N	0	0	308.316	-1.308	20	5		DABDRN
NC(=O)C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001328900132	917119424	/nfs/dbraw/zinc/11/94/24/917119424.db2.gz	BZWVUBSDVOURKO-GHMZBOCLSA-N	0	0	313.314	-1.272	20	5		DABDRN
NC(=O)C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC001329223847	917150777	/nfs/dbraw/zinc/15/07/77/917150777.db2.gz	SYZYCUMOBCYROM-JTQLQIEISA-N	0	0	324.293	-1.141	20	5		DABDRN
COC(=O)[C@@](C)(CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001329892743	917209782	/nfs/dbraw/zinc/20/97/82/917209782.db2.gz	QJWMQKVPJZCDJL-GXSJLCMTSA-N	0	0	302.287	-1.334	20	5		DABDRN
CCn1ncn(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1=O	ZINC001330502770	917249557	/nfs/dbraw/zinc/24/95/57/917249557.db2.gz	IZIQUVSTZUVKBZ-UHFFFAOYSA-N	0	0	308.254	-1.095	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](CO)[C@@H](O)C1	ZINC001343721894	917814689	/nfs/dbraw/zinc/81/46/89/917814689.db2.gz	CXONDLRPFXTOBO-KOLCDFICSA-N	0	0	311.294	-1.042	20	5		DABDRN
O=C(NCCCNC(=O)C1CS(=O)(=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001350010121	918046022	/nfs/dbraw/zinc/04/60/22/918046022.db2.gz	UTVUDFMJHYYHQJ-RKDXNWHRSA-N	0	0	319.339	-1.681	20	5		DABDRN
O=c1[nH]ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1[N+](=O)[O-]	ZINC001350475147	918064209	/nfs/dbraw/zinc/06/42/09/918064209.db2.gz	XNAGYIYDHBLPAQ-ZETCQYMHSA-N	0	0	307.266	-1.158	20	5		DABDRN
NC(=O)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)CC1	ZINC001354154236	918167330	/nfs/dbraw/zinc/16/73/30/918167330.db2.gz	CCLSEHNXALILTI-SPFKKGSWSA-N	0	0	322.321	-1.510	20	5		DABDRN
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(=O)NC	ZINC001356051928	918216551	/nfs/dbraw/zinc/21/65/51/918216551.db2.gz	ZUFYOXFEZKZDDM-RKDXNWHRSA-N	0	0	300.315	-1.248	20	5		DABDRN
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CS(C)(=O)=O	ZINC001356050595	918216804	/nfs/dbraw/zinc/21/68/04/918216804.db2.gz	FJNSSMAPEXRDED-RKDXNWHRSA-N	0	0	321.355	-1.339	20	5		DABDRN
CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)C(N)=O)CC1	ZINC001358840105	918357815	/nfs/dbraw/zinc/35/78/15/918357815.db2.gz	RSDFXISQZCUFSU-RKDXNWHRSA-N	0	0	312.326	-1.118	20	5		DABDRN
O=C(CNC(=O)C1CC1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001533393978	929947288	/nfs/dbraw/zinc/94/72/88/929947288.db2.gz	OMMXBTVXZOYMAJ-JLVKAVFRSA-N	0	0	324.337	-1.034	20	5		DABDRN
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001535333235	929992643	/nfs/dbraw/zinc/99/26/43/929992643.db2.gz	ASCIWZIYWQEXRT-RQJHMYQMSA-N	0	0	303.300	-1.264	20	5		DABDRN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC001540414148	930022956	/nfs/dbraw/zinc/02/29/56/930022956.db2.gz	HTQAWHNJCKNOJZ-GMTAPVOTSA-N	0	0	317.367	-1.017	20	5		DABDRN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(CCO)CC1	ZINC001540691421	930024311	/nfs/dbraw/zinc/02/43/11/930024311.db2.gz	OWBVPIDFAMFRSV-UHFFFAOYSA-N	0	0	310.310	-1.107	20	5		DABDRN
CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](CO)C1	ZINC001557710530	930084037	/nfs/dbraw/zinc/08/40/37/930084037.db2.gz	DXGUNEHBFDBPMU-LLVKDONJSA-N	0	0	310.310	-1.109	20	5		DABDRN
COC(=O)CNC(=O)CNC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000537721576	372814271	/nfs/dbraw/zinc/81/42/71/372814271.db2.gz	IPCDIJHDMFLEAV-UHFFFAOYSA-N	0	0	313.270	-1.413	20	5		DABDRN
CNS(=O)(=O)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000611003432	372839215	/nfs/dbraw/zinc/83/92/15/372839215.db2.gz	BMSQLOOUXBHEMZ-SECBINFHSA-N	0	0	317.327	-1.059	20	5		DABDRN
CCn1cc(S(=O)(=O)NCCn2ncnn2)c([N+](=O)[O-])n1	ZINC000339043606	372855425	/nfs/dbraw/zinc/85/54/25/372855425.db2.gz	PRWSWZABHLOVQD-UHFFFAOYSA-N	0	0	316.303	-1.224	20	5		DABDRN
NC(=O)CN(CC(N)=O)C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000263921914	372852964	/nfs/dbraw/zinc/85/29/64/372852964.db2.gz	PDMQKSOJRWDXIQ-UHFFFAOYSA-N	0	0	310.266	-1.227	20	5		DABDRN
NC(=O)CN(CC(N)=O)C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000264181532	372922783	/nfs/dbraw/zinc/92/27/83/372922783.db2.gz	PTHBTKMOWNCANH-UHFFFAOYSA-N	0	0	309.282	-1.194	20	5		DABDRN
CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593528342	372982654	/nfs/dbraw/zinc/98/26/54/372982654.db2.gz	ROSSIBSWBVQBFU-UHFFFAOYSA-N	0	0	324.340	-1.183	20	5		DABDRN
CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593578741	372982861	/nfs/dbraw/zinc/98/28/61/372982861.db2.gz	XLBMXOADWNSUSH-ZETCQYMHSA-N	0	0	304.284	-1.625	20	5		DABDRN
NC(=O)COCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593561699	372983046	/nfs/dbraw/zinc/98/30/46/372983046.db2.gz	CZRJTSALEHUGOF-UHFFFAOYSA-N	0	0	304.284	-1.230	20	5		DABDRN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000598032337	373028464	/nfs/dbraw/zinc/02/84/64/373028464.db2.gz	ZYCARBVJGJXKFO-JGVFFNPUSA-N	0	0	318.311	-1.281	20	5		DABDRN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000598021764	373028696	/nfs/dbraw/zinc/02/86/96/373028696.db2.gz	VNPWBVPJFPURMM-RNFRBKRXSA-N	0	0	304.284	-1.140	20	5		DABDRN
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000598030429	373029547	/nfs/dbraw/zinc/02/95/47/373029547.db2.gz	VKPXKNPWGLEAGR-BDAKNGLRSA-N	0	0	318.311	-1.281	20	5		DABDRN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000598021763	373030061	/nfs/dbraw/zinc/03/00/61/373030061.db2.gz	VNPWBVPJFPURMM-NKWVEPMBSA-N	0	0	304.284	-1.140	20	5		DABDRN
COCCN(CCO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599245160	373037041	/nfs/dbraw/zinc/03/70/41/373037041.db2.gz	QOHBARLIZVPAQF-UHFFFAOYSA-N	0	0	308.316	-1.042	20	5		DABDRN
NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1C[C@H](O)[C@@H](O)C1	ZINC000599127615	373037213	/nfs/dbraw/zinc/03/72/13/373037213.db2.gz	JEYPHRQQIFTWLM-IUCAKERBSA-N	0	0	303.296	-1.216	20	5		DABDRN
C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC(=O)N1	ZINC000599321948	373040857	/nfs/dbraw/zinc/04/08/57/373040857.db2.gz	NFXPAWVJMYXADI-LURJTMIESA-N	0	0	303.300	-1.163	20	5		DABDRN
CS(=O)(=O)NCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000342803699	373126048	/nfs/dbraw/zinc/12/60/48/373126048.db2.gz	DEUVZNQILATRFC-UHFFFAOYSA-N	0	0	318.311	-1.578	20	5		DABDRN
Cc1cc(C(=O)NCC(=O)NC[C@H](O)C(N)=O)ccc1[N+](=O)[O-]	ZINC000619254992	373307400	/nfs/dbraw/zinc/30/74/00/373307400.db2.gz	SEQXRCTWDXUBJO-JTQLQIEISA-N	0	0	324.293	-1.405	20	5		DABDRN
C[C@@H](O)C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000270819369	373439071	/nfs/dbraw/zinc/43/90/71/373439071.db2.gz	DKCWITAVFLSYJT-SECBINFHSA-N	0	0	311.298	-1.157	20	5		DABDRN
CCS(=O)(=O)NCC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000270536011	373440211	/nfs/dbraw/zinc/44/02/11/373440211.db2.gz	OXPUCFGJHVPQAN-UHFFFAOYSA-N	0	0	305.316	-1.153	20	5		DABDRN
O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCNC(=O)C1	ZINC000272667848	373467641	/nfs/dbraw/zinc/46/76/41/373467641.db2.gz	JLPQLEYICWRKFF-UHFFFAOYSA-N	0	0	310.314	-1.271	20	5		DABDRN
CS(=O)(=O)NC1CC(NC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000619778376	373651706	/nfs/dbraw/zinc/65/17/06/373651706.db2.gz	FTNJMBITWATCQE-UHFFFAOYSA-N	0	0	317.327	-1.012	20	5		DABDRN
NC(=O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000018242631	373605609	/nfs/dbraw/zinc/60/56/09/373605609.db2.gz	ONYHGPZJVRVBCX-UHFFFAOYSA-N	0	0	306.234	-1.208	20	5		DABDRN
CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000275956007	373662125	/nfs/dbraw/zinc/66/21/25/373662125.db2.gz	KNXWQPCKPYNEFM-UHFFFAOYSA-N	0	0	304.284	-1.026	20	5		DABDRN
O=[N+]([O-])c1ccc(NC[C@@H](O)CO)nc1NC[C@H](O)CO	ZINC000277765441	373662331	/nfs/dbraw/zinc/66/23/31/373662331.db2.gz	KTFNVVANIQQNIC-SFYZADRCSA-N	0	0	302.287	-1.480	20	5		DABDRN
CNS(=O)(=O)c1ccc(NC[C@@H](O)C(N)=O)c([N+](=O)[O-])c1	ZINC000278788542	373664755	/nfs/dbraw/zinc/66/47/55/373664755.db2.gz	WTZWVVYVRGOQMI-SECBINFHSA-N	0	0	318.311	-1.239	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)N2CC(NS(C)(=O)=O)C2)n1	ZINC000600328235	373686894	/nfs/dbraw/zinc/68/68/94/373686894.db2.gz	ZNVDHNCMHDLCMW-UHFFFAOYSA-N	0	0	303.300	-1.298	20	5		DABDRN
Cc1nc(NC[C@H](O)CO)nc(NC[C@H](O)CO)c1[N+](=O)[O-]	ZINC000275800019	130389164	/nfs/dbraw/zinc/38/91/64/130389164.db2.gz	JZQCPZMEZHWAAJ-YUMQZZPRSA-N	0	0	317.302	-1.777	20	5		DABDRN
CNC(=O)CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000298790196	132077321	/nfs/dbraw/zinc/07/73/21/132077321.db2.gz	YPYKUHKQZDJWSF-UHFFFAOYSA-N	0	0	310.314	-1.319	20	5		DABDRN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)C(N)=O	ZINC000341740447	409385360	/nfs/dbraw/zinc/38/53/60/409385360.db2.gz	CVEGSCYXZALSQW-XVKPBYJWSA-N	0	0	324.293	-1.325	20	5		DABDRN
C[C@@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1	ZINC000360707457	409330150	/nfs/dbraw/zinc/33/01/50/409330150.db2.gz	KOGHTBZZRDGJJK-MRVPVSSYSA-N	0	0	311.298	-1.007	20	5		DABDRN
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](O)[C@@H](O)C1	ZINC000433803410	409337452	/nfs/dbraw/zinc/33/74/52/409337452.db2.gz	DEQDOUILIXEYJJ-IUCAKERBSA-N	0	0	303.296	-1.216	20	5		DABDRN
Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCNC(=O)C1	ZINC000352093256	409681112	/nfs/dbraw/zinc/68/11/12/409681112.db2.gz	NZLJBQDODQJVTA-UHFFFAOYSA-N	0	0	308.298	-1.266	20	5		DABDRN
O=C1NC(=O)N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]12	ZINC000352766404	409681272	/nfs/dbraw/zinc/68/12/72/409681272.db2.gz	CERHGIAJGYLHHU-JTQLQIEISA-N	0	0	321.293	-1.008	20	5		DABDRN
Cn1nc([N+](=O)[O-])cc1C(=O)NCCCNS(C)(=O)=O	ZINC000356481110	409681923	/nfs/dbraw/zinc/68/19/23/409681923.db2.gz	CEEPOYHUMCSRTF-UHFFFAOYSA-N	0	0	305.316	-1.003	20	5		DABDRN
CN1C(=O)C(=O)N(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O	ZINC000493028332	409682335	/nfs/dbraw/zinc/68/23/35/409682335.db2.gz	CTXPAVCTTXFASJ-UHFFFAOYSA-N	0	0	324.253	-1.672	20	5		DABDRN
NC(=O)[C@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000353008132	409682768	/nfs/dbraw/zinc/68/27/68/409682768.db2.gz	YSCMSEICHKPKTK-JTQLQIEISA-N	0	0	320.265	-1.249	20	5		DABDRN
CNC(=O)Cn1cnc(NC(=O)c2ccc([N+](=O)[O-])n2C)n1	ZINC000358942833	409750653	/nfs/dbraw/zinc/75/06/53/409750653.db2.gz	UVSQZMXLYSWGSE-UHFFFAOYSA-N	0	0	307.270	-0.477	20	5		DABDRN
CNc1nccc(C(=O)N[C@H]2CC(=O)N(C)C2=O)c1[N+](=O)[O-]	ZINC000567178978	409754405	/nfs/dbraw/zinc/75/44/05/409754405.db2.gz	VSICFVVZYCSKGS-ZETCQYMHSA-N	0	0	307.266	-0.481	20	5		DABDRN
CNc1nccc(C(=O)NCCc2nnnn2C)c1[N+](=O)[O-]	ZINC000594334101	409755014	/nfs/dbraw/zinc/75/50/14/409755014.db2.gz	FIIOAECSYAUDLS-UHFFFAOYSA-N	0	0	306.286	-0.473	20	5		DABDRN
CN(C)c1nc(N)nc(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000570406256	409803736	/nfs/dbraw/zinc/80/37/36/409803736.db2.gz	XIMORZXSKBXNMC-UHFFFAOYSA-N	0	0	321.301	-0.946	20	5		DABDRN
CNc1nccc(C(=O)NCCc2nc(N)n[nH]2)c1[N+](=O)[O-]	ZINC000597667787	409806516	/nfs/dbraw/zinc/80/65/16/409806516.db2.gz	SJDDMICJDHQFDE-UHFFFAOYSA-N	0	0	306.286	-0.874	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2C(=O)NC[C@H]2C1	ZINC000332692354	262520123	/nfs/dbraw/zinc/52/01/23/262520123.db2.gz	WRORFWPQEUBNPR-JTQLQIEISA-N	0	0	321.293	-1.008	20	5		DABDRN
COc1cc(S(=O)(=O)N[C@@H](CO)C(N)=O)ccc1[N+](=O)[O-]	ZINC000352617177	262560216	/nfs/dbraw/zinc/56/02/16/262560216.db2.gz	MRWZFMSNOXFFEX-ZETCQYMHSA-N	0	0	319.295	-1.272	20	5		DABDRN
Cn1ccc(=O)n(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1=O	ZINC000425273653	262621232	/nfs/dbraw/zinc/62/12/32/262621232.db2.gz	BRQQGQGSJVXWCX-UHFFFAOYSA-N	0	0	322.281	-1.002	20	5		DABDRN
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2C[C@H](O)[C@@H](O)C2)c1	ZINC000433797508	262629379	/nfs/dbraw/zinc/62/93/79/262629379.db2.gz	ARAYQPJSBBYWJA-UWVGGRQHSA-N	0	0	303.296	-1.216	20	5		DABDRN
Cn1ccc(=O)n(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])c1=O	ZINC000516646226	262657869	/nfs/dbraw/zinc/65/78/69/262657869.db2.gz	KKGLFJGXGFGAOE-UHFFFAOYSA-N	0	0	322.281	-1.002	20	5		DABDRN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)C(N)=O	ZINC000341740445	263230661	/nfs/dbraw/zinc/23/06/61/263230661.db2.gz	CVEGSCYXZALSQW-XCBNKYQSSA-N	0	0	324.293	-1.325	20	5		DABDRN
COC(=O)[C@@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000358898358	263232029	/nfs/dbraw/zinc/23/20/29/263232029.db2.gz	FETPGHDQEDALSI-LBPRGKRZSA-N	0	0	313.266	-1.203	20	5		DABDRN
CC(C)NS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000286484224	263242158	/nfs/dbraw/zinc/24/21/58/263242158.db2.gz	LXLXNIZTEDDMDN-UHFFFAOYSA-N	0	0	320.331	-1.120	20	5		DABDRN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(N)=O	ZINC000352630368	263249555	/nfs/dbraw/zinc/24/95/55/263249555.db2.gz	NZZLTJPHYURTQW-SSDOTTSWSA-N	0	0	319.295	-1.272	20	5		DABDRN
CS(=O)(=O)N[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000342381265	263260446	/nfs/dbraw/zinc/26/04/46/263260446.db2.gz	UGAQLFKZWDCWKJ-QMMMGPOBSA-N	0	0	317.327	-1.059	20	5		DABDRN
CNC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1	ZINC000344694957	263287307	/nfs/dbraw/zinc/28/73/07/263287307.db2.gz	SBZOMIRTIFHAAH-UHFFFAOYSA-N	0	0	324.341	-1.010	20	5		DABDRN
CCn1cc(S(=O)(=O)NC[C@@H](O)C(=O)OC)c([N+](=O)[O-])n1	ZINC000352076422	263289823	/nfs/dbraw/zinc/28/98/23/263289823.db2.gz	JKFQCOTVVRMFMG-ZCFIWIBFSA-N	0	0	322.299	-1.377	20	5		DABDRN
COC(=O)[C@H]1CNC(=O)CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000344857954	263305135	/nfs/dbraw/zinc/30/51/35/263305135.db2.gz	GDYMOHRVSCWXEI-SSDOTTSWSA-N	0	0	311.254	-1.709	20	5		DABDRN
COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000344835302	263305475	/nfs/dbraw/zinc/30/54/75/263305475.db2.gz	VNKXTXPGJCDARX-MRVPVSSYSA-N	0	0	323.265	-1.314	20	5		DABDRN
COC(=O)[C@H]1CNC(=O)CN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000447910833	263315241	/nfs/dbraw/zinc/31/52/41/263315241.db2.gz	GHQSRXJFILVAQL-SNVBAGLBSA-N	0	0	324.293	-1.270	20	5		DABDRN
CN(C)S(=O)(=O)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000340842972	263318695	/nfs/dbraw/zinc/31/86/95/263318695.db2.gz	GZGLTZHSNUKZKT-UHFFFAOYSA-N	0	0	320.331	-1.697	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)[C@@H](CO)C2)n1	ZINC001195098260	782056285	/nfs/dbraw/zinc/05/62/85/782056285.db2.gz	OZWGWIKWHWSOMN-MRVPVSSYSA-N	0	0	319.343	-1.375	20	5		DABDRN
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc([N+](=O)[O-])cn1	ZINC000572496255	338448588	/nfs/dbraw/zinc/44/85/88/338448588.db2.gz	GTDCDRZJAQEUGC-RKDXNWHRSA-N	0	0	301.280	-1.123	20	5		DABDRN
NC(=O)[C@]1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCOC1	ZINC000584665134	337379690	/nfs/dbraw/zinc/37/96/90/337379690.db2.gz	AZAGBEYYGQAZEV-JTQLQIEISA-N	0	0	316.295	-1.088	20	5		DABDRN
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COC(=O)[C@@H]1CNC(=O)CN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000447910828	545827172	/nfs/dbraw/zinc/82/71/72/545827172.db2.gz	GHQSRXJFILVAQL-JTQLQIEISA-N	0	0	324.293	-1.270	20	5		DABDRN
Cc1cc(OCC(=O)NC(C(N)=O)C(N)=O)ccc1[N+](=O)[O-]	ZINC000430813995	545827399	/nfs/dbraw/zinc/82/73/99/545827399.db2.gz	HGTZASCGMYDGJG-UHFFFAOYSA-N	0	0	310.266	-1.263	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2C(=O)NC[C@@H]2C1	ZINC000332692355	545829068	/nfs/dbraw/zinc/82/90/68/545829068.db2.gz	WRORFWPQEUBNPR-SNVBAGLBSA-N	0	0	321.293	-1.008	20	5		DABDRN
NS(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000737765970	598499491	/nfs/dbraw/zinc/49/94/91/598499491.db2.gz	RTGFXVIIWMESOO-UHFFFAOYSA-N	0	0	314.287	-1.130	20	5		DABDRN
CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000846052292	663886141	/nfs/dbraw/zinc/88/61/41/663886141.db2.gz	FPJCFJTVJUGXQM-RKDXNWHRSA-N	0	0	306.344	-1.304	20	5		DABDRN
O=C(CN1CN=NC1=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000973190323	662504775	/nfs/dbraw/zinc/50/47/75/662504775.db2.gz	FPVJELNDOYIFQR-FNCVBFRFSA-N	0	0	324.297	-1.588	20	5		DABDRN
O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CC1	ZINC001025776039	662531096	/nfs/dbraw/zinc/53/10/96/662531096.db2.gz	URPYXKCYVZYUJF-HMUNZLOLSA-N	0	0	308.338	-1.023	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O	ZINC001025994085	662540805	/nfs/dbraw/zinc/54/08/05/662540805.db2.gz	NAAFIRKZULENMZ-QMSLJYSESA-N	0	0	308.298	-1.640	20	5		DABDRN
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CC(C)(C(N)=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976492208	662585646	/nfs/dbraw/zinc/58/56/46/662585646.db2.gz	ITJAWEOVQWKTKE-SPFKKGSWSA-N	0	0	324.337	-1.264	20	5		DABDRN
Cn1nnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000979153478	662621457	/nfs/dbraw/zinc/62/14/57/662621457.db2.gz	GMAGNAIFDDEGON-BZNPZCIMSA-N	0	0	323.313	-1.500	20	5		DABDRN
O=C(Cn1cnnn1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000979738509	662627389	/nfs/dbraw/zinc/62/73/89/662627389.db2.gz	KITBYOCRPAOSNT-ZYUZMQFOSA-N	0	0	323.313	-1.651	20	5		DABDRN
O=C(Cn1nccn1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000979755953	662627972	/nfs/dbraw/zinc/62/79/72/662627972.db2.gz	KLKACJXJSRNETJ-GWOFURMSSA-N	0	0	322.325	-1.046	20	5		DABDRN
O=C(CN1CCCC1=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001010255662	662640543	/nfs/dbraw/zinc/64/05/43/662640543.db2.gz	PTZUWTYUDHNPMN-GHMZBOCLSA-N	0	0	324.337	-1.055	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)C(N)=O)C1	ZINC000984725672	662707567	/nfs/dbraw/zinc/70/75/67/662707567.db2.gz	QPDOVFCSCZIDTO-ZKCHVHJHSA-N	0	0	310.314	-1.202	20	5		DABDRN
O=C(CN1CCCC1=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000990188476	662755566	/nfs/dbraw/zinc/75/55/66/662755566.db2.gz	QMWUWUWAGZUMLG-NXEZZACHSA-N	0	0	310.310	-1.399	20	5		DABDRN
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CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000991046601	662791921	/nfs/dbraw/zinc/79/19/21/662791921.db2.gz	WIQMGJWGJGWMJR-GHMZBOCLSA-N	0	0	310.310	-1.543	20	5		DABDRN
CCn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000991183585	663126906	/nfs/dbraw/zinc/12/69/06/663126906.db2.gz	LNHANYZCUXZZSJ-PSASIEDQSA-N	0	0	308.298	-1.096	20	5		DABDRN
Cn1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]c1=O	ZINC000991286493	663133960	/nfs/dbraw/zinc/13/39/60/663133960.db2.gz	BIFYPVLFOSUMQF-HTQZYQBOSA-N	0	0	309.282	-1.269	20	5		DABDRN
Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O	ZINC000991288567	663134036	/nfs/dbraw/zinc/13/40/36/663134036.db2.gz	RMFAQEVQMISCKI-PSASIEDQSA-N	0	0	321.293	-1.614	20	5		DABDRN
Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccc1=O	ZINC000991294463	663134745	/nfs/dbraw/zinc/13/47/45/663134745.db2.gz	FLAWYWASPWCKQR-GHMZBOCLSA-N	0	0	320.305	-1.009	20	5		DABDRN
Cn1cc(OCC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1	ZINC000991295231	663135517	/nfs/dbraw/zinc/13/55/17/663135517.db2.gz	YVKOEJGOQYSTOF-GHMZBOCLSA-N	0	0	323.309	-1.209	20	5		DABDRN
Cn1ccc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000991329163	663145559	/nfs/dbraw/zinc/14/55/59/663145559.db2.gz	TUBLORQAHSVNEM-GHMZBOCLSA-N	0	0	307.310	-1.045	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)Cn2cnnn2)C1	ZINC001030089902	663164263	/nfs/dbraw/zinc/16/42/63/663164263.db2.gz	GFNQMBWHLYBONM-UHFFFAOYSA-N	0	0	321.301	-1.685	20	5		DABDRN
O=C(NC1CN(Cc2nnnn2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001030292638	663175621	/nfs/dbraw/zinc/17/56/21/663175621.db2.gz	PYNWMWIIXIDFFD-NXEZZACHSA-N	0	0	307.314	-1.026	20	5		DABDRN
O=C(NC1CN(CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001030293424	663175825	/nfs/dbraw/zinc/17/58/25/663175825.db2.gz	JWSBFKKUOLEHNT-RKDXNWHRSA-N	0	0	311.298	-1.996	20	5		DABDRN
Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n(C)c1=O	ZINC000994289269	663281546	/nfs/dbraw/zinc/28/15/46/663281546.db2.gz	OMSDXECWUCCUBC-RKDXNWHRSA-N	0	0	323.309	-1.670	20	5		DABDRN
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Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)Cn2cncn2)C1	ZINC001031356548	663285660	/nfs/dbraw/zinc/28/56/60/663285660.db2.gz	DPXUHSRSJJBRRX-UHFFFAOYSA-N	0	0	320.313	-1.080	20	5		DABDRN
CS(=O)(=O)CCN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001031661777	663305794	/nfs/dbraw/zinc/30/57/94/663305794.db2.gz	IJDODZHODQZSRX-NXEZZACHSA-N	0	0	305.356	-1.256	20	5		DABDRN
NC(=O)C1(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC000941013017	663382906	/nfs/dbraw/zinc/38/29/06/663382906.db2.gz	XCDKKGKVGKVXOI-NXEZZACHSA-N	0	0	324.337	-1.022	20	5		DABDRN
Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccc1=O	ZINC000995182640	663407292	/nfs/dbraw/zinc/40/72/92/663407292.db2.gz	AAXMOFMBDDVEJU-GHMZBOCLSA-N	0	0	320.305	-1.009	20	5		DABDRN
NC(=O)C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2	ZINC000944385783	663451664	/nfs/dbraw/zinc/45/16/64/663451664.db2.gz	ZVMSFTWHPSTUNJ-NXEZZACHSA-N	0	0	324.337	-1.022	20	5		DABDRN
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Cc1cnoc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001045676631	678468980	/nfs/dbraw/zinc/46/89/80/678468980.db2.gz	YIEJRJHYGLJTQO-RKDXNWHRSA-N	0	0	324.293	-1.049	20	5		DABDRN
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CC(C)(O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057462012	678719621	/nfs/dbraw/zinc/71/96/21/678719621.db2.gz	NNVDIVJROMAUSK-NXEZZACHSA-N	0	0	317.342	-1.250	20	5		DABDRN
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CC(=O)NCC(=O)N(C)CCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001101476598	782595485	/nfs/dbraw/zinc/59/54/85/782595485.db2.gz	AUPBUCVZKBJMEO-UHFFFAOYSA-N	0	0	311.302	-1.027	20	5		DABDRN
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Cc1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ncc1[N+](=O)[O-]	ZINC001158980769	779786842	/nfs/dbraw/zinc/78/68/42/779786842.db2.gz	QYKPCFVTOVKFJT-VVULQXIFSA-N	0	0	316.270	-2.095	20	5		DABDRN
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COc1nc(N2CCN[C@H](C(N)=O)C2)nc(OC)c1[N+](=O)[O-]	ZINC001166725045	779892249	/nfs/dbraw/zinc/89/22/49/779892249.db2.gz	HQIDKOPRLLFVIF-LURJTMIESA-N	0	0	312.286	-1.335	20	5		DABDRN
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C[N+](C)(C)C[C@H](O)CC(=O)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234376812	780407052	/nfs/dbraw/zinc/40/70/52/780407052.db2.gz	UOQZAOGVPGVILI-ZCFIWIBFSA-O	0	0	314.270	-2.929	20	5		DABDRN
Cn1cc(S(=O)(=O)NCCn2cnc([N+](=O)[O-])n2)cn1	ZINC001252173587	780470288	/nfs/dbraw/zinc/47/02/88/780470288.db2.gz	XTSLPLJKFWDPBN-UHFFFAOYSA-N	0	0	301.288	-1.102	20	5		DABDRN
CCCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001278864203	780499222	/nfs/dbraw/zinc/49/92/22/780499222.db2.gz	TWEYFEIPJDTFJZ-NXEZZACHSA-N	0	0	314.342	-1.659	20	5		DABDRN
CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O	ZINC001261164984	780538659	/nfs/dbraw/zinc/53/86/59/780538659.db2.gz	HVRGPMIIOMXUHX-SECBINFHSA-N	0	0	324.297	-1.746	20	5		DABDRN
O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H](O)C1	ZINC001261538171	780547327	/nfs/dbraw/zinc/54/73/27/780547327.db2.gz	GPXBMUBLONVVKU-SNVBAGLBSA-N	0	0	311.298	-1.109	20	5		DABDRN
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1	ZINC001264254395	780583232	/nfs/dbraw/zinc/58/32/32/780583232.db2.gz	NWHLXRPWBDSVBV-ZETCQYMHSA-N	0	0	303.300	-1.168	20	5		DABDRN
CC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001283005350	780732652	/nfs/dbraw/zinc/73/26/52/780732652.db2.gz	UREUTRIDAODYIF-RKDXNWHRSA-N	0	0	300.315	-1.201	20	5		DABDRN
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH]c(=O)n1C	ZINC001284521809	780825371	/nfs/dbraw/zinc/82/53/71/780825371.db2.gz	LWDOKSWMPOZFEC-HTQZYQBOSA-N	0	0	311.298	-1.021	20	5		DABDRN
CCN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001284602552	780831354	/nfs/dbraw/zinc/83/13/54/780831354.db2.gz	AWKSCBAYNXCSFB-RKDXNWHRSA-N	0	0	321.355	-1.339	20	5		DABDRN
CCN(CCNC(=O)C1(C(N)=O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001284640704	780832423	/nfs/dbraw/zinc/83/24/23/780832423.db2.gz	DYWLXOAHCRMFFP-RKDXNWHRSA-N	0	0	312.326	-1.118	20	5		DABDRN
O=C(Cn1ncnn1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001284734258	780837121	/nfs/dbraw/zinc/83/71/21/780837121.db2.gz	JNFRNEBCGLNRCE-NXEZZACHSA-N	0	0	323.313	-1.555	20	5		DABDRN
Cn1ncc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001285545148	780878090	/nfs/dbraw/zinc/87/80/90/780878090.db2.gz	PJOQEIATHXVEQQ-QTIBKXMGSA-N	0	0	308.298	-1.118	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CCCC(N)=O)C1	ZINC001286010549	780902749	/nfs/dbraw/zinc/90/27/49/780902749.db2.gz	DQSZMJQHGYMZBM-NXEZZACHSA-N	0	0	312.326	-1.024	20	5		DABDRN
CN(C(=O)CCCC(N)=O)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001286020821	780902781	/nfs/dbraw/zinc/90/27/81/780902781.db2.gz	WZVWPPPVQNSLCO-NXEZZACHSA-N	0	0	312.326	-1.024	20	5		DABDRN
NC(=O)NCC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001093132626	781504902	/nfs/dbraw/zinc/50/49/02/781504902.db2.gz	LUDVNBJIJKFWCH-UHFFFAOYSA-N	0	0	324.301	-1.716	20	5		DABDRN
CC(=O)NCC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001093131874	781507199	/nfs/dbraw/zinc/50/71/99/781507199.db2.gz	SJIIQDYUUAAOAE-UHFFFAOYSA-N	0	0	323.313	-1.248	20	5		DABDRN
COC(=O)NCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093491082	781512605	/nfs/dbraw/zinc/51/26/05/781512605.db2.gz	RIKKURHBVJYLDS-UHFFFAOYSA-N	0	0	313.274	-1.149	20	5		DABDRN
O=C(Cn1ncnn1)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-]	ZINC001093889521	781522606	/nfs/dbraw/zinc/52/26/06/781522606.db2.gz	FRBSREPRNRCLDN-UHFFFAOYSA-N	0	0	308.258	-1.090	20	5		DABDRN
Nc1nc(NCCNC(=O)Cn2ncnn2)ncc1[N+](=O)[O-]	ZINC001093890154	781522974	/nfs/dbraw/zinc/52/29/74/781522974.db2.gz	XXCZUCSKEDTWGF-UHFFFAOYSA-N	0	0	308.262	-1.818	20	5		DABDRN
O=C(Cn1ccccc1=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991364285	916093783	/nfs/dbraw/zinc/09/37/83/916093783.db2.gz	WFDZAQZUGLVYEN-GHMZBOCLSA-N	0	0	320.305	-1.160	20	5		DABDRN
COCCCNC(=O)CN(C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001318144763	916371524	/nfs/dbraw/zinc/37/15/24/916371524.db2.gz	GIZAGGZXNBUHDJ-UHFFFAOYSA-N	0	0	314.302	-1.203	20	5		DABDRN
C[C@H](O)C(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001319638054	916446502	/nfs/dbraw/zinc/44/65/02/916446502.db2.gz	GTWWHXFVWHWERR-QMMMGPOBSA-N	0	0	312.286	-1.762	20	5		DABDRN
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Cn1cc(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1	ZINC001321802609	916595759	/nfs/dbraw/zinc/59/57/59/916595759.db2.gz	SUFPBBYKLBKGMU-UHFFFAOYSA-N	0	0	321.297	-1.043	20	5		DABDRN
CN(C)S(=O)(=O)CCNC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001323987731	916763290	/nfs/dbraw/zinc/76/32/90/916763290.db2.gz	JSEFBMAJXHLBEE-UHFFFAOYSA-N	0	0	305.316	-1.051	20	5		DABDRN
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C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001324317425	916775385	/nfs/dbraw/zinc/77/53/85/916775385.db2.gz	RFQWPAQOMQPVJV-QMMMGPOBSA-N	0	0	324.297	-1.746	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCOCC2)n1	ZINC001325908752	916873469	/nfs/dbraw/zinc/87/34/69/916873469.db2.gz	HQIIKLKNCHAZMO-SECBINFHSA-N	0	0	313.314	-1.249	20	5		DABDRN
C[S@](=O)CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001327288357	917002043	/nfs/dbraw/zinc/00/20/43/917002043.db2.gz	MKIROWFIMLLQCG-NRFANRHFSA-N	0	0	317.327	-1.598	20	5		DABDRN
Cn1ncc([N+](=O)[O-])c1C(=O)N(CCO)CCOCCO	ZINC001329146068	917144397	/nfs/dbraw/zinc/14/43/97/917144397.db2.gz	KDQMJIGJPCHFMA-UHFFFAOYSA-N	0	0	302.287	-1.228	20	5		DABDRN
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Cn1cnnc1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001329923166	917211552	/nfs/dbraw/zinc/21/15/52/917211552.db2.gz	CBOOOUBPMBDNKD-UHFFFAOYSA-N	0	0	321.301	-1.336	20	5		DABDRN
CCn1cc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])n1	ZINC001333161782	917428067	/nfs/dbraw/zinc/42/80/67/917428067.db2.gz	FLOKFCBDOILHAC-JGVFFNPUSA-N	0	0	320.327	-1.215	20	5		DABDRN
Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1C(=O)CNC1=O	ZINC001339019153	917711060	/nfs/dbraw/zinc/71/10/60/917711060.db2.gz	BTDZXMZUWODHLL-UHFFFAOYSA-N	0	0	310.270	-1.232	20	5		DABDRN
COC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001348176848	917928705	/nfs/dbraw/zinc/92/87/05/917928705.db2.gz	YXSRRYWPPTXYKM-RKDXNWHRSA-N	0	0	314.298	-1.322	20	5		DABDRN
Cn1ccc(=O)c(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC001348934485	917981029	/nfs/dbraw/zinc/98/10/29/917981029.db2.gz	JYOOREZJEWMYJK-PSASIEDQSA-N	0	0	308.294	-1.104	20	5		DABDRN
O=C(CCn1ccnn1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001349949596	918043379	/nfs/dbraw/zinc/04/33/79/918043379.db2.gz	WEVSXVFQVHAQTB-NXEZZACHSA-N	0	0	310.314	-1.044	20	5		DABDRN
CN1CCN(C(=O)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001350869010	918074841	/nfs/dbraw/zinc/07/48/41/918074841.db2.gz	WFJPEZFXVPYLPZ-UHFFFAOYSA-N	0	0	310.314	-1.319	20	5		DABDRN
CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1nnc[nH]1	ZINC001351466423	918091320	/nfs/dbraw/zinc/09/13/20/918091320.db2.gz	KAPZZORUPQCCHS-RKDXNWHRSA-N	0	0	310.314	-1.023	20	5		DABDRN
COCCOCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001356750560	918239680	/nfs/dbraw/zinc/23/96/80/918239680.db2.gz	RYCSBGLEVYWGMG-NXEZZACHSA-N	0	0	301.299	-1.358	20	5		DABDRN
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COCC(=O)N(C)CC(=O)OCCn1cnc([N+](=O)[O-])n1	ZINC001357598666	918302060	/nfs/dbraw/zinc/30/20/60/918302060.db2.gz	KDGXDGANPGIUPJ-UHFFFAOYSA-N	0	0	301.259	-1.166	20	5		DABDRN
CC(=O)N(C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001358649091	918338151	/nfs/dbraw/zinc/33/81/51/918338151.db2.gz	SVVZFOAXXNULRI-NXEZZACHSA-N	0	0	312.326	-1.105	20	5		DABDRN
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COc1ncc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1	ZINC001522627065	929688156	/nfs/dbraw/zinc/68/81/56/929688156.db2.gz	LTHPDUJNZSCCMW-RKDXNWHRSA-N	0	0	309.282	-1.004	20	5		DABDRN
CC(=O)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001526177902	929758416	/nfs/dbraw/zinc/75/84/16/929758416.db2.gz	DJGFJENMDOBYFY-HMUNZLOLSA-N	0	0	324.337	-1.297	20	5		DABDRN
O=C(Cn1ncnn1)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001529759577	929830713	/nfs/dbraw/zinc/83/07/13/929830713.db2.gz	RVDXIWLCPZLHPP-NXEZZACHSA-N	0	0	323.313	-1.555	20	5		DABDRN
CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CS(C)(=O)=O	ZINC001532909361	929901568	/nfs/dbraw/zinc/90/15/68/929901568.db2.gz	BBTGZXDYPDJROI-RKDXNWHRSA-N	0	0	321.355	-1.387	20	5		DABDRN
O=C(CNC(=O)C1CC1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001533393962	929946717	/nfs/dbraw/zinc/94/67/17/929946717.db2.gz	OMMXBTVXZOYMAJ-COUIAZAYSA-N	0	0	324.337	-1.034	20	5		DABDRN
Cn1cnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC001535241363	929990794	/nfs/dbraw/zinc/99/07/94/929990794.db2.gz	KGFWNHOFIKGCSC-HTQZYQBOSA-N	0	0	308.298	-1.141	20	5		DABDRN
CN1C(=O)[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O	ZINC001535532223	929991990	/nfs/dbraw/zinc/99/19/90/929991990.db2.gz	ZWBFXWNFRKUYDP-DTORHVGOSA-N	0	0	307.266	-1.136	20	5		DABDRN
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN2CCOC[C@@]2(CO)C1	ZINC001558532600	930088181	/nfs/dbraw/zinc/08/81/81/930088181.db2.gz	LCWJTRHZMLTLNL-LBPRGKRZSA-N	0	0	311.298	-1.163	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(CO)(CO)C2)n1	ZINC001561925534	930093390	/nfs/dbraw/zinc/09/33/90/930093390.db2.gz	JKLHFCPRDVNXGS-UHFFFAOYSA-N	0	0	306.300	-1.696	20	5		DABDRN
Nc1nc(N2CCN3C(=O)C(=O)NC[C@H]3C2)ncc1[N+](=O)[O-]	ZINC000267507644	283688763	/nfs/dbraw/zinc/68/87/63/283688763.db2.gz	ORGFAJYDKXDOFJ-LURJTMIESA-N	0	0	307.270	-1.886	20	5		DABDRN
COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000347875505	545775214	/nfs/dbraw/zinc/77/52/14/545775214.db2.gz	FJKPWTCPHNKDMB-HTQZYQBOSA-N	0	0	313.270	-1.025	20	5		DABDRN
COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000347875509	545776302	/nfs/dbraw/zinc/77/63/02/545776302.db2.gz	FJKPWTCPHNKDMB-YUMQZZPRSA-N	0	0	313.270	-1.025	20	5		DABDRN
NS(=O)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000263700810	372851755	/nfs/dbraw/zinc/85/17/55/372851755.db2.gz	KMWKMMPAXIHTKR-UHFFFAOYSA-N	0	0	318.315	-1.861	20	5		DABDRN
Cn1nnnc1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000611315091	372851815	/nfs/dbraw/zinc/85/18/15/372851815.db2.gz	JIJGAIJYXPCIFO-UHFFFAOYSA-N	0	0	309.290	-1.143	20	5		DABDRN
CNC(=O)[C@H](CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000358898157	372865541	/nfs/dbraw/zinc/86/55/41/372865541.db2.gz	ZKRFXXNPIXSSSL-ZETCQYMHSA-N	0	0	303.296	-1.020	20	5		DABDRN
O=C(CO)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000340375739	372862073	/nfs/dbraw/zinc/86/20/73/372862073.db2.gz	ZOZQROKRBOZZAM-LLVKDONJSA-N	0	0	313.314	-1.711	20	5		DABDRN
CN1CC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)S1(=O)=O	ZINC000592611229	372973701	/nfs/dbraw/zinc/97/37/01/372973701.db2.gz	OTUOJIGOEVYTOO-VIFPVBQESA-N	0	0	317.327	-1.059	20	5		DABDRN
CNS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593589593	372983328	/nfs/dbraw/zinc/98/33/28/372983328.db2.gz	VZYVFIFXVUJHFR-UHFFFAOYSA-N	0	0	324.340	-1.183	20	5		DABDRN
Cc1nn(CC(=O)NCCn2cc([N+](=O)[O-])cn2)c(=O)n1C	ZINC000593993374	372987542	/nfs/dbraw/zinc/98/75/42/372987542.db2.gz	OJWNMNAVXIGUHZ-UHFFFAOYSA-N	0	0	309.286	-1.189	20	5		DABDRN
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000598021757	373029680	/nfs/dbraw/zinc/02/96/80/373029680.db2.gz	VNPWBVPJFPURMM-BQBZGAKWSA-N	0	0	304.284	-1.140	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(O)CC[N@H+](C)C2)n1	ZINC000599276744	373039942	/nfs/dbraw/zinc/03/99/42/373039942.db2.gz	BONHWZVATPQOAG-JTQLQIEISA-N	0	0	319.343	-1.327	20	5		DABDRN
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Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1	ZINC001042976517	678358694	/nfs/dbraw/zinc/35/86/94/678358694.db2.gz	FVFIVZPGEKRYLM-PSASIEDQSA-N	0	0	323.309	-1.612	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2cocn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042975549	678358788	/nfs/dbraw/zinc/35/87/88/678358788.db2.gz	NWUDNGRGIPWFQX-VXNVDRBHSA-N	0	0	310.266	-1.357	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2ccc[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042974455	678358801	/nfs/dbraw/zinc/35/88/01/678358801.db2.gz	FWNVWHHKXFUCNE-PSASIEDQSA-N	0	0	308.294	-1.017	20	5		DABDRN
CSCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042974396	678358816	/nfs/dbraw/zinc/35/88/16/678358816.db2.gz	DWUYCAGIJOWHPY-HTQZYQBOSA-N	0	0	303.340	-1.296	20	5		DABDRN
Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1	ZINC001042975811	678358848	/nfs/dbraw/zinc/35/88/48/678358848.db2.gz	SGKXSJMGIRPVGV-NXEZZACHSA-N	0	0	323.309	-1.612	20	5		DABDRN
CC(C)OCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042975090	678358871	/nfs/dbraw/zinc/35/88/71/678358871.db2.gz	IVRGGRFRXVAMFM-NXEZZACHSA-N	0	0	315.326	-1.234	20	5		DABDRN
CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042973944	678358920	/nfs/dbraw/zinc/35/89/20/678358920.db2.gz	BEWCLIOUIUPRIR-RKDXNWHRSA-N	0	0	301.299	-1.622	20	5		DABDRN
Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001042976460	678358944	/nfs/dbraw/zinc/35/89/44/678358944.db2.gz	BSJHXHXXBFDPIL-HTQZYQBOSA-N	0	0	324.297	-2.217	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2cc[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042974410	678359009	/nfs/dbraw/zinc/35/90/09/678359009.db2.gz	FCXDAFBASDBYFV-VXNVDRBHSA-N	0	0	309.282	-1.622	20	5		DABDRN
Cn1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001043879875	678402504	/nfs/dbraw/zinc/40/25/04/678402504.db2.gz	GAQLVXZGOIGCDW-VXNVDRBHSA-N	0	0	324.297	-2.217	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnon1	ZINC001045184557	678448960	/nfs/dbraw/zinc/44/89/60/678448960.db2.gz	LXKRJBNPDXLVOM-HTRCEHHLSA-N	0	0	311.254	-1.962	20	5		DABDRN
Cc1conc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001046559812	678485498	/nfs/dbraw/zinc/48/54/98/678485498.db2.gz	FXTNDILEJPIBQM-RKDXNWHRSA-N	0	0	324.293	-1.049	20	5		DABDRN
CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001055132577	678638277	/nfs/dbraw/zinc/63/82/77/678638277.db2.gz	NNTCOPWOJPNPTN-WRWGMCAJSA-N	0	0	324.337	-1.296	20	5		DABDRN
O=C(NCCN(CCO)C(=O)c1cnccn1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001056833497	678672648	/nfs/dbraw/zinc/67/26/48/678672648.db2.gz	HKSPNVXKFARJHX-MWLCHTKSSA-N	0	0	323.309	-1.308	20	5		DABDRN
NC(=O)NCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001056914021	678678193	/nfs/dbraw/zinc/67/81/93/678678193.db2.gz	YOHVEDVMFKSYFU-HTQZYQBOSA-N	0	0	317.302	-2.743	20	5		DABDRN
O=C(NCCN(CCO)C(=O)c1ccon1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057093609	678690068	/nfs/dbraw/zinc/69/00/68/678690068.db2.gz	KLTLKTXCWMUGPH-PSASIEDQSA-N	0	0	312.282	-1.110	20	5		DABDRN
NC(=O)CC(=O)N1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001057110221	678691430	/nfs/dbraw/zinc/69/14/30/678691430.db2.gz	TYJBIUQDYPUGPN-UHFFFAOYSA-N	0	0	323.313	-1.119	20	5		DABDRN
NC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057543615	678728147	/nfs/dbraw/zinc/72/81/47/678728147.db2.gz	PYVNFTZENWEEBL-HTQZYQBOSA-N	0	0	317.302	-2.743	20	5		DABDRN
CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057543425	678728190	/nfs/dbraw/zinc/72/81/90/678728190.db2.gz	IFCZPPYJCMDPFU-NXEZZACHSA-N	0	0	316.314	-2.275	20	5		DABDRN
O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cn[nH]c1	ZINC001057543405	678728360	/nfs/dbraw/zinc/72/83/60/678728360.db2.gz	HBHLQCNWSMJRBU-NXEZZACHSA-N	0	0	311.298	-1.374	20	5		DABDRN
O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nnc[nH]1	ZINC001057544526	678728382	/nfs/dbraw/zinc/72/83/82/678728382.db2.gz	GDDJMUQAVWJUSR-HTQZYQBOSA-N	0	0	312.286	-1.979	20	5		DABDRN
O=C(NCCN(CCO)C(=O)c1nc[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001058378502	678817449	/nfs/dbraw/zinc/81/74/49/678817449.db2.gz	BQWYZVSUUPBRJP-HTQZYQBOSA-N	0	0	312.286	-1.979	20	5		DABDRN
CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(C(=O)C(N)=O)CC1	ZINC001068719591	678835767	/nfs/dbraw/zinc/83/57/67/678835767.db2.gz	ONAFDYCCMUUJKS-UHFFFAOYSA-N	0	0	323.313	-1.121	20	5		DABDRN
CN(C(=O)C(C)(C)C(N)=O)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001299368074	782291054	/nfs/dbraw/zinc/29/10/54/782291054.db2.gz	NYIJZWHKBMMJFG-RKDXNWHRSA-N	0	0	312.326	-1.168	20	5		DABDRN
CN(CCNC(=O)Cn1cnnn1)c1cc[nH]c(=O)c1[N+](=O)[O-]	ZINC001099921950	782513340	/nfs/dbraw/zinc/51/33/40/782513340.db2.gz	NRWJQUTVYDAXEY-UHFFFAOYSA-N	0	0	322.285	-1.066	20	5		DABDRN
CNC(=O)CC(=O)N(C)CCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001101556441	782597142	/nfs/dbraw/zinc/59/71/42/782597142.db2.gz	OGDOIWWWNWOTGB-UHFFFAOYSA-N	0	0	311.302	-1.027	20	5		DABDRN
CCCN(CCNC(=O)C(N)=O)c1ncc([N+](=O)[O-])c(N)n1	ZINC001101227393	782593598	/nfs/dbraw/zinc/59/35/98/782593598.db2.gz	KIDNORGECBOBMT-UHFFFAOYSA-N	0	0	311.302	-1.215	20	5		DABDRN
NC(=O)C(=O)NCC1(Nc2ncc([N+](=O)[O-])c(N)n2)CCC1	ZINC001111899549	782634509	/nfs/dbraw/zinc/63/45/09/782634509.db2.gz	HXQSFBCJALRKNB-UHFFFAOYSA-N	0	0	309.286	-1.097	20	5		DABDRN
COC[C@](C)(NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)OC	ZINC001116248373	782659573	/nfs/dbraw/zinc/65/95/73/782659573.db2.gz	QTRPXYNNBIKXFR-JTQLQIEISA-N	0	0	301.259	-1.119	20	5		DABDRN
COCC(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001115876964	782654984	/nfs/dbraw/zinc/65/49/84/782654984.db2.gz	RTDQEVXTHLXBLB-UHFFFAOYSA-N	0	0	312.286	-1.497	20	5		DABDRN
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)N1	ZINC001118244025	782709131	/nfs/dbraw/zinc/70/91/31/782709131.db2.gz	JPMVOQLQDADHTK-MRVPVSSYSA-N	0	0	303.300	-1.401	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O	ZINC001266900011	775186555	/nfs/dbraw/zinc/18/65/55/775186555.db2.gz	IKPKLUHMGYCKDK-JDICNCQASA-N	0	0	322.325	-1.250	20	5		DABDRN
CCNC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001267645447	775260283	/nfs/dbraw/zinc/26/02/83/775260283.db2.gz	YBOROEYBJUEGJR-RKDXNWHRSA-N	0	0	313.314	-1.702	20	5		DABDRN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(CNCCO)nn2)C1	ZINC001105235349	775295487	/nfs/dbraw/zinc/29/54/87/775295487.db2.gz	ARWDZTIMBVHTBA-GHMZBOCLSA-N	0	0	310.314	-1.592	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CN1CN=NC1=O	ZINC001126021828	775320609	/nfs/dbraw/zinc/32/06/09/775320609.db2.gz	QLZQDHUHHHXLLM-UHFFFAOYSA-N	0	0	324.301	-1.469	20	5		DABDRN
NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O	ZINC001168041132	775548849	/nfs/dbraw/zinc/54/88/49/775548849.db2.gz	NRZVFCDXESRVOM-KBHCAIDQSA-N	0	0	312.282	-1.397	20	5		DABDRN
NC(=O)c1ccnc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1[N+](=O)[O-]	ZINC001168046376	775551144	/nfs/dbraw/zinc/55/11/44/775551144.db2.gz	CIDNYCQTHVLXEM-PXMQNUKVSA-N	0	0	312.282	-1.397	20	5		DABDRN
Cc1noc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001271281859	775564246	/nfs/dbraw/zinc/56/42/46/775564246.db2.gz	JUQUPEANXCDISY-RKDXNWHRSA-N	0	0	311.298	-1.294	20	5		DABDRN
O=C(NCC1(O)CN(CCOCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001271282020	775564823	/nfs/dbraw/zinc/56/48/23/775564823.db2.gz	PLSCTMMXRKLSMG-NXEZZACHSA-N	0	0	303.315	-2.177	20	5		DABDRN
NC(=O)NCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1	ZINC001107069552	775838785	/nfs/dbraw/zinc/83/87/85/775838785.db2.gz	HCHOCCLWLXZVOY-OWOJBTEDSA-N	0	0	324.301	-1.280	20	5		DABDRN
O=[N+]([O-])c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1	ZINC001169969213	776310615	/nfs/dbraw/zinc/31/06/15/776310615.db2.gz	BXKDGKCIQYVHSF-NENRSDFPSA-N	0	0	301.255	-1.798	20	5		DABDRN
O=[N+]([O-])c1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nc1	ZINC001169969370	776310776	/nfs/dbraw/zinc/31/07/76/776310776.db2.gz	GMDLZOSSLHHIDL-OKNNCHMLSA-N	0	0	302.243	-2.403	20	5		DABDRN
Cc1cnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC001169975013	776323929	/nfs/dbraw/zinc/32/39/29/776323929.db2.gz	DEZAHLGSVBKCSA-YNVCDSSISA-N	0	0	315.282	-1.490	20	5		DABDRN
COC(=O)c1cnc(NC(CO)(CO)CO)c([N+](=O)[O-])c1	ZINC001157149825	776353483	/nfs/dbraw/zinc/35/34/83/776353483.db2.gz	ZESWLSJONJMQJL-UHFFFAOYSA-N	0	0	301.255	-1.096	20	5		DABDRN
COc1nc(NC(CO)(CO)CO)nc(OC)c1[N+](=O)[O-]	ZINC001157152711	776355419	/nfs/dbraw/zinc/35/54/19/776355419.db2.gz	OGRZPWIGEFFSSE-UHFFFAOYSA-N	0	0	304.259	-1.470	20	5		DABDRN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001130800888	776534017	/nfs/dbraw/zinc/53/40/17/776534017.db2.gz	CTXLOLFORCSKBQ-POYBYMJQSA-N	0	0	318.311	-1.130	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C1(C(N)=O)CC1	ZINC001133185150	776659366	/nfs/dbraw/zinc/65/93/66/776659366.db2.gz	WJMSYWWVNPBORU-UHFFFAOYSA-N	0	0	310.314	-1.200	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cnn(C)n1	ZINC001135283017	776747444	/nfs/dbraw/zinc/74/74/44/776747444.db2.gz	GAVQAJINJRTRAK-UHFFFAOYSA-N	0	0	308.302	-1.024	20	5		DABDRN
COC(=O)CNC(=O)CNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001170945599	776784519	/nfs/dbraw/zinc/78/45/19/776784519.db2.gz	LLROHSLIKSLRQH-UHFFFAOYSA-N	0	0	311.254	-1.210	20	5		DABDRN
CCS(=O)(=O)CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297047807	778034927	/nfs/dbraw/zinc/03/49/27/778034927.db2.gz	WQBAROYRJMMRDT-RKDXNWHRSA-N	0	0	319.339	-1.587	20	5		DABDRN
CCC(=O)NCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297201776	778041869	/nfs/dbraw/zinc/04/18/69/778041869.db2.gz	ZBXQSSMINYCHBY-NXEZZACHSA-N	0	0	312.326	-1.248	20	5		DABDRN
CN1CCN(C(=O)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001305896091	778100422	/nfs/dbraw/zinc/10/04/22/778100422.db2.gz	OASYOTDHIKQHGV-UHFFFAOYSA-N	0	0	311.302	-1.924	20	5		DABDRN
Cn1c2nc([N+](=O)[O-])n(CC(=O)N3CCC3)c2c(=O)[nH]c1=O	ZINC001307412433	778102120	/nfs/dbraw/zinc/10/21/20/778102120.db2.gz	RPDYMOPQVSTIBJ-UHFFFAOYSA-N	0	0	308.254	-1.024	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)Cn1cncn1	ZINC001150250047	779652002	/nfs/dbraw/zinc/65/20/02/779652002.db2.gz	NAPNGWUQZOAXHZ-UHFFFAOYSA-N	0	0	308.302	-1.174	20	5		DABDRN
O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1	ZINC001158970502	779783373	/nfs/dbraw/zinc/78/33/73/779783373.db2.gz	YVCVGSXMBQWUMA-QVDPWDGTSA-N	0	0	317.254	-2.560	20	5		DABDRN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(C1)NC(=O)NC2=O	ZINC001159370768	779792754	/nfs/dbraw/zinc/79/27/54/779792754.db2.gz	QKIUWGOSHFEWIC-UHFFFAOYSA-N	0	0	322.281	-1.090	20	5		DABDRN
N[C@@H]1NCN(c2nc(Cl)ncc2[N+](=O)[O-])[C@@H]2NCN[C@@H]21	ZINC001162436105	779851752	/nfs/dbraw/zinc/85/17/52/779851752.db2.gz	HVBXNYAGDNRAJA-JKMUOGBPSA-N	0	0	300.710	-1.465	20	5		DABDRN
N[C@@H]1NCN(c2nc(Cl)ncc2[N+](=O)[O-])[C@H]2NCN[C@H]21	ZINC001162436107	779853295	/nfs/dbraw/zinc/85/32/95/779853295.db2.gz	HVBXNYAGDNRAJA-SHYZEUOFSA-N	0	0	300.710	-1.465	20	5		DABDRN
Cc1nc(Cl)nc(N2CN[C@H](N)[C@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162437580	779853598	/nfs/dbraw/zinc/85/35/98/779853598.db2.gz	VFPSMIHZWABPAU-DTLFHODZSA-N	0	0	314.737	-1.156	20	5		DABDRN
N[C@@H]1NCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2NCN[C@@H]21	ZINC001162439717	779855475	/nfs/dbraw/zinc/85/54/75/779855475.db2.gz	ODFIXXZJHKTULI-IJLUTSLNSA-N	0	0	304.314	-1.032	20	5		DABDRN
O=C(CO[C@H]1CO[C@H]2OCC[C@@H]12)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224800661	780323745	/nfs/dbraw/zinc/32/37/45/780323745.db2.gz	UARFQAVVEOUUEZ-OYNCUSHFSA-N	0	0	317.254	-1.144	20	5		DABDRN
COC(=O)CN(C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001254057782	780479903	/nfs/dbraw/zinc/47/99/03/780479903.db2.gz	ZMAFSEKZYNHHAP-UHFFFAOYSA-N	0	0	300.275	-1.593	20	5		DABDRN
Cn1ccnc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001279710759	780625617	/nfs/dbraw/zinc/62/56/17/780625617.db2.gz	CEYFJZYRZKPMFQ-GHMZBOCLSA-N	0	0	311.342	-1.004	20	5		DABDRN
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Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCO2)n1	ZINC000599100706	373034593	/nfs/dbraw/zinc/03/45/93/373034593.db2.gz	MAAGCNOYJRIEDA-ZETCQYMHSA-N	0	0	305.316	-1.405	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(CCO)CC2)n1	ZINC000599207512	373036537	/nfs/dbraw/zinc/03/65/37/373036537.db2.gz	OUVYZYBAZGLSMI-UHFFFAOYSA-N	0	0	319.343	-1.373	20	5		DABDRN
Cc1nn(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-]	ZINC000294188171	373249470	/nfs/dbraw/zinc/24/94/70/373249470.db2.gz	KTVPKTZMZKDOEJ-UHFFFAOYSA-N	0	0	322.281	-1.038	20	5		DABDRN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)C(N)=O	ZINC000619255453	373307440	/nfs/dbraw/zinc/30/74/40/373307440.db2.gz	ZUMWQMBXJZCPJY-OIBJUYFYSA-N	0	0	324.293	-1.325	20	5		DABDRN
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000577076349	373373899	/nfs/dbraw/zinc/37/38/99/373373899.db2.gz	QHCVCHUBAZHYEI-HTRCEHHLSA-N	0	0	317.279	-1.417	20	5		DABDRN
COC(=O)CN(CC(=O)OC)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000066235988	373393380	/nfs/dbraw/zinc/39/33/80/373393380.db2.gz	KFGXQTGAZAJKHA-UHFFFAOYSA-N	0	0	314.254	-1.034	20	5		DABDRN
O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCO	ZINC000272093884	373441710	/nfs/dbraw/zinc/44/17/10/373441710.db2.gz	JYJXALQXPBYORL-UHFFFAOYSA-N	0	0	303.296	-1.018	20	5		DABDRN
CS(=O)(=O)NC1CC(NC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000619778549	373651604	/nfs/dbraw/zinc/65/16/04/373651604.db2.gz	IHZRNOKBTOLBDW-UHFFFAOYSA-N	0	0	317.327	-1.012	20	5		DABDRN
CNS(=O)(=O)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000275940605	373662244	/nfs/dbraw/zinc/66/22/44/373662244.db2.gz	XMUMDLNGYUFPKF-UHFFFAOYSA-N	0	0	304.284	-1.026	20	5		DABDRN
COCCN1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000282396331	373666707	/nfs/dbraw/zinc/66/67/07/373666707.db2.gz	DZNARZOXPVOVFY-NSHDSACASA-N	0	0	313.314	-1.100	20	5		DABDRN
CS(=O)(=O)NC1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000600327656	373686874	/nfs/dbraw/zinc/68/68/74/373686874.db2.gz	URUASXNVIAISJQ-UHFFFAOYSA-N	0	0	303.300	-1.449	20	5		DABDRN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(NS(C)(=O)=O)C1	ZINC000600324045	373687085	/nfs/dbraw/zinc/68/70/85/373687085.db2.gz	BGDGWIGYGROQTL-UHFFFAOYSA-N	0	0	303.300	-1.298	20	5		DABDRN
CN(C)S(=O)(=O)NCCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000340851854	269709089	/nfs/dbraw/zinc/70/90/89/269709089.db2.gz	UQMIMCDAPKJMOG-UHFFFAOYSA-N	0	0	320.331	-1.697	20	5		DABDRN
Cn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])cn2)c(=O)n(C)c1=O	ZINC000074061492	184954217	/nfs/dbraw/zinc/95/42/17/184954217.db2.gz	XWVXTTHKBXRMOE-UHFFFAOYSA-N	0	0	308.254	-1.346	20	5		DABDRN
NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCNC(=O)C1	ZINC000273004323	130081467	/nfs/dbraw/zinc/08/14/67/130081467.db2.gz	ROQGZRSTKIFHIE-UHFFFAOYSA-N	0	0	308.298	-1.068	20	5		DABDRN
Cc1nc(NC[C@@H](O)CO)nc(NC[C@@H](O)CO)c1[N+](=O)[O-]	ZINC000275800005	130389061	/nfs/dbraw/zinc/38/90/61/130389061.db2.gz	JZQCPZMEZHWAAJ-HTQZYQBOSA-N	0	0	317.302	-1.777	20	5		DABDRN
COC(=O)c1cn(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)nn1	ZINC000286732138	131248045	/nfs/dbraw/zinc/24/80/45/131248045.db2.gz	GVKJBTYSRWUXFV-UHFFFAOYSA-N	0	0	323.269	-1.014	20	5		DABDRN
NS(=O)(=O)c1cccc(N2C[C@@H](O)[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000433820368	409337370	/nfs/dbraw/zinc/33/73/70/409337370.db2.gz	MGYJFDYNNOFPQP-OCAPTIKFSA-N	0	0	303.296	-1.216	20	5		DABDRN
Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O	ZINC000361853169	409338043	/nfs/dbraw/zinc/33/80/43/409338043.db2.gz	FEOSQJUWNUMMFX-UHFFFAOYSA-N	0	0	308.254	-1.022	20	5		DABDRN
NS(=O)(=O)c1cccc(N2C[C@H](O)[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000433820369	409338673	/nfs/dbraw/zinc/33/86/73/409338673.db2.gz	MGYJFDYNNOFPQP-YUMQZZPRSA-N	0	0	303.296	-1.216	20	5		DABDRN
CN1CC(=O)N(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O	ZINC000492752442	409681468	/nfs/dbraw/zinc/68/14/68/409681468.db2.gz	VZNKHURGGODNHJ-UHFFFAOYSA-N	0	0	310.270	-1.199	20	5		DABDRN
COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000352044690	409682855	/nfs/dbraw/zinc/68/28/55/409682855.db2.gz	JYTSDYHUUQFUDL-VWYCJHECSA-N	0	0	314.298	-1.240	20	5		DABDRN
CNc1nccc(C(=O)N[C@@H]2CCC(=O)NC2=O)c1[N+](=O)[O-]	ZINC000575204551	409753994	/nfs/dbraw/zinc/75/39/94/409753994.db2.gz	LSNJRMCHPYJEPF-SSDOTTSWSA-N	0	0	307.266	-0.434	20	5		DABDRN
CNc1nccc(C(=O)NCCN2CCNC(=O)C2)c1[N+](=O)[O-]	ZINC000566451067	409755204	/nfs/dbraw/zinc/75/52/04/409755204.db2.gz	OHANBERFCBWYQQ-UHFFFAOYSA-N	0	0	322.325	-0.807	20	5		DABDRN
CNc1nccc(C(=O)NCCS(=O)(=O)NC)c1[N+](=O)[O-]	ZINC000572056905	409755351	/nfs/dbraw/zinc/75/53/51/409755351.db2.gz	DALQAQFEOLTIMV-UHFFFAOYSA-N	0	0	317.327	-0.690	20	5		DABDRN
Nc1nc(N2CCC[C@@]3(C2)NC(=O)NC3=O)ncc1[N+](=O)[O-]	ZINC000432935965	409808520	/nfs/dbraw/zinc/80/85/20/409808520.db2.gz	FUNOWOHGDYFBSX-NSHDSACASA-N	0	0	307.270	-0.855	20	5		DABDRN
NC(=O)[C@H]1CCCN1C(=O)NC(=O)Cn1nccc1[N+](=O)[O-]	ZINC000428268279	262624796	/nfs/dbraw/zinc/62/47/96/262624796.db2.gz	LHFATAMOROVUPC-SSDOTTSWSA-N	0	0	310.270	-1.023	20	5		DABDRN
COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000344918966	263218280	/nfs/dbraw/zinc/21/82/80/263218280.db2.gz	YCLCBOQTJGQLFR-QMMMGPOBSA-N	0	0	324.249	-1.191	20	5		DABDRN
CC(C)N1C(=O)C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1=O	ZINC000443583472	263226634	/nfs/dbraw/zinc/22/66/34/263226634.db2.gz	QTYDNFKDYQQHCG-ZETCQYMHSA-N	0	0	310.270	-1.162	20	5		DABDRN
Cc1ncc([N+](=O)[O-])n1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000346606368	263253849	/nfs/dbraw/zinc/25/38/49/263253849.db2.gz	IJBCCISMYVUQJW-UHFFFAOYSA-N	0	0	322.281	-1.038	20	5		DABDRN
CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000222180171	263257695	/nfs/dbraw/zinc/25/76/95/263257695.db2.gz	GTQXUIAMSAHQGK-UHFFFAOYSA-N	0	0	303.300	-1.149	20	5		DABDRN
O=C1[C@@H]2CNC(=O)CN2C(=O)N1CCn1cc([N+](=O)[O-])cn1	ZINC000348602679	263264325	/nfs/dbraw/zinc/26/43/25/263264325.db2.gz	FNIRRZFPYCQSTB-QMMMGPOBSA-N	0	0	308.254	-1.446	20	5		DABDRN
COC(=O)[C@@H]1C[C@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000352044687	263265353	/nfs/dbraw/zinc/26/53/53/263265353.db2.gz	JYTSDYHUUQFUDL-AXFHLTTASA-N	0	0	314.298	-1.240	20	5		DABDRN
COC(=O)c1cc(C(=O)N[C@H](CO)C(N)=O)cc([N+](=O)[O-])c1	ZINC000341748498	263290856	/nfs/dbraw/zinc/29/08/56/263290856.db2.gz	RGOQFDCBKLIKRL-SECBINFHSA-N	0	0	311.250	-1.043	20	5		DABDRN
COC(=O)C[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000345744613	263293672	/nfs/dbraw/zinc/29/36/72/263293672.db2.gz	CYONWYWHCQXHPE-QMMMGPOBSA-N	0	0	313.270	-1.023	20	5		DABDRN
NC(=O)[C@@H]1CCCN1C(=O)NC(=O)Cn1nccc1[N+](=O)[O-]	ZINC000428268282	263302434	/nfs/dbraw/zinc/30/24/34/263302434.db2.gz	LHFATAMOROVUPC-ZETCQYMHSA-N	0	0	310.270	-1.023	20	5		DABDRN
COC[C@@H](C(N)=O)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000354604417	263315980	/nfs/dbraw/zinc/31/59/80/263315980.db2.gz	VLGZQHIFDFXOBO-VIFPVBQESA-N	0	0	312.282	-1.285	20	5		DABDRN
CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000357504439	263316630	/nfs/dbraw/zinc/31/66/30/263316630.db2.gz	DCASQNLNVBJCTA-SECBINFHSA-N	0	0	303.296	-1.020	20	5		DABDRN
COc1ccc(S(=O)(=O)N[C@H](CO)C(N)=O)cc1[N+](=O)[O-]	ZINC000352604326	263318344	/nfs/dbraw/zinc/31/83/44/263318344.db2.gz	VXQVDPXZOXRHTP-SSDOTTSWSA-N	0	0	319.295	-1.272	20	5		DABDRN
COc1ccc(C(=O)NCC(=O)NCC(N)=O)cc1[N+](=O)[O-]	ZINC000351079376	263318824	/nfs/dbraw/zinc/31/88/24/263318824.db2.gz	PQUGWEINUCWWIM-UHFFFAOYSA-N	0	0	310.266	-1.065	20	5		DABDRN
CS(=O)(=O)N1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000583384844	332377840	/nfs/dbraw/zinc/37/78/40/332377840.db2.gz	JRYJXBOVAFXPMC-MRVPVSSYSA-N	0	0	317.327	-1.059	20	5		DABDRN
CN1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1	ZINC000547777106	341232055	/nfs/dbraw/zinc/23/20/55/341232055.db2.gz	QCEYXYGMPAEEEJ-JTQLQIEISA-N	0	0	321.293	-1.214	20	5		DABDRN
CN1C(=O)C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O	ZINC000555556196	341485099	/nfs/dbraw/zinc/48/50/99/341485099.db2.gz	LZNGLSPADULJLG-MRVPVSSYSA-N	0	0	308.250	-1.370	20	5		DABDRN
CCn1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c([N+](=O)[O-])n1	ZINC000565235372	341520976	/nfs/dbraw/zinc/52/09/76/341520976.db2.gz	OYHJMPAGHKWAJA-RNFRBKRXSA-N	0	0	306.300	-1.151	20	5		DABDRN
CCc1n[nH]c(C(=O)NCC(=O)NCC(=O)OC)c1[N+](=O)[O-]	ZINC000568651748	341677718	/nfs/dbraw/zinc/67/77/18/341677718.db2.gz	IBOAOYSQVGCLKF-UHFFFAOYSA-N	0	0	313.270	-1.101	20	5		DABDRN
CN(CC(=O)N(CC(N)=O)CC(N)=O)c1ccccc1[N+](=O)[O-]	ZINC000266278075	522426012	/nfs/dbraw/zinc/42/60/12/522426012.db2.gz	JQYDBUWGKVXSDN-UHFFFAOYSA-N	0	0	323.309	-1.170	20	5		DABDRN
O=C1NC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CCN2C1=O	ZINC000152793318	527073792	/nfs/dbraw/zinc/07/37/92/527073792.db2.gz	YIPFGPLJNUIGDP-SECBINFHSA-N	0	0	308.298	-1.566	20	5		DABDRN
NS(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000264642549	527296878	/nfs/dbraw/zinc/29/68/78/527296878.db2.gz	DTPGGPCANZEPQO-UHFFFAOYSA-N	0	0	318.315	-1.861	20	5		DABDRN
O=C(Cn1cnc([N+](=O)[O-])n1)N(C1CC1)[C@H]1CC(=O)NC1=O	ZINC000339227483	527397337	/nfs/dbraw/zinc/39/73/37/527397337.db2.gz	WNCBVCCYMNFNJY-ZETCQYMHSA-N	0	0	308.254	-1.408	20	5		DABDRN
Nc1nc(N2CCN(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-]	ZINC000263939567	527556791	/nfs/dbraw/zinc/55/67/91/527556791.db2.gz	DPAVZMKGHJYUFQ-UHFFFAOYSA-N	0	0	303.304	-1.708	20	5		DABDRN
Cc1nn(C)c(N2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-]	ZINC000265145935	527675533	/nfs/dbraw/zinc/67/55/33/527675533.db2.gz	RLBNYXMCOXCTEW-UHFFFAOYSA-N	0	0	304.332	-1.038	20	5		DABDRN
Cc1nn(C)c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000267511531	527676104	/nfs/dbraw/zinc/67/61/04/527676104.db2.gz	QUTDUSPEJPIBBY-MRVPVSSYSA-N	0	0	308.298	-1.216	20	5		DABDRN
Cc1nc(N(C)CC(N)=O)nc(N(C)CC(N)=O)c1[N+](=O)[O-]	ZINC000428112609	545823972	/nfs/dbraw/zinc/82/39/72/545823972.db2.gz	NSBYFOMWTHSNDE-UHFFFAOYSA-N	0	0	311.302	-1.464	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)n2ncc(-c3nn[nH]n3)c2N)n1	ZINC000826362657	608279172	/nfs/dbraw/zinc/27/91/72/608279172.db2.gz	CHKSUJKRHDAZMD-UHFFFAOYSA-N	0	0	304.230	-1.024	20	5		DABDRN
CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000757724842	663806719	/nfs/dbraw/zinc/80/67/19/663806719.db2.gz	IMDXFRDHPGEZQY-QMMMGPOBSA-N	0	0	303.296	-1.020	20	5		DABDRN
CS(=O)(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000863552023	663925103	/nfs/dbraw/zinc/92/51/03/663925103.db2.gz	OMMCHTFVCUCRLX-DJLDLDEBSA-N	0	0	307.328	-1.572	20	5		DABDRN
CS(=O)(=O)CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025776117	662531343	/nfs/dbraw/zinc/53/13/43/662531343.db2.gz	ZADHLNUAYXKHKA-NZFPMDFQSA-N	0	0	317.367	-1.257	20	5		DABDRN
O=C(Cn1ncnn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000974110043	662550631	/nfs/dbraw/zinc/55/06/31/662550631.db2.gz	PANGPYKSXYNVCQ-BZNPZCIMSA-N	0	0	309.286	-1.898	20	5		DABDRN
O=C(Cn1cncn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000974111421	662551222	/nfs/dbraw/zinc/55/12/22/662551222.db2.gz	OCKQTXYBSLIOLI-UTINFBMNSA-N	0	0	308.298	-1.293	20	5		DABDRN
Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000974115996	662551229	/nfs/dbraw/zinc/55/12/29/662551229.db2.gz	RPRBXZJPOPQDPX-ULAWRXDQSA-N	0	0	309.286	-1.748	20	5		DABDRN
Cn1cnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC000976485170	662585159	/nfs/dbraw/zinc/58/51/59/662585159.db2.gz	WKDRLZKDJGUJJZ-SPFKKGSWSA-N	0	0	320.309	-1.333	20	5		DABDRN
O=C(N[C@@H]1[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976479170	662585598	/nfs/dbraw/zinc/58/55/98/662585598.db2.gz	WPPVKZVRMUNWOP-NWQNCHOTSA-N	0	0	306.282	-1.344	20	5		DABDRN
O=C(Cn1nccn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976496563	662585696	/nfs/dbraw/zinc/58/56/96/662585696.db2.gz	WIBAQNSBOGDLJI-GPTQDWHKSA-N	0	0	320.309	-1.484	20	5		DABDRN
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NC(=O)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1	ZINC001292303382	777927326	/nfs/dbraw/zinc/92/73/26/777927326.db2.gz	DRVIWWAIOAISCM-JTQLQIEISA-N	0	0	310.266	-1.531	20	5		DABDRN
NC(=O)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1	ZINC001292303392	777927572	/nfs/dbraw/zinc/92/75/72/777927572.db2.gz	DRVIWWAIOAISCM-SNVBAGLBSA-N	0	0	310.266	-1.531	20	5		DABDRN
COC(=O)C1(O)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001302875708	778096615	/nfs/dbraw/zinc/09/66/15/778096615.db2.gz	DIWTVOBJFYJYTA-UHFFFAOYSA-N	0	0	311.250	-1.497	20	5		DABDRN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC2(C1)C[C@@H](O)CNC2=O	ZINC001303532673	778097796	/nfs/dbraw/zinc/09/77/96/778097796.db2.gz	GWNGISIVEOIJRT-SSDOTTSWSA-N	0	0	309.282	-1.349	20	5		DABDRN
O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2[C@@H](CNS2(=O)=O)C1	ZINC001303993650	778099531	/nfs/dbraw/zinc/09/95/31/778099531.db2.gz	BROAVVSNNGHKEI-ZETCQYMHSA-N	0	0	315.311	-1.103	20	5		DABDRN
CN(CC(=O)OCCn1cnc([N+](=O)[O-])n1)S(C)(=O)=O	ZINC001122714191	779572236	/nfs/dbraw/zinc/57/22/36/779572236.db2.gz	RYXNKKFJTMAZHZ-UHFFFAOYSA-N	0	0	307.288	-1.379	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CS(C)(=O)=O	ZINC001124355424	779595689	/nfs/dbraw/zinc/59/56/89/779595689.db2.gz	FYGYYYHBFPYBRN-UHFFFAOYSA-N	0	0	319.343	-1.421	20	5		DABDRN
Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCO)CCOCCO	ZINC001149360225	779630382	/nfs/dbraw/zinc/63/03/82/779630382.db2.gz	VZINISMZCYMHCC-UHFFFAOYSA-N	0	0	316.314	-1.070	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CCNC(N)=O	ZINC001150423962	779657480	/nfs/dbraw/zinc/65/74/80/779657480.db2.gz	NEABHGFEQDOXJX-UHFFFAOYSA-N	0	0	313.318	-1.408	20	5		DABDRN
CN1C(=O)CN(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O	ZINC001151236583	779674658	/nfs/dbraw/zinc/67/46/58/779674658.db2.gz	LYNSGSIOHRZOKP-UHFFFAOYSA-N	0	0	309.238	-1.318	20	5		DABDRN
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CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC(CO)(CO)CO)n1	ZINC001157150628	779749037	/nfs/dbraw/zinc/74/90/37/779749037.db2.gz	KANXEOMWTKLNSV-UHFFFAOYSA-N	0	0	315.286	-1.221	20	5		DABDRN
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Cc1ccnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1[N+](=O)[O-]	ZINC001158975530	779785636	/nfs/dbraw/zinc/78/56/36/779785636.db2.gz	WKYLKVNHDUZXKA-IKKWRGQYSA-N	0	0	315.282	-1.490	20	5		DABDRN
Cc1nc(Cl)nc(N2CN[C@H](N)[C@@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162437582	779853240	/nfs/dbraw/zinc/85/32/40/779853240.db2.gz	VFPSMIHZWABPAU-GEVIPFJHSA-N	0	0	314.737	-1.156	20	5		DABDRN
Cc1nc(Cl)nc(N2CN[C@H](N)[C@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162437584	779853340	/nfs/dbraw/zinc/85/33/40/779853340.db2.gz	VFPSMIHZWABPAU-MHSYXAOVSA-N	0	0	314.737	-1.156	20	5		DABDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CN[C@H](N)[C@H]2NCN[C@@H]21	ZINC001162436239	779853862	/nfs/dbraw/zinc/85/38/62/779853862.db2.gz	JBKKBFFFCCOEHF-WCABBAIRSA-N	0	0	323.313	-1.727	20	5		DABDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CN[C@H](N)[C@H]2NCN[C@H]21	ZINC001162436240	779854329	/nfs/dbraw/zinc/85/43/29/779854329.db2.gz	JBKKBFFFCCOEHF-YWVKMMECSA-N	0	0	323.313	-1.727	20	5		DABDRN
N[C@@H]1NCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2NCN[C@H]21	ZINC001162439718	779855671	/nfs/dbraw/zinc/85/56/71/779855671.db2.gz	ODFIXXZJHKTULI-QJPTWQEYSA-N	0	0	304.314	-1.032	20	5		DABDRN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CN[C@H](N)[C@H]3NCN[C@H]32)n1	ZINC001162438100	779855773	/nfs/dbraw/zinc/85/57/73/779855773.db2.gz	WWEVWFPPFOBZMO-YRZRMSQOSA-N	0	0	314.737	-1.156	20	5		DABDRN
COc1cc(C)nc(N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162441205	779856754	/nfs/dbraw/zinc/85/67/54/779856754.db2.gz	XLPATTRGVIMCED-INTQDDNPSA-N	0	0	309.330	-1.196	20	5		DABDRN
CCOc1nc(N2CN[C@H](N)[C@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162445544	779858007	/nfs/dbraw/zinc/85/80/07/779858007.db2.gz	FIUGULLXNVBEJY-OUAUKWLOSA-N	0	0	309.330	-1.115	20	5		DABDRN
CCOc1nc(N2CN[C@H](N)[C@@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162445542	779859213	/nfs/dbraw/zinc/85/92/13/779859213.db2.gz	FIUGULLXNVBEJY-DCAQKATOSA-N	0	0	309.330	-1.115	20	5		DABDRN
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CC(=O)N1CC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224798031	780324028	/nfs/dbraw/zinc/32/40/28/780324028.db2.gz	VZGUFXNEWNAPAI-SECBINFHSA-N	0	0	316.270	-1.284	20	5		DABDRN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)nc1	ZINC001261512262	780544931	/nfs/dbraw/zinc/54/49/31/780544931.db2.gz	HQRFIRPPFAEYDD-APPZFPTMSA-N	0	0	303.296	-1.037	20	5		DABDRN
O=C(CN1CCCS1(=O)=O)OCCn1cnc([N+](=O)[O-])n1	ZINC001263376753	780577711	/nfs/dbraw/zinc/57/77/11/780577711.db2.gz	HYZMCDSYLOSMIR-UHFFFAOYSA-N	0	0	319.299	-1.235	20	5		DABDRN
Cn1cc(CCC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1	ZINC001283005690	780732342	/nfs/dbraw/zinc/73/23/42/780732342.db2.gz	YFWBTUXMSIYIJZ-NXEZZACHSA-N	0	0	310.314	-1.355	20	5		DABDRN
COc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1	ZINC001283004907	780732804	/nfs/dbraw/zinc/73/28/04/780732804.db2.gz	LHGSGLXQMOBEDD-VXNVDRBHSA-N	0	0	309.282	-1.004	20	5		DABDRN
CN(CCNC(=O)CN1CCCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001284496129	780822356	/nfs/dbraw/zinc/82/23/56/780822356.db2.gz	VEMAIFVMDFXIHW-NXEZZACHSA-N	0	0	312.326	-1.151	20	5		DABDRN
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1nccn1	ZINC001284611663	780830569	/nfs/dbraw/zinc/83/05/69/780830569.db2.gz	BEUMNAFNAYJTIQ-NXEZZACHSA-N	0	0	310.314	-1.092	20	5		DABDRN
CS(=O)(=O)CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284887859	780842641	/nfs/dbraw/zinc/84/26/41/780842641.db2.gz	NPMNRYSZJXTHTI-HTQZYQBOSA-N	0	0	305.312	-1.977	20	5		DABDRN
Cn1nncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001285924050	780897684	/nfs/dbraw/zinc/89/76/84/780897684.db2.gz	STJVGEPIQOSVQE-HTQZYQBOSA-N	0	0	308.298	-1.141	20	5		DABDRN
NC(=O)C(=O)NC[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC001091512353	781409219	/nfs/dbraw/zinc/40/92/19/781409219.db2.gz	NOWUFBATNBPEIJ-IZLXSQMJSA-N	0	0	309.286	-1.241	20	5		DABDRN
CN(CCNC(=O)CNC(N)=O)c1ncc([N+](=O)[O-])c(N)n1	ZINC001099910723	781496897	/nfs/dbraw/zinc/49/68/97/781496897.db2.gz	QERGQJQUHBZNAU-UHFFFAOYSA-N	0	0	312.290	-1.812	20	5		DABDRN
CC(=O)N1CC(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC001093576766	781515079	/nfs/dbraw/zinc/51/50/79/781515079.db2.gz	QHTOVFHMTLQKGG-UHFFFAOYSA-N	0	0	323.313	-1.027	20	5		DABDRN
Cn1nncc1C(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093593515	781515492	/nfs/dbraw/zinc/51/54/92/781515492.db2.gz	LHOSNXLHWYMEGK-UHFFFAOYSA-N	0	0	307.274	-1.063	20	5		DABDRN
Nc1nc(NCCNC(=O)Cn2cncn2)ncc1[N+](=O)[O-]	ZINC001093621734	781516596	/nfs/dbraw/zinc/51/65/96/781516596.db2.gz	QZPFIVMHNXCIKW-UHFFFAOYSA-N	0	0	307.274	-1.213	20	5		DABDRN
NC(=O)C1(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001094079361	781529327	/nfs/dbraw/zinc/52/93/27/781529327.db2.gz	CXZHZJOJMWHWLE-UHFFFAOYSA-N	0	0	309.286	-1.239	20	5		DABDRN
CNC(=O)NCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001094203967	781533615	/nfs/dbraw/zinc/53/36/15/781533615.db2.gz	DNLWKAHKVVTXTE-UHFFFAOYSA-N	0	0	312.290	-1.576	20	5		DABDRN
O=C(NCc1cn(C2CN(CCO)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001094291888	781541027	/nfs/dbraw/zinc/54/10/27/781541027.db2.gz	WGZMHWLXTKOXQQ-GHMZBOCLSA-N	0	0	310.314	-1.592	20	5		DABDRN
NC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1	ZINC001094291869	781541897	/nfs/dbraw/zinc/54/18/97/781541897.db2.gz	VSKMVVVDKHMYBA-NXEZZACHSA-N	0	0	323.313	-2.099	20	5		DABDRN
NC(=O)CN1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC001318771374	916406778	/nfs/dbraw/zinc/40/67/78/916406778.db2.gz	HBCYIZPDTGDPNB-SECBINFHSA-N	0	0	310.314	-1.143	20	5		DABDRN
Cc1nn(C)c(C(=O)N2CCN(CC(N)=O)CC2)c1[N+](=O)[O-]	ZINC001319178821	916420670	/nfs/dbraw/zinc/42/06/70/916420670.db2.gz	YSDSDLUTMNTQNK-UHFFFAOYSA-N	0	0	310.314	-1.120	20	5		DABDRN
CN(C)C(=O)COC1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001319481921	916438961	/nfs/dbraw/zinc/43/89/61/916438961.db2.gz	LQKGBIRBGPWVDN-UHFFFAOYSA-N	0	0	312.286	-1.498	20	5		DABDRN
O=C(CN1CCC(=O)NC1=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001319840566	916453317	/nfs/dbraw/zinc/45/33/17/916453317.db2.gz	FLBARQIYQVKXED-UHFFFAOYSA-N	0	0	310.270	-1.151	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC001320015519	916463845	/nfs/dbraw/zinc/46/38/45/916463845.db2.gz	ICTOZVSMHMFEEQ-QMMMGPOBSA-N	0	0	308.254	-1.446	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCNC(=O)C2)n1	ZINC001320578326	916518356	/nfs/dbraw/zinc/51/83/56/916518356.db2.gz	VOANEPRCTCBRNI-UHFFFAOYSA-N	0	0	310.314	-1.120	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC(N)=O)CC2)n1	ZINC001324412399	916779222	/nfs/dbraw/zinc/77/92/22/916779222.db2.gz	VGUTVDAKLULCJY-UHFFFAOYSA-N	0	0	310.314	-1.039	20	5		DABDRN
CN1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O	ZINC001327288024	917001225	/nfs/dbraw/zinc/00/12/25/917001225.db2.gz	JZRBAQKQIGRUGF-SECBINFHSA-N	0	0	324.297	-1.746	20	5		DABDRN
CCOC(=O)[C@@H]1CNCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001328490513	917090820	/nfs/dbraw/zinc/09/08/20/917090820.db2.gz	RUYDBXWKJQEFEA-QMMMGPOBSA-N	0	0	312.286	-1.450	20	5		DABDRN
C[C@@H](O)CN(CCO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001328756089	917108817	/nfs/dbraw/zinc/10/88/17/917108817.db2.gz	NSXVZNAJOBVHOA-SSDOTTSWSA-N	0	0	308.316	-1.308	20	5		DABDRN
NC(=O)C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC001329223848	917150512	/nfs/dbraw/zinc/15/05/12/917150512.db2.gz	SYZYCUMOBCYROM-SNVBAGLBSA-N	0	0	324.293	-1.141	20	5		DABDRN
Cc1nc(=NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n(C)[nH]1	ZINC001329209508	917151420	/nfs/dbraw/zinc/15/14/20/917151420.db2.gz	ZDKZIXUQVXICIR-UHFFFAOYSA-N	0	0	301.288	-1.012	20	5		DABDRN
CN(C)C(=O)CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001338608969	917700264	/nfs/dbraw/zinc/70/02/64/917700264.db2.gz	PYHQGESELSFYKW-UHFFFAOYSA-N	0	0	312.286	-1.888	20	5		DABDRN
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O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCNC(=O)CC1	ZINC001343184468	917797393	/nfs/dbraw/zinc/79/73/93/917797393.db2.gz	MNCUPLZAYRFPPP-UHFFFAOYSA-N	0	0	324.297	-1.744	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](CO)[C@H](O)C1	ZINC001343721893	917813589	/nfs/dbraw/zinc/81/35/89/917813589.db2.gz	CXONDLRPFXTOBO-GXSJLCMTSA-N	0	0	311.294	-1.042	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](CO)[C@@H](O)C1	ZINC001343721896	917815118	/nfs/dbraw/zinc/81/51/18/917815118.db2.gz	CXONDLRPFXTOBO-ONGXEEELSA-N	0	0	311.294	-1.042	20	5		DABDRN
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CNc1nccc(C(=O)N2CCN(C(=O)CO)CC2)c1[N+](=O)[O-]	ZINC000594333098	409752144	/nfs/dbraw/zinc/75/21/44/409752144.db2.gz	SHOXRNZKPRZJPH-UHFFFAOYSA-N	0	0	323.309	-0.692	20	5		DABDRN
Nc1ccc(NC[C@@]2(O)CCS(=O)(=O)C2)nc1[N+](=O)[O-]	ZINC000596249590	409754577	/nfs/dbraw/zinc/75/45/77/409754577.db2.gz	IEZGZNOMDGQBCZ-JTQLQIEISA-N	0	0	302.312	-0.467	20	5		DABDRN
Nc1nccc(C(=O)NCCCN2CCNC(=O)C2)c1[N+](=O)[O-]	ZINC000565184266	409804947	/nfs/dbraw/zinc/80/49/47/409804947.db2.gz	VSGRWQNEKWPILP-UHFFFAOYSA-N	0	0	322.325	-0.876	20	5		DABDRN
COCCN(CC(=O)OC)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000358321792	262581859	/nfs/dbraw/zinc/58/18/59/262581859.db2.gz	LPYSJIBWUPSQDE-UHFFFAOYSA-N	0	0	301.259	-1.166	20	5		DABDRN
CN(C)S(=O)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000359804418	262589220	/nfs/dbraw/zinc/58/92/20/262589220.db2.gz	XTGVWGOCSSSFAV-UHFFFAOYSA-N	0	0	305.316	-1.201	20	5		DABDRN
COc1ccc(S(=O)(=O)N[C@@H](CO)C(N)=O)c([N+](=O)[O-])c1	ZINC000352604111	263239290	/nfs/dbraw/zinc/23/92/90/263239290.db2.gz	SHCRQAQTRGZJHE-ZETCQYMHSA-N	0	0	319.295	-1.272	20	5		DABDRN
NS(=O)(=O)CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1	ZINC000354568380	263244868	/nfs/dbraw/zinc/24/48/68/263244868.db2.gz	FOQHPEITCJXUEU-UHFFFAOYSA-N	0	0	316.343	-1.205	20	5		DABDRN
COc1cc(S(=O)(=O)N[C@H](CO)C(N)=O)ccc1[N+](=O)[O-]	ZINC000352617176	263244994	/nfs/dbraw/zinc/24/49/94/263244994.db2.gz	MRWZFMSNOXFFEX-SSDOTTSWSA-N	0	0	319.295	-1.272	20	5		DABDRN
CCOC(=O)CN(CC(N)=O)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000299713475	263249832	/nfs/dbraw/zinc/24/98/32/263249832.db2.gz	QZWSWSJPZWDPMU-UHFFFAOYSA-N	0	0	313.270	-1.332	20	5		DABDRN
O=C(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)NCCO	ZINC000353586594	263251183	/nfs/dbraw/zinc/25/11/83/263251183.db2.gz	BIUXQWMYEAIOFX-UHFFFAOYSA-N	0	0	324.293	-1.451	20	5		DABDRN
Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCOCC1	ZINC000425295041	263252085	/nfs/dbraw/zinc/25/20/85/263252085.db2.gz	OIEAFXBZJKAWCI-VIFPVBQESA-N	0	0	313.314	-1.249	20	5		DABDRN
NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000352627239	263282722	/nfs/dbraw/zinc/28/27/22/263282722.db2.gz	TUUBUSDOIRFFHY-SECBINFHSA-N	0	0	317.323	-1.097	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC(=O)N1CCOCC1	ZINC000345612186	263317317	/nfs/dbraw/zinc/31/73/17/263317317.db2.gz	SZQRWJXHRHBXPT-UHFFFAOYSA-N	0	0	324.293	-1.269	20	5		DABDRN
CN(C)S(=O)(=O)CCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000359784511	263325319	/nfs/dbraw/zinc/32/53/19/263325319.db2.gz	IEWKDBNORPRLGU-UHFFFAOYSA-N	0	0	305.316	-1.201	20	5		DABDRN
COC(=O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000584282784	332210778	/nfs/dbraw/zinc/21/07/78/332210778.db2.gz	PBYQQMXZYPSUPX-UHFFFAOYSA-N	0	0	312.238	-1.286	20	5		DABDRN
NS(=O)(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC000343656790	335185511	/nfs/dbraw/zinc/18/55/11/335185511.db2.gz	AUKRFQUMDRXPCP-UHFFFAOYSA-N	0	0	304.288	-1.721	20	5		DABDRN
CN1C(=O)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1=O	ZINC000550159963	341311503	/nfs/dbraw/zinc/31/15/03/341311503.db2.gz	URZRBUVAGYYSBJ-UHFFFAOYSA-N	0	0	308.250	-1.416	20	5		DABDRN
CN1C(=O)C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O	ZINC000555556202	341485126	/nfs/dbraw/zinc/48/51/26/341485126.db2.gz	LZNGLSPADULJLG-QMMMGPOBSA-N	0	0	308.250	-1.370	20	5		DABDRN
NC(=O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000338107545	526886721	/nfs/dbraw/zinc/88/67/21/526886721.db2.gz	PYVXAYCTFWCDHZ-UHFFFAOYSA-N	0	0	308.250	-1.078	20	5		DABDRN
COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000344858491	545698537	/nfs/dbraw/zinc/69/85/37/545698537.db2.gz	GYZLSGLGCOKWDL-LURJTMIESA-N	0	0	312.242	-2.314	20	5		DABDRN
COC(=O)[C@H]1CNC(=O)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000344918963	545698584	/nfs/dbraw/zinc/69/85/84/545698584.db2.gz	YCLCBOQTJGQLFR-MRVPVSSYSA-N	0	0	324.249	-1.191	20	5		DABDRN
COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000344857957	545698606	/nfs/dbraw/zinc/69/86/06/545698606.db2.gz	GDYMOHRVSCWXEI-ZETCQYMHSA-N	0	0	311.254	-1.709	20	5		DABDRN
CS(=O)(=O)N1CC(CNc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000490024054	545851522	/nfs/dbraw/zinc/85/15/22/545851522.db2.gz	CKHDWQMLVWVMDW-UHFFFAOYSA-N	0	0	302.316	-1.308	20	5		DABDRN
O=C(Cn1cnnn1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000972949973	662481683	/nfs/dbraw/zinc/48/16/83/662481683.db2.gz	FFOMMTYCYXCIAB-FNCVBFRFSA-N	0	0	309.286	-1.898	20	5		DABDRN
CC(=O)N1CC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC000973207778	662506165	/nfs/dbraw/zinc/50/61/65/662506165.db2.gz	JPAUKXPWHLWGLY-DDHJBXDOSA-N	0	0	324.337	-1.107	20	5		DABDRN
Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000973253134	662508232	/nfs/dbraw/zinc/50/82/32/662508232.db2.gz	UZNJJRLNBAORJO-FDDDBJFASA-N	0	0	308.298	-1.143	20	5		DABDRN
O=C(Cn1nccn1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000973254976	662508253	/nfs/dbraw/zinc/50/82/53/662508253.db2.gz	RPPOLJLGERIFBK-ZYUZMQFOSA-N	0	0	308.298	-1.293	20	5		DABDRN
Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000973254979	662508583	/nfs/dbraw/zinc/50/85/83/662508583.db2.gz	RPRBXZJPOPQDPX-WCTZXXKLSA-N	0	0	309.286	-1.748	20	5		DABDRN
O=C(Cn1cnnn1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC000976125739	662578825	/nfs/dbraw/zinc/57/88/25/662578825.db2.gz	CHERASRYFIEEHK-DZEUPHNYSA-N	0	0	321.297	-2.089	20	5		DABDRN
Cn1nncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC000976427513	662584222	/nfs/dbraw/zinc/58/42/22/662584222.db2.gz	KWWVNAPULNZALE-DZEUPHNYSA-N	0	0	320.309	-1.333	20	5		DABDRN
Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)n1	ZINC000976460790	662584584	/nfs/dbraw/zinc/58/45/84/662584584.db2.gz	SFLQUTPFZCWKPJ-SPFKKGSWSA-N	0	0	320.309	-1.333	20	5		DABDRN
O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21)c1cn[nH]n1	ZINC000976806016	662590956	/nfs/dbraw/zinc/59/09/56/662590956.db2.gz	PUHFVWDMINQEMX-NWQNCHOTSA-N	0	0	306.282	-1.344	20	5		DABDRN
O=C(Cn1cnnn1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000978794255	662616807	/nfs/dbraw/zinc/61/68/07/662616807.db2.gz	KITBYOCRPAOSNT-UTINFBMNSA-N	0	0	323.313	-1.651	20	5		DABDRN
O=C(Cn1cncn1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000979744298	662627223	/nfs/dbraw/zinc/62/72/23/662627223.db2.gz	BXFYRONDVWXJIM-GWOFURMSSA-N	0	0	322.325	-1.046	20	5		DABDRN
Cn1nnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000980199481	662634217	/nfs/dbraw/zinc/63/42/17/662634217.db2.gz	GMAGNAIFDDEGON-FNCVBFRFSA-N	0	0	323.313	-1.500	20	5		DABDRN
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(=O)[nH]n1	ZINC000990150770	662754028	/nfs/dbraw/zinc/75/40/28/662754028.db2.gz	BBEKGPPCUPLVOW-VXNVDRBHSA-N	0	0	307.266	-1.212	20	5		DABDRN
Nc1nccnc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000990539823	662764983	/nfs/dbraw/zinc/76/49/83/662764983.db2.gz	AVNXPRGUXITFKX-HTQZYQBOSA-N	0	0	306.282	-1.335	20	5		DABDRN
Cn1nccc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991063058	662795729	/nfs/dbraw/zinc/79/57/29/662795729.db2.gz	SZTJGLQQPSXTIF-GHMZBOCLSA-N	0	0	307.310	-1.045	20	5		DABDRN
Cn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1N	ZINC000991279603	663132578	/nfs/dbraw/zinc/13/25/78/663132578.db2.gz	NJKBVXNFXPHKDS-VXNVDRBHSA-N	0	0	308.298	-1.392	20	5		DABDRN
O=C(CCn1cncn1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991282064	663133257	/nfs/dbraw/zinc/13/32/57/663133257.db2.gz	VSCRSGFPJZWEMC-NXEZZACHSA-N	0	0	308.298	-1.340	20	5		DABDRN
Cn1ncc(CCC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000991285239	663133403	/nfs/dbraw/zinc/13/34/03/663133403.db2.gz	BNKVNQQCWYSZTF-GHMZBOCLSA-N	0	0	322.325	-1.260	20	5		DABDRN
NC(=O)c1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1	ZINC000991285044	663133514	/nfs/dbraw/zinc/13/35/14/663133514.db2.gz	ACCZBVDWPJDFCF-GMSGAONNSA-N	0	0	321.293	-1.281	20	5		DABDRN
CCn1nncc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991294651	663134389	/nfs/dbraw/zinc/13/43/89/663134389.db2.gz	GZJQBLKIAAPAGF-RKDXNWHRSA-N	0	0	308.298	-1.096	20	5		DABDRN
NC(=O)c1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1	ZINC000991291978	663134586	/nfs/dbraw/zinc/13/45/86/663134586.db2.gz	AMICRJLFPPUEGL-PSASIEDQSA-N	0	0	321.293	-1.281	20	5		DABDRN
O=C(CN1CCCCC1=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991295982	663135343	/nfs/dbraw/zinc/13/53/43/663135343.db2.gz	LUCHXKMGLRJJFX-GHMZBOCLSA-N	0	0	324.337	-1.009	20	5		DABDRN
CCn1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC000991295987	663135408	/nfs/dbraw/zinc/13/54/08/663135408.db2.gz	LWIKWFMTEXBBQE-GHMZBOCLSA-N	0	0	322.325	-1.167	20	5		DABDRN
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cn[nH]c(=O)c1	ZINC000994041816	663275401	/nfs/dbraw/zinc/27/54/01/663275401.db2.gz	ROPPJSRLLYWIAM-RKDXNWHRSA-N	0	0	307.266	-1.212	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cnn(C)n2)C1	ZINC000954240080	663303463	/nfs/dbraw/zinc/30/34/63/663303463.db2.gz	LIYSCJTXKLUGFO-PSASIEDQSA-N	0	0	308.298	-1.237	20	5		DABDRN
O=C(CN1CCCCC1=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000995183359	663407669	/nfs/dbraw/zinc/40/76/69/663407669.db2.gz	FBBMWNMRCMOMNM-GHMZBOCLSA-N	0	0	324.337	-1.009	20	5		DABDRN
O=C(Cn1cnnn1)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000944029341	663442649	/nfs/dbraw/zinc/44/26/49/663442649.db2.gz	LBHDWSVRMHHGCJ-NXEZZACHSA-N	0	0	323.313	-1.555	20	5		DABDRN
NC(=O)c1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1	ZINC000996310561	663485566	/nfs/dbraw/zinc/48/55/66/663485566.db2.gz	NBUAWEGOZVYFLE-RKDXNWHRSA-N	0	0	322.277	-1.016	20	5		DABDRN
Cn1ccc(=O)c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1	ZINC000996873503	663496418	/nfs/dbraw/zinc/49/64/18/663496418.db2.gz	XBYSZPSRZOPKLW-MWLCHTKSSA-N	0	0	320.305	-1.009	20	5		DABDRN
CCn1cc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC000997617155	663521884	/nfs/dbraw/zinc/52/18/84/663521884.db2.gz	DJZCTQFRKNIJDV-GHMZBOCLSA-N	0	0	322.325	-1.167	20	5		DABDRN
Cc1nonc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000998907664	663553322	/nfs/dbraw/zinc/55/33/22/663553322.db2.gz	UMXRZVSEYXOWIX-PSASIEDQSA-N	0	0	309.282	-1.087	20	5		DABDRN
NC(=O)C1(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001001810811	663611036	/nfs/dbraw/zinc/61/10/36/663611036.db2.gz	SWYTVGXFGXKKMI-RKDXNWHRSA-N	0	0	310.310	-1.508	20	5		DABDRN
Cn1nnnc1CN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001002782686	663619449	/nfs/dbraw/zinc/61/94/49/663619449.db2.gz	NVLQJZHQSIRWGT-NXEZZACHSA-N	0	0	309.330	-1.044	20	5		DABDRN
O=C(Cn1cnnn1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000946705899	663653209	/nfs/dbraw/zinc/65/32/09/663653209.db2.gz	YILFTZOBMKLQMC-NXEZZACHSA-N	0	0	323.313	-1.555	20	5		DABDRN
O=C(Cn1ncnn1)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000946833445	663693800	/nfs/dbraw/zinc/69/38/00/663693800.db2.gz	SEQMTMXACWJVOG-NXEZZACHSA-N	0	0	323.313	-1.555	20	5		DABDRN
CNC(=O)[C@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000757724840	663806765	/nfs/dbraw/zinc/80/67/65/663806765.db2.gz	IMDXFRDHPGEZQY-MRVPVSSYSA-N	0	0	303.296	-1.020	20	5		DABDRN
O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC1[N+](=O)[O-]	ZINC000839761949	663806979	/nfs/dbraw/zinc/80/69/79/663806979.db2.gz	NBQFVYGBWOPGHY-FNCVBFRFSA-N	0	0	300.271	-1.061	20	5		DABDRN
COC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(N)=O	ZINC000760891814	663810135	/nfs/dbraw/zinc/81/01/35/663810135.db2.gz	YZRABFGOBATGGR-SNVBAGLBSA-N	0	0	324.293	-1.059	20	5		DABDRN
O=C(CCn1cc[nH]c(=O)c1=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000768948836	663816108	/nfs/dbraw/zinc/81/61/08/663816108.db2.gz	UVXKXRVFWAPYLR-UHFFFAOYSA-N	0	0	322.281	-1.152	20	5		DABDRN
COC(=O)CNC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000772062782	663818333	/nfs/dbraw/zinc/81/83/33/663818333.db2.gz	XWBBBXPKTFNVQJ-UHFFFAOYSA-N	0	0	300.227	-1.226	20	5		DABDRN
CNC(=O)[C@@H](O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000788181244	663830591	/nfs/dbraw/zinc/83/05/91/663830591.db2.gz	APTHUTDJNVUTPN-JTQLQIEISA-N	0	0	324.293	-1.452	20	5		DABDRN
C[C@@H](C[N+](=O)[O-])OC(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000814041788	663850759	/nfs/dbraw/zinc/85/07/59/663850759.db2.gz	CISHFUJSRHIHKL-VIFPVBQESA-N	0	0	309.344	-1.228	20	5		DABDRN
Cn1cnn(CCC(=O)OCCn2cnc([N+](=O)[O-])n2)c1=O	ZINC000815972771	663852092	/nfs/dbraw/zinc/85/20/92/663852092.db2.gz	PQXBGYOYTVHMSJ-UHFFFAOYSA-N	0	0	311.258	-1.285	20	5		DABDRN
NC(=O)[C@H](O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000834572902	663875503	/nfs/dbraw/zinc/87/55/03/663875503.db2.gz	FSKKRBLLQOIHNG-SNVBAGLBSA-N	0	0	307.266	-1.093	20	5		DABDRN
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC000855958273	663906963	/nfs/dbraw/zinc/90/69/63/663906963.db2.gz	STBJSNWYZKSBCE-ZOZBQHSOSA-N	0	0	304.324	-1.078	20	5		DABDRN
Cn1nnc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC000947852923	664011105	/nfs/dbraw/zinc/01/11/05/664011105.db2.gz	PKHLAJVALQFKMK-RKDXNWHRSA-N	0	0	323.313	-1.404	20	5		DABDRN
CN(C(=O)CN1CCCC1=O)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000953694191	664123770	/nfs/dbraw/zinc/12/37/70/664123770.db2.gz	IWSMWFDGKYOJRZ-GHMZBOCLSA-N	0	0	324.337	-1.057	20	5		DABDRN
CN(C(=O)c1cn(C)nn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000954211070	664140206	/nfs/dbraw/zinc/14/02/06/664140206.db2.gz	MDNGPVPRQYTCHB-PSASIEDQSA-N	0	0	308.298	-1.237	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cn2cnnn2)C1	ZINC000954235474	664141041	/nfs/dbraw/zinc/14/10/41/664141041.db2.gz	XHWYVJWMFKTKGC-RKDXNWHRSA-N	0	0	309.286	-1.993	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2c[nH]c(=O)cn2)C1	ZINC000954239260	664141122	/nfs/dbraw/zinc/14/11/22/664141122.db2.gz	BSFJSFWWFSHMPL-PSASIEDQSA-N	0	0	321.293	-1.282	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(=O)n(C)o2)C1	ZINC000954240559	664141402	/nfs/dbraw/zinc/14/14/02/664141402.db2.gz	RTNIFCOKVKDTRI-RKDXNWHRSA-N	0	0	324.293	-1.074	20	5		DABDRN
CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000954351292	664145405	/nfs/dbraw/zinc/14/54/05/664145405.db2.gz	IZYBSPPZRDAUJN-RKDXNWHRSA-N	0	0	309.286	-1.993	20	5		DABDRN
CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000955028884	664166736	/nfs/dbraw/zinc/16/67/36/664166736.db2.gz	OBIJNHQXSVRURV-HTQZYQBOSA-N	0	0	309.286	-1.842	20	5		DABDRN
CN(C(=O)Cc1nnc[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000955387223	664184194	/nfs/dbraw/zinc/18/41/94/664184194.db2.gz	OZCBWXFZTXMNOY-RKDXNWHRSA-N	0	0	308.298	-1.318	20	5		DABDRN
CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2nnn(C)n2)C1	ZINC000967944948	664468818	/nfs/dbraw/zinc/46/88/18/664468818.db2.gz	BRBMPYVPFNLZMA-RKDXNWHRSA-N	0	0	323.313	-1.452	20	5		DABDRN
NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000969000995	664489278	/nfs/dbraw/zinc/48/92/78/664489278.db2.gz	ANXUWRFMMLYIRV-UTINFBMNSA-N	0	0	310.310	-1.271	20	5		DABDRN
Cn1cnc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC001011091871	664525405	/nfs/dbraw/zinc/52/54/05/664525405.db2.gz	MCMFCPSPFLCOMY-RKDXNWHRSA-N	0	0	308.298	-1.235	20	5		DABDRN
NC(=O)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001019012355	664593634	/nfs/dbraw/zinc/59/36/34/664593634.db2.gz	GDTAEXNOZUTIKQ-RKDXNWHRSA-N	0	0	310.310	-1.412	20	5		DABDRN
Cn1nnc(CN2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1	ZINC001072721384	678162995	/nfs/dbraw/zinc/16/29/95/678162995.db2.gz	PGNYOYCFQADREN-NXEZZACHSA-N	0	0	321.341	-1.090	20	5		DABDRN
O=C(Cn1ncnn1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001063147221	677986593	/nfs/dbraw/zinc/98/65/93/677986593.db2.gz	XWQJJZQWUAADJB-RKDXNWHRSA-N	0	0	323.313	-1.507	20	5		DABDRN
CCN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001079829206	678027755	/nfs/dbraw/zinc/02/77/55/678027755.db2.gz	BRMMBFNGEWSMEA-NXEZZACHSA-N	0	0	323.313	-1.602	20	5		DABDRN
Cc1ocnc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001041814245	678304146	/nfs/dbraw/zinc/30/41/46/678304146.db2.gz	CKKDUQSSWYRZSX-RKDXNWHRSA-N	0	0	324.293	-1.049	20	5		DABDRN
CC(C)OCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001041843912	678304604	/nfs/dbraw/zinc/30/46/04/678304604.db2.gz	ZLTSVRUMRUSJFF-NXEZZACHSA-N	0	0	315.326	-1.234	20	5		DABDRN
Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1	ZINC001042541059	678330944	/nfs/dbraw/zinc/33/09/44/678330944.db2.gz	GNPFHXFAIUGCSZ-GHMZBOCLSA-N	0	0	322.321	-1.007	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CCN2C(=O)CCC2=O)C1	ZINC001042711489	678339825	/nfs/dbraw/zinc/33/98/25/678339825.db2.gz	UTGPHJNRBZDYCL-GHMZBOCLSA-N	0	0	324.337	-1.057	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cncnc1	ZINC001042709557	678340025	/nfs/dbraw/zinc/34/00/25/678340025.db2.gz	FKSIAIICDMUILR-NXEZZACHSA-N	0	0	321.293	-1.555	20	5		DABDRN
CNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042723349	678341417	/nfs/dbraw/zinc/34/14/17/678341417.db2.gz	WANJTFYTXUJVCK-HTQZYQBOSA-N	0	0	314.298	-2.523	20	5		DABDRN
COCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042976293	678358552	/nfs/dbraw/zinc/35/85/52/678358552.db2.gz	ZLMSJAAPZRNCNB-NXEZZACHSA-N	0	0	315.326	-1.232	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2ccon2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042975793	678358955	/nfs/dbraw/zinc/35/89/55/678358955.db2.gz	RLHMXRSSZISWCQ-VXNVDRBHSA-N	0	0	310.266	-1.357	20	5		DABDRN
Cc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042975818	678359167	/nfs/dbraw/zinc/35/91/67/678359167.db2.gz	SNHVMJBACXNPAC-RKDXNWHRSA-N	0	0	324.293	-1.049	20	5		DABDRN
Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001042976774	678359192	/nfs/dbraw/zinc/35/91/92/678359192.db2.gz	SZHLTMSLUUIKHG-VXNVDRBHSA-N	0	0	324.297	-2.217	20	5		DABDRN
Cc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001043827946	678400254	/nfs/dbraw/zinc/40/02/54/678400254.db2.gz	XJMSPOQPZQCTSX-RKDXNWHRSA-N	0	0	323.309	-1.314	20	5		DABDRN
Cc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001044345221	678421089	/nfs/dbraw/zinc/42/10/89/678421089.db2.gz	CJAQKASVVRFYDH-PSASIEDQSA-N	0	0	323.309	-1.314	20	5		DABDRN
Cc1nocc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001045532246	678465109	/nfs/dbraw/zinc/46/51/09/678465109.db2.gz	VLVWKSZJNZOYIK-PSASIEDQSA-N	0	0	324.293	-1.049	20	5		DABDRN
COCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001056731973	678664843	/nfs/dbraw/zinc/66/48/43/678664843.db2.gz	FYJRNCSVUCCSGM-NXEZZACHSA-N	0	0	303.315	-1.375	20	5		DABDRN
CNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057412927	678715477	/nfs/dbraw/zinc/71/54/77/678715477.db2.gz	AMIUKXVELNYNHA-RKDXNWHRSA-N	0	0	316.314	-2.275	20	5		DABDRN
O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cn[nH]n1	ZINC001057545621	678728011	/nfs/dbraw/zinc/72/80/11/678728011.db2.gz	HRBXBJZUBGWNHK-VXNVDRBHSA-N	0	0	312.286	-1.979	20	5		DABDRN
COCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057543418	678728044	/nfs/dbraw/zinc/72/80/44/678728044.db2.gz	HSSLKIHSMZEFSK-NXEZZACHSA-N	0	0	303.315	-1.375	20	5		DABDRN
O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncccn1	ZINC001057544818	678728283	/nfs/dbraw/zinc/72/82/83/678728283.db2.gz	MLCDBRZMCJVTCP-NXEZZACHSA-N	0	0	323.309	-1.308	20	5		DABDRN
CC(C)(O)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057543678	678728374	/nfs/dbraw/zinc/72/83/74/678728374.db2.gz	SEMIJAUSISAVSS-NXEZZACHSA-N	0	0	317.342	-1.250	20	5		DABDRN
CCC(=O)NCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001299346232	782258913	/nfs/dbraw/zinc/25/89/13/782258913.db2.gz	XTNCGYUMCYAWMH-NXEZZACHSA-N	0	0	312.326	-1.153	20	5		DABDRN
NC(=O)C(=O)NCC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001095377351	782259092	/nfs/dbraw/zinc/25/90/92/782259092.db2.gz	VLOVZMLXOCLGCI-UHFFFAOYSA-N	0	0	323.313	-1.215	20	5		DABDRN
NC(=O)CN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001274910814	782298671	/nfs/dbraw/zinc/29/86/71/782298671.db2.gz	VHWCMSWACKVRDS-RKDXNWHRSA-N	0	0	300.315	-1.920	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc[nH]c1	ZINC001043384930	782399091	/nfs/dbraw/zinc/39/90/91/782399091.db2.gz	JMZRTRKWEROZKH-NXEZZACHSA-N	0	0	308.294	-1.017	20	5		DABDRN
CN(CCNC(=O)C1(C(N)=O)CC1)c1ncc([N+](=O)[O-])c(N)n1	ZINC001100293855	782569114	/nfs/dbraw/zinc/56/91/14/782569114.db2.gz	RLGYLGLQVNFFIH-UHFFFAOYSA-N	0	0	323.313	-1.215	20	5		DABDRN
CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CNC(N)=O	ZINC001101484290	782594517	/nfs/dbraw/zinc/59/45/17/782594517.db2.gz	JWEBSMPDBRVIDB-UHFFFAOYSA-N	0	0	312.290	-1.494	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])cn1)NN1CCS(=O)(=O)CC1	ZINC001118947081	782742271	/nfs/dbraw/zinc/74/22/71/782742271.db2.gz	NDLHNHZBDSSXRT-UHFFFAOYSA-N	0	0	303.300	-1.447	20	5		DABDRN
NC(=O)CNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001105235834	775294719	/nfs/dbraw/zinc/29/47/19/775294719.db2.gz	VFCVYLNNPPIGAW-NXEZZACHSA-N	0	0	323.313	-2.099	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cnnn1C	ZINC001126540783	775532337	/nfs/dbraw/zinc/53/23/37/775532337.db2.gz	IIICAFHKYRJPGG-UHFFFAOYSA-N	0	0	308.302	-1.024	20	5		DABDRN
COc1ncc([N+](=O)[O-])c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	ZINC001168041770	775549367	/nfs/dbraw/zinc/54/93/67/775549367.db2.gz	FPARMTJSLQNRQM-GCXDCGAKSA-N	0	0	300.271	-1.092	20	5		DABDRN
NC(=O)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)ccc1[N+](=O)[O-]	ZINC001168041025	775549425	/nfs/dbraw/zinc/54/94/25/775549425.db2.gz	KUFZNSIWCCQDDU-AEQBYEQOSA-N	0	0	312.282	-1.397	20	5		DABDRN
CN(C)C(=O)CN1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1	ZINC001122899665	775789872	/nfs/dbraw/zinc/78/98/72/775789872.db2.gz	XUYBUPJDORAHJK-UHFFFAOYSA-N	0	0	311.346	-1.198	20	5		DABDRN
NC(=O)NCC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1	ZINC001107069553	775838479	/nfs/dbraw/zinc/83/84/79/775838479.db2.gz	HCHOCCLWLXZVOY-UPHRSURJSA-N	0	0	324.301	-1.280	20	5		DABDRN
CN(CCNC(=O)c1cn(C)nn1)c1ncc([N+](=O)[O-])c(N)n1	ZINC001100051904	776253341	/nfs/dbraw/zinc/25/33/41/776253341.db2.gz	OIRWFFOUHBBTPD-UHFFFAOYSA-N	0	0	321.301	-1.038	20	5		DABDRN
Cn1nnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001086363308	776258574	/nfs/dbraw/zinc/25/85/74/776258574.db2.gz	NJKWPYGNWHOQAV-ZYUZMQFOSA-N	0	0	309.330	-1.140	20	5		DABDRN
O=[N+]([O-])c1cnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1	ZINC001169969369	776311089	/nfs/dbraw/zinc/31/10/89/776311089.db2.gz	GMDLZOSSLHHIDL-JGKVKWKGSA-N	0	0	302.243	-2.403	20	5		DABDRN
Cc1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1[N+](=O)[O-]	ZINC001169975012	776323293	/nfs/dbraw/zinc/32/32/93/776323293.db2.gz	DEZAHLGSVBKCSA-RGHQJQCBSA-N	0	0	315.282	-1.490	20	5		DABDRN
O=[N+]([O-])c1ncccc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC001169975009	776323689	/nfs/dbraw/zinc/32/36/89/776323689.db2.gz	DDWKSHRNLAGQNM-VCMDJLOCSA-N	0	0	301.255	-1.798	20	5		DABDRN
Cc1ccc([N+](=O)[O-])c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1	ZINC001169976429	776325038	/nfs/dbraw/zinc/32/50/38/776325038.db2.gz	PCZDEUKGEVSJGI-SANCVJEGSA-N	0	0	315.282	-1.490	20	5		DABDRN
NC(=O)C(=O)NC1(CO)CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC001112673647	776356994	/nfs/dbraw/zinc/35/69/94/776356994.db2.gz	XGWWCORYONAYLO-UHFFFAOYSA-N	0	0	323.309	-1.077	20	5		DABDRN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001130800887	776534300	/nfs/dbraw/zinc/53/43/00/776534300.db2.gz	CTXLOLFORCSKBQ-HTRCEHHLSA-N	0	0	318.311	-1.130	20	5		DABDRN
CS(C)(=O)=NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001133683519	776672660	/nfs/dbraw/zinc/67/26/60/776672660.db2.gz	WQJIFUAAJAHHPL-RNFRBKRXSA-N	0	0	313.357	-1.175	20	5		DABDRN
CNS(=O)(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1	ZINC001170746360	776698128	/nfs/dbraw/zinc/69/81/28/776698128.db2.gz	ZFROCKLASFGDSB-UHFFFAOYSA-N	0	0	318.359	-1.127	20	5		DABDRN
CCc1nn(C)c(N2CC(NS(N)(=O)=O)C2)c1[N+](=O)[O-]	ZINC001307188477	777999116	/nfs/dbraw/zinc/99/91/16/777999116.db2.gz	WZNBMIGUCVNUIO-UHFFFAOYSA-N	0	0	304.332	-1.128	20	5		DABDRN
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCS(C)(=O)=O	ZINC001296064536	778018609	/nfs/dbraw/zinc/01/86/09/778018609.db2.gz	FJYJHLXBIKOJEQ-RKDXNWHRSA-N	0	0	321.355	-1.339	20	5		DABDRN
O=C(Cn1cnnn1)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001296574318	778028713	/nfs/dbraw/zinc/02/87/13/778028713.db2.gz	HMUYZUGHYNWZIS-NXEZZACHSA-N	0	0	323.313	-1.555	20	5		DABDRN
CCNC(=O)CCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297047645	778034597	/nfs/dbraw/zinc/03/45/97/778034597.db2.gz	RSYZGIJENXNBMQ-NXEZZACHSA-N	0	0	312.326	-1.105	20	5		DABDRN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(CO)(CO)C1	ZINC001301522099	778095279	/nfs/dbraw/zinc/09/52/79/778095279.db2.gz	NEKCKUYFLXMAHC-UHFFFAOYSA-N	0	0	311.294	-1.040	20	5		DABDRN
C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCS(=O)(=O)C1	ZINC001124308536	779595589	/nfs/dbraw/zinc/59/55/89/779595589.db2.gz	URVUSHYJVJSICM-VIFPVBQESA-N	0	0	303.300	-1.120	20	5		DABDRN
CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1CO	ZINC001151359753	779676694	/nfs/dbraw/zinc/67/66/94/779676694.db2.gz	PNBWBEKYRTVKDQ-SNVBAGLBSA-N	0	0	310.310	-1.109	20	5		DABDRN
COC(=O)c1cc([N+](=O)[O-])cnc1NC(CO)(CO)CO	ZINC001157149763	779749117	/nfs/dbraw/zinc/74/91/17/779749117.db2.gz	XNIGBRLEWPUXKN-UHFFFAOYSA-N	0	0	301.255	-1.096	20	5		DABDRN
COC(=O)c1ccnc(NC(CO)(CO)CO)c1[N+](=O)[O-]	ZINC001157152890	779749425	/nfs/dbraw/zinc/74/94/25/779749425.db2.gz	YGYPTUUYWKHURR-UHFFFAOYSA-N	0	0	301.255	-1.096	20	5		DABDRN
O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1	ZINC001158970501	779782829	/nfs/dbraw/zinc/78/28/29/779782829.db2.gz	YVCVGSXMBQWUMA-NENRSDFPSA-N	0	0	317.254	-2.560	20	5		DABDRN
Cc1ncc([N+](=O)[O-])c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1	ZINC001158974069	779783479	/nfs/dbraw/zinc/78/34/79/779783479.db2.gz	GCUFUMCHEIFGAV-UEWQFTGXSA-N	0	0	316.270	-2.095	20	5		DABDRN
Cc1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)ncc1[N+](=O)[O-]	ZINC001158980768	779786805	/nfs/dbraw/zinc/78/68/05/779786805.db2.gz	QYKPCFVTOVKFJT-IGORNWKESA-N	0	0	316.270	-2.095	20	5		DABDRN
N[C@@H]1NCN(c2nc(Cl)ncc2[N+](=O)[O-])[C@@H]2NCN[C@H]21	ZINC001162436103	779852032	/nfs/dbraw/zinc/85/20/32/779852032.db2.gz	HVBXNYAGDNRAJA-BBVRLYRLSA-N	0	0	300.710	-1.465	20	5		DABDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CN[C@H](N)[C@@H]2NCN[C@H]21	ZINC001162436238	779853060	/nfs/dbraw/zinc/85/30/60/779853060.db2.gz	JBKKBFFFCCOEHF-QXEWZRGKSA-N	0	0	323.313	-1.727	20	5		DABDRN
N[C@@H]1NCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2NCN[C@H]21	ZINC001162436346	779853349	/nfs/dbraw/zinc/85/33/49/779853349.db2.gz	KGKIMFQBAGVVOM-XKSSXDPKSA-N	0	0	310.274	-1.605	20	5		DABDRN
N[C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@H]2NCN[C@@H]21	ZINC001162437666	779853703	/nfs/dbraw/zinc/85/37/03/779853703.db2.gz	CMVWRFAHJPZITD-OPRDCNLKSA-N	0	0	315.721	-1.622	20	5		DABDRN
COC(=O)c1ccnc(N2CN[C@H](N)[C@@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162441437	779856717	/nfs/dbraw/zinc/85/67/17/779856717.db2.gz	XSFHZWBDOGWAGA-HGNGGELXSA-N	0	0	323.313	-1.727	20	5		DABDRN
COC(=O)c1ccnc(N2CN[C@H](N)[C@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162441438	779857349	/nfs/dbraw/zinc/85/73/49/779857349.db2.gz	XSFHZWBDOGWAGA-JEZHCXPESA-N	0	0	323.313	-1.727	20	5		DABDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CN[C@H](N)[C@H]3NCN[C@H]32)n1	ZINC001162445437	779858170	/nfs/dbraw/zinc/85/81/70/779858170.db2.gz	UPFPDLBQBQOMGY-YWVKMMECSA-N	0	0	323.313	-1.727	20	5		DABDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CN[C@H](N)[C@H]3NCN[C@@H]32)n1	ZINC001162445436	779858276	/nfs/dbraw/zinc/85/82/76/779858276.db2.gz	UPFPDLBQBQOMGY-WCABBAIRSA-N	0	0	323.313	-1.727	20	5		DABDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CN[C@H](N)[C@@H]3NCN[C@H]32)n1	ZINC001162445435	779858498	/nfs/dbraw/zinc/85/84/98/779858498.db2.gz	UPFPDLBQBQOMGY-QXEWZRGKSA-N	0	0	323.313	-1.727	20	5		DABDRN
CCOc1nc(N2CN[C@H](N)[C@@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162445543	779859181	/nfs/dbraw/zinc/85/91/81/779859181.db2.gz	FIUGULLXNVBEJY-GARJFASQSA-N	0	0	309.330	-1.115	20	5		DABDRN
CCNS(=O)(=O)CCNC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001254104825	780480279	/nfs/dbraw/zinc/48/02/79/780480279.db2.gz	NWZNIHHGIDFFOU-UHFFFAOYSA-N	0	0	305.316	-1.003	20	5		DABDRN
Cn1cnnc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001278863212	780497277	/nfs/dbraw/zinc/49/72/77/780497277.db2.gz	ITVQNLXSFPLHLM-RKDXNWHRSA-N	0	0	310.314	-1.857	20	5		DABDRN
CNS(=O)(=O)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC001255503754	780498845	/nfs/dbraw/zinc/49/88/45/780498845.db2.gz	FTHKOOVFXNXGQR-UHFFFAOYSA-N	0	0	305.316	-1.084	20	5		DABDRN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)nc1	ZINC001261512265	780544969	/nfs/dbraw/zinc/54/49/69/780544969.db2.gz	HQRFIRPPFAEYDD-VXNVDRBHSA-N	0	0	303.296	-1.037	20	5		DABDRN
O=[N+]([O-])c1c(N2C[C@@H](O)[C@@H](O)C2)ncnc1N1CCOCC1	ZINC001261762527	780556253	/nfs/dbraw/zinc/55/62/53/780556253.db2.gz	WGZXBAZGQOKWSV-DTORHVGOSA-N	0	0	311.298	-1.237	20	5		DABDRN
CNS(=O)(=O)CCCNC(=O)c1c([N+](=O)[O-])cnn1C	ZINC001261835318	780560885	/nfs/dbraw/zinc/56/08/85/780560885.db2.gz	QQQJYXQZVOFPOI-UHFFFAOYSA-N	0	0	305.316	-1.003	20	5		DABDRN
CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1	ZINC001264254394	780583328	/nfs/dbraw/zinc/58/33/28/780583328.db2.gz	NWHLXRPWBDSVBV-SSDOTTSWSA-N	0	0	303.300	-1.168	20	5		DABDRN
CNC(=O)C1(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC001282865088	780717045	/nfs/dbraw/zinc/71/70/45/780717045.db2.gz	JPWLGWTVZYCQPU-NXEZZACHSA-N	0	0	324.337	-1.151	20	5		DABDRN
COC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284040121	780792854	/nfs/dbraw/zinc/79/28/54/780792854.db2.gz	OSCWYZWPZKRTTJ-FNCVBFRFSA-N	0	0	314.298	-1.229	20	5		DABDRN
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1nnc[nH]1	ZINC001284521686	780824962	/nfs/dbraw/zinc/82/49/62/780824962.db2.gz	HHMSLLODVQINRU-RKDXNWHRSA-N	0	0	310.314	-1.023	20	5		DABDRN
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cnnn1	ZINC001284611830	780831403	/nfs/dbraw/zinc/83/14/03/780831403.db2.gz	IIYRSUIPWYCMDU-RKDXNWHRSA-N	0	0	311.302	-1.697	20	5		DABDRN
NC(=O)C(=O)NC[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC001091395460	781405656	/nfs/dbraw/zinc/40/56/56/781405656.db2.gz	NOWUFBATNBPEIJ-OLQVQODUSA-N	0	0	309.286	-1.241	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)Cc1nc[nH]n1	ZINC001147278212	781437476	/nfs/dbraw/zinc/43/74/76/781437476.db2.gz	VSMCKLMGKXENBF-UHFFFAOYSA-N	0	0	308.302	-1.105	20	5		DABDRN
COCCOCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001299331092	781483323	/nfs/dbraw/zinc/48/33/23/781483323.db2.gz	JCKUQEHMQQNGBF-GHMZBOCLSA-N	0	0	315.326	-1.016	20	5		DABDRN
CS(=O)(=O)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093501972	781513757	/nfs/dbraw/zinc/51/37/57/781513757.db2.gz	LLKPHJUJNLLJGJ-UHFFFAOYSA-N	0	0	318.315	-1.460	20	5		DABDRN
Nc1nc(NCCNC(=O)CCn2cnnn2)ncc1[N+](=O)[O-]	ZINC001093823753	781521204	/nfs/dbraw/zinc/52/12/04/781521204.db2.gz	PCGGQUOXCNQXMD-UHFFFAOYSA-N	0	0	322.289	-1.428	20	5		DABDRN
O=C(CN1CCNC(=O)C1)NCCNc1ncccc1[N+](=O)[O-]	ZINC001094056913	781527930	/nfs/dbraw/zinc/52/79/30/781527930.db2.gz	FLSLHZWXYLAANS-UHFFFAOYSA-N	0	0	322.325	-1.050	20	5		DABDRN
NC(=O)C(=O)N(CCO)CCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001111557815	781583790	/nfs/dbraw/zinc/58/37/90/781583790.db2.gz	ZIWKACFYCGNOBR-UHFFFAOYSA-N	0	0	313.274	-2.315	20	5		DABDRN
O=[N+]([O-])c1cnn(CCN2CCN3[C@H](CNS3(=O)=O)C2)c1	ZINC001176411652	781619505	/nfs/dbraw/zinc/61/95/05/781619505.db2.gz	LRSOMIJHQAOBOV-SECBINFHSA-N	0	0	316.343	-1.375	20	5		DABDRN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CCNC1=O	ZINC001178035141	781640655	/nfs/dbraw/zinc/64/06/55/781640655.db2.gz	DTXJUSHEVWGTOC-UHFFFAOYSA-N	0	0	309.282	-1.102	20	5		DABDRN
O=C(Cn1cnc([N+](=O)[O-])n1)OCCN1CCCS1(=O)=O	ZINC001319545076	916442225	/nfs/dbraw/zinc/44/22/25/916442225.db2.gz	FSZNTYDBZSOOIR-UHFFFAOYSA-N	0	0	319.299	-1.235	20	5		DABDRN
CN(CCNS(C)(=O)=O)C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001319784849	916448738	/nfs/dbraw/zinc/44/87/38/916448738.db2.gz	QVNOGMXEBBBBEU-UHFFFAOYSA-N	0	0	305.316	-1.051	20	5		DABDRN
Cc1nn(C)c(C(=O)NCCNS(C)(=O)=O)c1[N+](=O)[O-]	ZINC001319986998	916459871	/nfs/dbraw/zinc/45/98/71/916459871.db2.gz	VOCNZPJJOVUEBJ-UHFFFAOYSA-N	0	0	305.316	-1.084	20	5		DABDRN
CNC(=O)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001320254315	916486780	/nfs/dbraw/zinc/48/67/80/916486780.db2.gz	HXFLXKRRSHJMPS-WDEREUQCSA-N	0	0	313.314	-1.401	20	5		DABDRN
CNC(=O)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001320254313	916488339	/nfs/dbraw/zinc/48/83/39/916488339.db2.gz	HXFLXKRRSHJMPS-QWRGUYRKSA-N	0	0	313.314	-1.401	20	5		DABDRN
CNS(=O)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC001320713737	916524069	/nfs/dbraw/zinc/52/40/69/916524069.db2.gz	YPOOOYWBGNANKW-UHFFFAOYSA-N	0	0	305.316	-1.235	20	5		DABDRN
CS(=O)(=O)N1CC(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1	ZINC001321272845	916560163	/nfs/dbraw/zinc/56/01/63/916560163.db2.gz	AZECYERTRTYGMZ-UHFFFAOYSA-N	0	0	303.300	-1.061	20	5		DABDRN
CN1C(=O)C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O	ZINC001321333395	916566340	/nfs/dbraw/zinc/56/63/40/916566340.db2.gz	WQFBDMZNTZGQHT-SSDOTTSWSA-N	0	0	308.250	-1.370	20	5		DABDRN
O=C(NCCN1CCS(=O)(=O)CC1)c1c[nH]nc1[N+](=O)[O-]	ZINC001322716303	916659604	/nfs/dbraw/zinc/65/96/04/916659604.db2.gz	HSGIWBLZCKDTGG-UHFFFAOYSA-N	0	0	317.327	-1.222	20	5		DABDRN
O=C(NCC1(O)CN(CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001325215157	916831417	/nfs/dbraw/zinc/83/14/17/916831417.db2.gz	ZKKJSRAPYXRUAL-GHMZBOCLSA-N	0	0	309.326	-1.289	20	5		DABDRN
CN([C@H]1CCNC1=O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001329225050	917153322	/nfs/dbraw/zinc/15/33/22/917153322.db2.gz	NDPMRMOUYUDIBP-LURJTMIESA-N	0	0	303.300	-1.163	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3(C2)CNC(=O)O3)n1	ZINC001329793262	917199384	/nfs/dbraw/zinc/19/93/84/917199384.db2.gz	QLVRLZKECYRTFK-UHFFFAOYSA-N	0	0	317.283	-1.189	20	5		DABDRN
O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[C@@]2(O)C[C@H]2C1	ZINC001331009637	917274259	/nfs/dbraw/zinc/27/42/59/917274259.db2.gz	KNVAJQRHDWUDEJ-TVQRCGJNSA-N	0	0	323.309	-1.109	20	5		DABDRN
CNC(=O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001331750520	917332359	/nfs/dbraw/zinc/33/23/59/917332359.db2.gz	YMQWBMWSIPPHKZ-UHFFFAOYSA-N	0	0	311.302	-1.924	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](O)CN1CCCC1=O	ZINC001334125692	917475187	/nfs/dbraw/zinc/47/51/87/917475187.db2.gz	OIUWJHAXAPGZJC-SNVBAGLBSA-N	0	0	311.298	-1.109	20	5		DABDRN
CCn1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])n1	ZINC001342423161	917785834	/nfs/dbraw/zinc/78/58/34/917785834.db2.gz	BYFRAXZRZNJYSQ-KNVOCYPGSA-N	0	0	306.300	-1.463	20	5		DABDRN
C[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001343421583	917809237	/nfs/dbraw/zinc/80/92/37/917809237.db2.gz	KXQSOUBVPZJTOR-ZETCQYMHSA-N	0	0	303.300	-1.168	20	5		DABDRN
CCOC(=O)[C@@H](CO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001349317485	918010645	/nfs/dbraw/zinc/01/06/45/918010645.db2.gz	CLZDHQTWQOSPIU-VHSXEESVSA-N	0	0	302.287	-1.334	20	5		DABDRN
CCOC(=O)[C@@H](CO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001349317477	918011045	/nfs/dbraw/zinc/01/10/45/918011045.db2.gz	CLZDHQTWQOSPIU-NXEZZACHSA-N	0	0	302.287	-1.334	20	5		DABDRN
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cn[nH]n1	ZINC001355592089	918204702	/nfs/dbraw/zinc/20/47/02/918204702.db2.gz	PDUBRIYBPNHPOD-NXEZZACHSA-N	0	0	310.314	-1.023	20	5		DABDRN
CNC(=O)CCCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001356754985	918241804	/nfs/dbraw/zinc/24/18/04/918241804.db2.gz	LISKBSOIINLIHW-NXEZZACHSA-N	0	0	312.326	-1.105	20	5		DABDRN
CC(=O)N1CC(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001357762448	918302621	/nfs/dbraw/zinc/30/26/21/918302621.db2.gz	GRRHWIMIUMJYPO-JGLYPNHGSA-N	0	0	324.337	-1.082	20	5		DABDRN
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Cc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042364384	678326645	/nfs/dbraw/zinc/32/66/45/678326645.db2.gz	LHMUVHBQLSIZQO-RKDXNWHRSA-N	0	0	324.293	-1.049	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CCN2CCNC2=O)C1	ZINC001042711099	678339898	/nfs/dbraw/zinc/33/98/98/678339898.db2.gz	PWEBHXBGIKRAEO-GHMZBOCLSA-N	0	0	311.342	-1.181	20	5		DABDRN
Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC001042887276	678352068	/nfs/dbraw/zinc/35/20/68/678352068.db2.gz	PEBUKCXHSXLWIC-VXNVDRBHSA-N	0	0	324.297	-2.217	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ncc[nH]1	ZINC001042930844	678355143	/nfs/dbraw/zinc/35/51/43/678355143.db2.gz	AILGXONZSWUHDF-HTQZYQBOSA-N	0	0	309.282	-1.622	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2cccnn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042976869	678358723	/nfs/dbraw/zinc/35/87/23/678358723.db2.gz	XZZGMFZBDSRPTA-PSASIEDQSA-N	0	0	321.293	-1.555	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042976902	678358759	/nfs/dbraw/zinc/35/87/59/678358759.db2.gz	ZAMZGLWMGJOZNT-RNFRBKRXSA-N	0	0	310.270	-2.227	20	5		DABDRN
Cc1cnoc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042976706	678358769	/nfs/dbraw/zinc/35/87/69/678358769.db2.gz	PJGBIYIXGKSKFY-RKDXNWHRSA-N	0	0	324.293	-1.049	20	5		DABDRN
O=C(Cc1ccc[nH]1)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042978222	678358776	/nfs/dbraw/zinc/35/87/76/678358776.db2.gz	JMHMXOQREGTLSV-GHMZBOCLSA-N	0	0	322.321	-1.088	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2cc[nH]c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042981217	678358808	/nfs/dbraw/zinc/35/88/08/678358808.db2.gz	KBTIGCAJMHQEQY-NXEZZACHSA-N	0	0	308.294	-1.017	20	5		DABDRN
Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1	ZINC001042976597	678358913	/nfs/dbraw/zinc/35/89/13/678358913.db2.gz	KTHZURZYMRIJSH-PSASIEDQSA-N	0	0	324.293	-1.049	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2cn[nH]c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042974664	678358959	/nfs/dbraw/zinc/35/89/59/678358959.db2.gz	HLRFLLKUHBMHFQ-RKDXNWHRSA-N	0	0	309.282	-1.622	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)c2ncc[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001042976496	678359003	/nfs/dbraw/zinc/35/90/03/678359003.db2.gz	DVMNSDGAKYTPCN-HTQZYQBOSA-N	0	0	309.282	-1.622	20	5		DABDRN
O=C(Cc1cnc[nH]1)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042978420	678359138	/nfs/dbraw/zinc/35/91/38/678359138.db2.gz	LTZOMIZOCIQQQG-NXEZZACHSA-N	0	0	323.309	-1.693	20	5		DABDRN
CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042974528	678359161	/nfs/dbraw/zinc/35/91/61/678359161.db2.gz	HASPQUSEQNUNTF-NXEZZACHSA-N	0	0	315.326	-1.232	20	5		DABDRN
O=C(Cn1nccn1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001043212467	678372809	/nfs/dbraw/zinc/37/28/09/678372809.db2.gz	YNACYEDAROGBJA-RKDXNWHRSA-N	0	0	324.297	-2.367	20	5		DABDRN
O=C(Cn1ccnc1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001043708593	678390080	/nfs/dbraw/zinc/39/00/80/678390080.db2.gz	DIIMIDRZXOSNKU-NXEZZACHSA-N	0	0	323.309	-1.762	20	5		DABDRN
Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001044366856	678421802	/nfs/dbraw/zinc/42/18/02/678421802.db2.gz	PHURXGDBWQJVLP-HTQZYQBOSA-N	0	0	324.297	-1.919	20	5		DABDRN
O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nnc[nH]1	ZINC001044771139	678433901	/nfs/dbraw/zinc/43/39/01/678433901.db2.gz	QYIABWZFSFZZIJ-RNFRBKRXSA-N	0	0	310.270	-2.227	20	5		DABDRN
O=C(Cn1cncn1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001046865943	678493109	/nfs/dbraw/zinc/49/31/09/678493109.db2.gz	FGGCTAPWAXWRSJ-RKDXNWHRSA-N	0	0	324.297	-2.367	20	5		DABDRN
NC(=O)C(=O)N1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001057412531	678715536	/nfs/dbraw/zinc/71/55/36/678715536.db2.gz	LBMKGHLRFCMRGY-UHFFFAOYSA-N	0	0	309.286	-1.145	20	5		DABDRN
NC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057543538	678728127	/nfs/dbraw/zinc/72/81/27/678728127.db2.gz	NJEIYMLIQWGJRB-HTQZYQBOSA-N	0	0	302.287	-2.536	20	5		DABDRN
O=C(NCCN(CCO)C(=O)c1cn[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001058057902	678804379	/nfs/dbraw/zinc/80/43/79/678804379.db2.gz	KKSGNWXMQARBBX-VXNVDRBHSA-N	0	0	312.286	-1.979	20	5		DABDRN
CNC(=O)C1(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC001299345774	782259573	/nfs/dbraw/zinc/25/95/73/782259573.db2.gz	MLLJODFSEZXYQP-NXEZZACHSA-N	0	0	324.337	-1.153	20	5		DABDRN
CN(CCCNC(=O)CC(N)=O)c1ncc([N+](=O)[O-])c(N)n1	ZINC001095503060	782334293	/nfs/dbraw/zinc/33/42/93/782334293.db2.gz	UDTAYTGCUMRTJR-UHFFFAOYSA-N	0	0	311.302	-1.215	20	5		DABDRN
NC(=O)CC(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC001096998207	782418058	/nfs/dbraw/zinc/41/80/58/782418058.db2.gz	WWFAUNYSHCUTSP-IZLXSQMJSA-N	0	0	309.286	-1.099	20	5		DABDRN
CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)Cn1ncnn1	ZINC001101800456	782604846	/nfs/dbraw/zinc/60/48/46/782604846.db2.gz	KWKVDFLLVGXTHS-UHFFFAOYSA-N	0	0	322.289	-1.476	20	5		DABDRN
O=C(Cn1ccc([N+](=O)[O-])n1)NCCCN1C(=O)CNC1=O	ZINC001116009703	782655832	/nfs/dbraw/zinc/65/58/32/782655832.db2.gz	PZGIIGJAAFZQML-UHFFFAOYSA-N	0	0	310.270	-1.151	20	5		DABDRN
Cc1nn(C)c(C(=O)NCCN2CCNC(=O)C2)c1[N+](=O)[O-]	ZINC001116521589	782662137	/nfs/dbraw/zinc/66/21/37/782662137.db2.gz	RTIKZONCDLDICQ-UHFFFAOYSA-N	0	0	310.314	-1.202	20	5		DABDRN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC001116497360	782662355	/nfs/dbraw/zinc/66/23/55/782662355.db2.gz	GSYMMJALACQENY-SSDOTTSWSA-N	0	0	308.254	-1.296	20	5		DABDRN
C[C@]1(O)CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC001117562032	782695203	/nfs/dbraw/zinc/69/52/03/782695203.db2.gz	HVSCUAATBGXJLZ-LBPRGKRZSA-N	0	0	311.298	-1.109	20	5		DABDRN
O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H]1CO	ZINC001117603194	782696208	/nfs/dbraw/zinc/69/62/08/782696208.db2.gz	IKRIXGAHZGQPMA-SECBINFHSA-N	0	0	311.298	-1.109	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)N(CCO)CCOCCO)n1	ZINC001118879824	782739091	/nfs/dbraw/zinc/73/90/91/782739091.db2.gz	BOVHSWNZAAGDRF-UHFFFAOYSA-N	0	0	302.287	-1.228	20	5		DABDRN
Cn1nnnc1CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001266592739	775161045	/nfs/dbraw/zinc/16/10/45/775161045.db2.gz	ZDJYWWOCDGPELD-NXEZZACHSA-N	0	0	309.330	-1.044	20	5		DABDRN
CCn1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001271282536	775566614	/nfs/dbraw/zinc/56/66/14/775566614.db2.gz	YVWPFSOKAPORJB-GHMZBOCLSA-N	0	0	324.341	-1.374	20	5		DABDRN
CNC(=O)C1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1	ZINC001299194865	775622105	/nfs/dbraw/zinc/62/21/05/775622105.db2.gz	FODUZWZUORZELR-RKDXNWHRSA-N	0	0	324.337	-1.057	20	5		DABDRN
O=C(CO[C@H]1CCCOC1=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001224796833	775669167	/nfs/dbraw/zinc/66/91/67/775669167.db2.gz	LHIMTRVCDGRLRM-ZETCQYMHSA-N	0	0	303.227	-1.200	20	5		DABDRN
Nc1nccnc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991281506	775671702	/nfs/dbraw/zinc/67/17/02/775671702.db2.gz	UOWPDRSDEYOEJQ-HTQZYQBOSA-N	0	0	306.282	-1.335	20	5		DABDRN
O=C(CCc1nnc[nH]1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991278534	775671806	/nfs/dbraw/zinc/67/18/06/775671806.db2.gz	IGKSFKUBVYMQNN-RKDXNWHRSA-N	0	0	308.298	-1.271	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)Cn1ncnn1	ZINC001127433261	775802384	/nfs/dbraw/zinc/80/23/84/775802384.db2.gz	KFIPMTUENACSDZ-UHFFFAOYSA-N	0	0	309.290	-1.779	20	5		DABDRN
NC(=O)C(=O)NCC1=CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001127769443	775861952	/nfs/dbraw/zinc/86/19/52/775861952.db2.gz	PRSNWKXDWATVQL-UHFFFAOYSA-N	0	0	321.297	-1.295	20	5		DABDRN
CNC(=O)NCC(=O)NCCNCc1c([N+](=O)[O-])ncn1C	ZINC001128789049	776021681	/nfs/dbraw/zinc/02/16/81/776021681.db2.gz	CVJONSUVZYHTSR-UHFFFAOYSA-N	0	0	313.318	-1.537	20	5		DABDRN
O=[N+]([O-])c1nccnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC001169969432	776310521	/nfs/dbraw/zinc/31/05/21/776310521.db2.gz	HVZCSXGJPJRYJB-WPOWEPHSSA-N	0	0	302.243	-2.403	20	5		DABDRN
O=[N+]([O-])c1cccnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC001169971094	776320463	/nfs/dbraw/zinc/32/04/63/776320463.db2.gz	IQHTVNPNVXDSIN-UEWQFTGXSA-N	0	0	301.255	-1.798	20	5		DABDRN
O=[N+]([O-])c1cnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cn1	ZINC001169974988	776322991	/nfs/dbraw/zinc/32/29/91/776322991.db2.gz	CUIYUFYAVPHYRJ-GKKUVZKPSA-N	0	0	302.243	-2.403	20	5		DABDRN
O=[N+]([O-])c1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cnc1F	ZINC001169978004	776326390	/nfs/dbraw/zinc/32/63/90/776326390.db2.gz	SSMVZUPZHDGOQD-VCMDJLOCSA-N	0	0	319.245	-1.659	20	5		DABDRN
O=[N+]([O-])c1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cnc1F	ZINC001169978001	776326841	/nfs/dbraw/zinc/32/68/41/776326841.db2.gz	SSMVZUPZHDGOQD-UEWQFTGXSA-N	0	0	319.245	-1.659	20	5		DABDRN
NC(=O)NCC(=O)NCC1(Nc2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC001110043296	776347572	/nfs/dbraw/zinc/34/75/72/776347572.db2.gz	GWBSIZBIMRFUHO-UHFFFAOYSA-N	0	0	324.301	-1.304	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(C(=O)NC2(CS(C)(=O)=O)COC2)n1	ZINC001130777428	776532342	/nfs/dbraw/zinc/53/23/42/776532342.db2.gz	YHGYEMFTHUXTKI-UHFFFAOYSA-N	0	0	318.311	-1.128	20	5		DABDRN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCS(=O)(=O)CCO1	ZINC001135202458	776743050	/nfs/dbraw/zinc/74/30/50/776743050.db2.gz	CWLUENBUNBTXMU-UHFFFAOYSA-N	0	0	304.284	-1.020	20	5		DABDRN
COC(=O)CNC(=O)CNc1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001170947651	776787292	/nfs/dbraw/zinc/78/72/92/776787292.db2.gz	WXNCFRJMPIEAPN-UHFFFAOYSA-N	0	0	311.254	-1.210	20	5		DABDRN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCS(=O)(=O)C1	ZINC001290666544	777921777	/nfs/dbraw/zinc/92/17/77/777921777.db2.gz	GPSLODCOYUZSDE-SSDOTTSWSA-N	0	0	303.300	-1.263	20	5		DABDRN
O=C(CN1CCNC(=O)C1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001292718382	777943565	/nfs/dbraw/zinc/94/35/65/777943565.db2.gz	PRICQOJRTSNXTR-RKDXNWHRSA-N	0	0	313.314	-2.684	20	5		DABDRN
Cn1ncc(CCC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001292718775	777943798	/nfs/dbraw/zinc/94/37/98/777943798.db2.gz	SZDGAZZEMXSNAP-NXEZZACHSA-N	0	0	310.314	-1.355	20	5		DABDRN
COc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C	ZINC001292717758	777943821	/nfs/dbraw/zinc/94/38/21/777943821.db2.gz	LCADYVFQCDDHOI-VXNVDRBHSA-N	0	0	311.298	-1.060	20	5		DABDRN
CCCS(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001292721561	777946038	/nfs/dbraw/zinc/94/60/38/777946038.db2.gz	CNLGFZMPBOTCKJ-RKDXNWHRSA-N	0	0	321.355	-1.291	20	5		DABDRN
CCNC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001295193022	777997578	/nfs/dbraw/zinc/99/75/78/777997578.db2.gz	YSPFQNJZASUQGI-UTINFBMNSA-N	0	0	312.326	-1.059	20	5		DABDRN
O=C(CNC(=O)C1CC1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297047276	778034424	/nfs/dbraw/zinc/03/44/24/778034424.db2.gz	LNHWJHAMGBUXEF-NXEZZACHSA-N	0	0	310.310	-1.495	20	5		DABDRN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC2(C1)NC(=O)NC2=O	ZINC001305458079	778100409	/nfs/dbraw/zinc/10/04/09/778100409.db2.gz	QNJZFGPCJABRST-UHFFFAOYSA-N	0	0	308.254	-1.398	20	5		DABDRN
NC(=O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1=O	ZINC001307830867	778102632	/nfs/dbraw/zinc/10/26/32/778102632.db2.gz	GEGAZMFGQWVVIZ-UHFFFAOYSA-N	0	0	323.309	-1.614	20	5		DABDRN
O=[N+]([O-])c1ccn(CCN2CCN3[C@H](CNS3(=O)=O)C2)n1	ZINC001308096655	778103254	/nfs/dbraw/zinc/10/32/54/778103254.db2.gz	HTMRHWFACQZLPN-SECBINFHSA-N	0	0	316.343	-1.375	20	5		DABDRN
CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1CO	ZINC001151359752	779676748	/nfs/dbraw/zinc/67/67/48/779676748.db2.gz	PNBWBEKYRTVKDQ-JTQLQIEISA-N	0	0	310.310	-1.109	20	5		DABDRN
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(CO)COCCN1	ZINC001151818123	779683899	/nfs/dbraw/zinc/68/38/99/779683899.db2.gz	YCQVUCQDFKNSEW-GFCCVEGCSA-N	0	0	313.314	-1.433	20	5		DABDRN
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CNC(=O)CN(CC(=O)NC)C(=O)c1c([N+](=O)[O-])cnn1C	ZINC001558213240	930087047	/nfs/dbraw/zinc/08/70/47/930087047.db2.gz	VVHAXYFSIMRCEK-UHFFFAOYSA-N	0	0	312.286	-1.738	20	5		DABDRN
Cn1c(=O)cc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]c1=O	ZINC001558583496	930087590	/nfs/dbraw/zinc/08/75/90/930087590.db2.gz	YFPDQOFYERMKFJ-DJLDLDEBSA-N	0	0	323.309	-1.154	20	5		DABDRN
Cc1nn(C)c(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001558984511	930089804	/nfs/dbraw/zinc/08/98/04/930089804.db2.gz	AVOBCMKMWJQIEH-KNVOCYPGSA-N	0	0	307.266	-1.019	20	5		DABDRN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(CO)(CO)C2)nc1	ZINC001561925801	930094220	/nfs/dbraw/zinc/09/42/20/930094220.db2.gz	VFKIQIIUNMBGSJ-UHFFFAOYSA-N	0	0	303.296	-1.035	20	5		DABDRN
O=C([O-])[C@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC001594880779	954429968	/nfs/dbraw/zinc/42/99/68/954429968.db2.gz	YQXMXEFNUCRLNH-KOLCDFICSA-N	0	0	300.271	-1.015	20	5		DABDRN
COC(=O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000359811011	545641596	/nfs/dbraw/zinc/64/15/96/545641596.db2.gz	VTNKIASJHMEBMQ-UHFFFAOYSA-N	0	0	312.286	-1.497	20	5		DABDRN
CS(=O)(=O)NCCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000044706854	372762641	/nfs/dbraw/zinc/76/26/41/372762641.db2.gz	MFXDPMFQHQOHAM-UHFFFAOYSA-N	0	0	305.316	-1.153	20	5		DABDRN
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000584062884	372792337	/nfs/dbraw/zinc/79/23/37/372792337.db2.gz	APESKANKSNGJOH-VXNVDRBHSA-N	0	0	303.296	-1.179	20	5		DABDRN
CS(=O)(=O)NC1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000600328069	372804312	/nfs/dbraw/zinc/80/43/12/372804312.db2.gz	XKBXJNLOZINFBY-UHFFFAOYSA-N	0	0	317.327	-1.059	20	5		DABDRN
NS(=O)(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176202151	372846683	/nfs/dbraw/zinc/84/66/83/372846683.db2.gz	YOAKPRUUMQNVDI-UHFFFAOYSA-N	0	0	304.332	-1.388	20	5		DABDRN
CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000358898151	372864811	/nfs/dbraw/zinc/86/48/11/372864811.db2.gz	ZKRFXXNPIXSSSL-SSDOTTSWSA-N	0	0	303.296	-1.020	20	5		DABDRN
O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CCCS1(=O)=O	ZINC000147580025	372891646	/nfs/dbraw/zinc/89/16/46/372891646.db2.gz	QIHHQFAUGUGUAP-UHFFFAOYSA-N	0	0	317.327	-1.057	20	5		DABDRN
CS(=O)(=O)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000593275484	372979699	/nfs/dbraw/zinc/97/96/99/372979699.db2.gz	VKWXECNNFWIPEO-MRVPVSSYSA-N	0	0	317.327	-1.059	20	5		DABDRN
COC(=O)c1nc(NCCO)nc(NCCO)c1[N+](=O)[O-]	ZINC000596051946	373010889	/nfs/dbraw/zinc/01/08/89/373010889.db2.gz	UCUGVCRIVCXQMQ-UHFFFAOYSA-N	0	0	301.259	-2.176	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCCC[NH3+])n1	ZINC000599110212	373034256	/nfs/dbraw/zinc/03/42/56/373034256.db2.gz	LCPQIZPTZLDFGM-UHFFFAOYSA-N	0	0	307.332	-1.028	20	5		DABDRN
NS(=O)(=O)c1ccc(N2C[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-]	ZINC000599124857	373036722	/nfs/dbraw/zinc/03/67/22/373036722.db2.gz	BEMQDOAPHIWNKS-IUCAKERBSA-N	0	0	303.296	-1.216	20	5		DABDRN
CO[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1O	ZINC000599320782	373038597	/nfs/dbraw/zinc/03/85/97/373038597.db2.gz	GHGJMTRPUUISOF-HTQZYQBOSA-N	0	0	306.300	-1.292	20	5		DABDRN
CN(C)S(=O)(=O)NCC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000597410085	373016662	/nfs/dbraw/zinc/01/66/62/373016662.db2.gz	IEOOJIXTLHAIST-UHFFFAOYSA-N	0	0	320.331	-1.697	20	5		DABDRN
NC(=O)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000597586079	373020549	/nfs/dbraw/zinc/02/05/49/373020549.db2.gz	LIMXNTWLULKWQL-QMMMGPOBSA-N	0	0	311.250	-1.058	20	5		DABDRN
NC(=O)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000597586078	373020860	/nfs/dbraw/zinc/02/08/60/373020860.db2.gz	LIMXNTWLULKWQL-MRVPVSSYSA-N	0	0	311.250	-1.058	20	5		DABDRN
CNC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000342823177	373131470	/nfs/dbraw/zinc/13/14/70/373131470.db2.gz	VMNJNBCSMIHWPK-UHFFFAOYSA-N	0	0	322.325	-1.043	20	5		DABDRN
O=C(CO)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000294587498	373263470	/nfs/dbraw/zinc/26/34/70/373263470.db2.gz	BWTRKQKUYCCQOI-UHFFFAOYSA-N	0	0	303.296	-1.018	20	5		DABDRN
COC(=O)c1cn(CC(=O)NCCn2cc([N+](=O)[O-])cn2)nn1	ZINC000269125977	373289350	/nfs/dbraw/zinc/28/93/50/373289350.db2.gz	XPDLNHZTCKPIFO-UHFFFAOYSA-N	0	0	323.269	-1.014	20	5		DABDRN
COC(=O)c1cc(C(=O)NC[C@H](O)C(N)=O)cc([N+](=O)[O-])c1	ZINC000618923401	373304975	/nfs/dbraw/zinc/30/49/75/373304975.db2.gz	IRIOJOWRPUSUPR-VIFPVBQESA-N	0	0	311.250	-1.043	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](CO)CN1CCOCC1	ZINC000619871152	373650910	/nfs/dbraw/zinc/65/09/10/373650910.db2.gz	ZHQBAOZCSIUYIO-JTQLQIEISA-N	0	0	313.314	-1.399	20	5		DABDRN
NC(=O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000018956403	373606710	/nfs/dbraw/zinc/60/67/10/373606710.db2.gz	RIFPHUUAOKGUGG-UHFFFAOYSA-N	0	0	306.234	-1.208	20	5		DABDRN
O=[N+]([O-])c1ccc(NC[C@H](O)CO)nc1NC[C@H](O)CO	ZINC000277765446	373661605	/nfs/dbraw/zinc/66/16/05/373661605.db2.gz	KTFNVVANIQQNIC-YUMQZZPRSA-N	0	0	302.287	-1.480	20	5		DABDRN
COCCN1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000282396328	373666837	/nfs/dbraw/zinc/66/68/37/373666837.db2.gz	DZNARZOXPVOVFY-LLVKDONJSA-N	0	0	313.314	-1.100	20	5		DABDRN
CNS(=O)(=O)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000600665370	373688594	/nfs/dbraw/zinc/68/85/94/373688594.db2.gz	LXBCFXAISUSGAA-UHFFFAOYSA-N	0	0	305.316	-1.153	20	5		DABDRN
NS(=O)(=O)CCOCCNC(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000353326791	373690110	/nfs/dbraw/zinc/69/01/10/373690110.db2.gz	LJUCPZSFACMKIS-UHFFFAOYSA-N	0	0	306.300	-1.042	20	5		DABDRN
Cc1nc(NC[C@@H](O)CO)nc(NC[C@H](O)CO)c1[N+](=O)[O-]	ZINC000275800010	130387996	/nfs/dbraw/zinc/38/79/96/130387996.db2.gz	JZQCPZMEZHWAAJ-JGVFFNPUSA-N	0	0	317.302	-1.777	20	5		DABDRN
O=[N+]([O-])c1ccc(NC[C@H](O)CO)nc1NC[C@@H](O)CO	ZINC000277765435	130637090	/nfs/dbraw/zinc/63/70/90/130637090.db2.gz	KTFNVVANIQQNIC-JGVFFNPUSA-N	0	0	302.287	-1.480	20	5		DABDRN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)CO)CC1	ZINC000340200945	131152181	/nfs/dbraw/zinc/15/21/81/131152181.db2.gz	GLQCOAAQHPXMDJ-UHFFFAOYSA-N	0	0	309.282	-1.270	20	5		DABDRN
O=C(CO)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000340577902	132028307	/nfs/dbraw/zinc/02/83/07/132028307.db2.gz	JKLRJRWCJFIUDJ-UHFFFAOYSA-N	0	0	324.293	-1.580	20	5		DABDRN
NS(=O)(=O)c1ccc(N2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1	ZINC000433806331	409337546	/nfs/dbraw/zinc/33/75/46/409337546.db2.gz	RZXIMYZHARSUFL-AOOOYVTPSA-N	0	0	303.296	-1.216	20	5		DABDRN
COc1ccc(S(=O)(=O)N[C@H](CO)C(N)=O)c([N+](=O)[O-])c1	ZINC000352604110	409680598	/nfs/dbraw/zinc/68/05/98/409680598.db2.gz	SHCRQAQTRGZJHE-SSDOTTSWSA-N	0	0	319.295	-1.272	20	5		DABDRN
NC(=O)[C@H](CO)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000352627240	409681075	/nfs/dbraw/zinc/68/10/75/409681075.db2.gz	TUUBUSDOIRFFHY-VIFPVBQESA-N	0	0	317.323	-1.097	20	5		DABDRN
COC[C@H](C(N)=O)N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000354604413	409681141	/nfs/dbraw/zinc/68/11/41/409681141.db2.gz	VLGZQHIFDFXOBO-SECBINFHSA-N	0	0	312.282	-1.285	20	5		DABDRN
CNc1nccc(C(=O)NCCNS(C)(=O)=O)c1[N+](=O)[O-]	ZINC000553096488	409752017	/nfs/dbraw/zinc/75/20/17/409752017.db2.gz	QJKJXUFFMSMJMA-UHFFFAOYSA-N	0	0	317.327	-0.690	20	5		DABDRN
CNc1nccc(C(=O)NCCC(=O)NC(N)=O)c1[N+](=O)[O-]	ZINC000583330866	409752365	/nfs/dbraw/zinc/75/23/65/409752365.db2.gz	MPCOXINWUSFVKE-UHFFFAOYSA-N	0	0	310.270	-0.654	20	5		DABDRN
CNc1nccc(C(=O)N2CCO[C@H](C(N)=O)C2)c1[N+](=O)[O-]	ZINC000553073794	409752390	/nfs/dbraw/zinc/75/23/90/409752390.db2.gz	ZUNHDKKTZJSMHM-QMMMGPOBSA-N	0	0	309.282	-0.642	20	5		DABDRN
CNc1nccc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000570056130	409753072	/nfs/dbraw/zinc/75/30/72/409753072.db2.gz	OLYCRDGZIRXHRA-ZCFIWIBFSA-N	0	0	317.327	-0.562	20	5		DABDRN
CNc1nccc(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000565491608	409754914	/nfs/dbraw/zinc/75/49/14/409754914.db2.gz	MEGXBKOPLYMOES-OCAPTIKFSA-N	0	0	319.277	-0.624	20	5		DABDRN
CNc1nccc(C(=O)N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-]	ZINC000583272419	409755166	/nfs/dbraw/zinc/75/51/66/409755166.db2.gz	JSIJEBGZESSIIL-UHFFFAOYSA-N	0	0	307.266	-0.528	20	5		DABDRN
CNc1nccc(C(=O)NCC(=O)NCCOC)c1[N+](=O)[O-]	ZINC000563971319	409755237	/nfs/dbraw/zinc/75/52/37/409755237.db2.gz	OSLAGLIVYLZSDS-UHFFFAOYSA-N	0	0	311.298	-0.476	20	5		DABDRN
Nc1nccc(C(=O)N2CCN(C(=O)CO)CC2)c1[N+](=O)[O-]	ZINC000548088727	409805272	/nfs/dbraw/zinc/80/52/72/409805272.db2.gz	AGGTZIPLXXZLGW-UHFFFAOYSA-N	0	0	309.282	-1.151	20	5		DABDRN
Nc1nc(N2CCC[C@]3(C2)NC(=O)NC3=O)ncc1[N+](=O)[O-]	ZINC000432935954	409806618	/nfs/dbraw/zinc/80/66/18/409806618.db2.gz	FUNOWOHGDYFBSX-LLVKDONJSA-N	0	0	307.270	-0.855	20	5		DABDRN
Nc1nc(NC[C@@H]2CS(=O)(=O)CCO2)ncc1[N+](=O)[O-]	ZINC000351502399	409807160	/nfs/dbraw/zinc/80/71/60/409807160.db2.gz	LKTUOQPTWDNTMG-ZCFIWIBFSA-N	0	0	303.300	-1.386	20	5		DABDRN
CNC(=O)[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1	ZINC000548745332	409807359	/nfs/dbraw/zinc/80/73/59/409807359.db2.gz	WEBGWVKLRXQZQR-MRVPVSSYSA-N	0	0	309.282	-0.841	20	5		DABDRN
Nc1nccc(C(=O)NCC(=O)N2CCOCC2)c1[N+](=O)[O-]	ZINC000548058390	409807842	/nfs/dbraw/zinc/80/78/42/409807842.db2.gz	LPIAXFNTLQASND-UHFFFAOYSA-N	0	0	309.282	-0.839	20	5		DABDRN
COC(=O)Cn1cc(CNc2ncc([N+](=O)[O-])c(N)n2)nn1	ZINC000441959933	409808018	/nfs/dbraw/zinc/80/80/18/409808018.db2.gz	OUMRQIFQPYCUIU-UHFFFAOYSA-N	0	0	308.258	-1.235	20	5		DABDRN
NC(=O)CN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1=O	ZINC000515071851	409809454	/nfs/dbraw/zinc/80/94/54/409809454.db2.gz	IFPSGRIYUQLYOI-UHFFFAOYSA-N	0	0	322.281	-1.658	20	5		DABDRN
CCn1cc(S(=O)(=O)N[C@H](CO)C(=O)OC)c([N+](=O)[O-])n1	ZINC000351958805	262556756	/nfs/dbraw/zinc/55/67/56/262556756.db2.gz	OOCCTKVCIHIKQT-ZCFIWIBFSA-N	0	0	322.299	-1.377	20	5		DABDRN
NC(=O)CN(CC(N)=O)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000352381521	262559910	/nfs/dbraw/zinc/55/99/10/262559910.db2.gz	AOMIAKTUHRUMJC-UHFFFAOYSA-N	0	0	324.249	-1.264	20	5		DABDRN
O=C1CN(c2ccc([N+](=O)[O-])c(N3CCNC(=O)C3)n2)CCN1	ZINC000276528077	263242227	/nfs/dbraw/zinc/24/22/27/263242227.db2.gz	HFRXRFOTUZMERV-UHFFFAOYSA-N	0	0	320.309	-1.138	20	5		DABDRN
CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000358884787	263243636	/nfs/dbraw/zinc/24/36/36/263243636.db2.gz	INWATCHLWOXMAF-VIFPVBQESA-N	0	0	303.296	-1.020	20	5		DABDRN
Cn1nc([N+](=O)[O-])cc1C(=O)NCCCN1CCNC(=O)C1	ZINC000360635129	263258288	/nfs/dbraw/zinc/25/82/88/263258288.db2.gz	JDYOHUFSYPMJNL-UHFFFAOYSA-N	0	0	310.314	-1.120	20	5		DABDRN
O=c1[nH]nc2n1CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000358805258	263258652	/nfs/dbraw/zinc/25/86/52/263258652.db2.gz	KUCJPDRQSXTRIN-VIFPVBQESA-N	0	0	309.286	-1.035	20	5		DABDRN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)C(N)=O	ZINC000341740443	263265824	/nfs/dbraw/zinc/26/58/24/263265824.db2.gz	CVEGSCYXZALSQW-OIBJUYFYSA-N	0	0	324.293	-1.325	20	5		DABDRN
NS(=O)(=O)c1cccc(NCC(=O)NCCO)c1[N+](=O)[O-]	ZINC000353277590	263282523	/nfs/dbraw/zinc/28/25/23/263282523.db2.gz	PBDCGWRERBKMAS-UHFFFAOYSA-N	0	0	318.311	-1.237	20	5		DABDRN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CO)C(N)=O	ZINC000352630767	263289726	/nfs/dbraw/zinc/28/97/26/263289726.db2.gz	QSUNLFLPCGMXQL-SSDOTTSWSA-N	0	0	319.295	-1.272	20	5		DABDRN
Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCOCC1	ZINC000425295036	263290884	/nfs/dbraw/zinc/29/08/84/263290884.db2.gz	OIEAFXBZJKAWCI-SECBINFHSA-N	0	0	313.314	-1.249	20	5		DABDRN
CCS(=O)(=O)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000298402004	263296500	/nfs/dbraw/zinc/29/65/00/263296500.db2.gz	HEVLXPGBWMOYJQ-UHFFFAOYSA-N	0	0	305.316	-1.153	20	5		DABDRN
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000352427499	263299705	/nfs/dbraw/zinc/29/97/05/263299705.db2.gz	HYZSVABWUYRGME-QMMMGPOBSA-N	0	0	324.297	-1.215	20	5		DABDRN
CCn1cc(S(=O)(=O)N[C@H]2CNC(=O)C2)c([N+](=O)[O-])n1	ZINC000444206303	263305656	/nfs/dbraw/zinc/30/56/56/263305656.db2.gz	QHVQCWMOWXAGDA-ZCFIWIBFSA-N	0	0	303.300	-1.022	20	5		DABDRN
CNC(=O)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000359609675	263317195	/nfs/dbraw/zinc/31/71/95/263317195.db2.gz	YKVIGHNFOPWGDB-JTQLQIEISA-N	0	0	324.293	-1.270	20	5		DABDRN
NC(=O)NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001195762133	782079113	/nfs/dbraw/zinc/07/91/13/782079113.db2.gz	XBWHFBFLWAVSGQ-RKDXNWHRSA-N	0	0	313.314	-1.619	20	5		DABDRN
Cn1cc([N+](=O)[O-])cc1C(=O)NCCOCCS(N)(=O)=O	ZINC000556854887	331741357	/nfs/dbraw/zinc/74/13/57/331741357.db2.gz	RAYQIKFQJUTOOY-UHFFFAOYSA-N	0	0	320.327	-1.032	20	5		DABDRN
CN1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1	ZINC000547777107	341232102	/nfs/dbraw/zinc/23/21/02/341232102.db2.gz	QCEYXYGMPAEEEJ-SNVBAGLBSA-N	0	0	321.293	-1.214	20	5		DABDRN
COC(=O)CNC(=O)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000552013507	341360366	/nfs/dbraw/zinc/36/03/66/341360366.db2.gz	MPNOLHQVPNCGLA-UHFFFAOYSA-N	0	0	312.238	-1.286	20	5		DABDRN
COC(=O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000565200468	341519950	/nfs/dbraw/zinc/51/99/50/341519950.db2.gz	SFDPKOKIZHLZTQ-UHFFFAOYSA-N	0	0	311.254	-1.409	20	5		DABDRN
COC(=O)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1	ZINC000338367251	523970523	/nfs/dbraw/zinc/97/05/23/523970523.db2.gz	CQAOGYJAMHIGNF-HTQZYQBOSA-N	0	0	313.270	-1.025	20	5		DABDRN
NS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000265287296	527298516	/nfs/dbraw/zinc/29/85/16/527298516.db2.gz	JSSFOMMZPFFSMD-UHFFFAOYSA-N	0	0	324.340	-1.334	20	5		DABDRN
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285032439	536314627	/nfs/dbraw/zinc/31/46/27/536314627.db2.gz	FKQGVCSMPFUYDF-SSDOTTSWSA-N	0	0	311.254	-1.178	20	5		DABDRN
Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)CNC1=O	ZINC000359806673	545642078	/nfs/dbraw/zinc/64/20/78/545642078.db2.gz	KFSOTEFEWHVTCX-UHFFFAOYSA-N	0	0	308.254	-1.146	20	5		DABDRN
C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C(N)=O)O1	ZINC000347228124	545761443	/nfs/dbraw/zinc/76/14/43/545761443.db2.gz	XAVUAWHSRRWRFE-DVVUODLYSA-N	0	0	313.314	-1.273	20	5		DABDRN
CS(=O)(=O)N[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000342447638	545850868	/nfs/dbraw/zinc/85/08/68/545850868.db2.gz	YVKAYMBSDIKZHN-ZCFIWIBFSA-N	0	0	302.316	-0.905	20	5		DABDRN
CS(=O)(=O)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001010572971	662337509	/nfs/dbraw/zinc/33/75/09/662337509.db2.gz	QMOZUZUQTFHJSF-RKDXNWHRSA-N	0	0	319.339	-1.633	20	5		DABDRN
CS(=O)(=O)N1CCN(CC(=O)OCCC[N+](=O)[O-])CC1	ZINC000860920785	662346031	/nfs/dbraw/zinc/34/60/31/662346031.db2.gz	HQDCEPZYRVIQHK-UHFFFAOYSA-N	0	0	309.344	-1.226	20	5		DABDRN
Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000973235828	662507802	/nfs/dbraw/zinc/50/78/02/662507802.db2.gz	GICIYDLXAAYONG-FNCVBFRFSA-N	0	0	308.298	-1.143	20	5		DABDRN
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Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001025775914	662531337	/nfs/dbraw/zinc/53/13/37/662531337.db2.gz	QHADBTFTXJLYRA-DZEUPHNYSA-N	0	0	307.314	-1.578	20	5		DABDRN
Cc1n[nH]nc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976477654	662585870	/nfs/dbraw/zinc/58/58/70/662585870.db2.gz	OGCUDHNKZZEOIN-DZEUPHNYSA-N	0	0	320.309	-1.035	20	5		DABDRN
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Cn1[nH]c(CN2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O	ZINC000981137103	662641748	/nfs/dbraw/zinc/64/17/48/662641748.db2.gz	MSJJEDOUXWVQRQ-NXEZZACHSA-N	0	0	324.341	-1.192	20	5		DABDRN
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Cc1nnc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1	ZINC000991294902	663135337	/nfs/dbraw/zinc/13/53/37/663135337.db2.gz	ILEACQLJYXDXBS-RKDXNWHRSA-N	0	0	308.298	-1.352	20	5		DABDRN
Cc1nnc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1	ZINC000991295836	663135535	/nfs/dbraw/zinc/13/55/35/663135535.db2.gz	JXEAMKFTGMDKAO-RKDXNWHRSA-N	0	0	309.282	-1.087	20	5		DABDRN
Cn1nccc1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991298513	663136411	/nfs/dbraw/zinc/13/64/11/663136411.db2.gz	PZQVDAZEIGQECD-GHMZBOCLSA-N	0	0	307.310	-1.045	20	5		DABDRN
Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncc1=O	ZINC000991299175	663136413	/nfs/dbraw/zinc/13/64/13/663136413.db2.gz	SHXCWFQEJKTRID-PSASIEDQSA-N	0	0	321.293	-1.614	20	5		DABDRN
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CCNS(=O)(=O)CCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000731646665	663255401	/nfs/dbraw/zinc/25/54/01/663255401.db2.gz	QGVLJUBPZDHVLB-UHFFFAOYSA-N	0	0	305.316	-1.153	20	5		DABDRN
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cn(C)nn2)C1	ZINC000954239786	663303277	/nfs/dbraw/zinc/30/32/77/663303277.db2.gz	IHXOUWWQHBVNSH-PSASIEDQSA-N	0	0	308.298	-1.237	20	5		DABDRN
Cn1nnc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC000941007769	663383014	/nfs/dbraw/zinc/38/30/14/663383014.db2.gz	SEINDTOSJALMIK-RKDXNWHRSA-N	0	0	323.313	-1.450	20	5		DABDRN
NC(=O)CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1	ZINC000944890689	663468467	/nfs/dbraw/zinc/46/84/67/663468467.db2.gz	ISIHICCBXPGTJZ-NXEZZACHSA-N	0	0	324.337	-1.022	20	5		DABDRN
NC(=O)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2	ZINC000944936105	663469029	/nfs/dbraw/zinc/46/90/29/663469029.db2.gz	MXYKWCBMNVJGRR-RKDXNWHRSA-N	0	0	310.310	-1.412	20	5		DABDRN
Cn1cccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1=O	ZINC000997050086	663501721	/nfs/dbraw/zinc/50/17/21/663501721.db2.gz	NWXBDCJVIRGLHR-GHMZBOCLSA-N	0	0	320.305	-1.009	20	5		DABDRN
Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncc1=O	ZINC000997525381	663520991	/nfs/dbraw/zinc/52/09/91/663520991.db2.gz	NHGYTWWSTWTEDO-PSASIEDQSA-N	0	0	321.293	-1.614	20	5		DABDRN
NC(=O)c1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1	ZINC000998446545	663542639	/nfs/dbraw/zinc/54/26/39/663542639.db2.gz	RVFVVIVJIJBLHS-PSASIEDQSA-N	0	0	321.293	-1.281	20	5		DABDRN
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Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]c1=O	ZINC000999064969	663556009	/nfs/dbraw/zinc/55/60/09/663556009.db2.gz	XAQQDVCLTAFJFS-VXNVDRBHSA-N	0	0	309.282	-1.269	20	5		DABDRN
NC(=O)c1coc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1	ZINC000999745043	663563207	/nfs/dbraw/zinc/56/32/07/663563207.db2.gz	CSTAHCQVQSBNPY-RKDXNWHRSA-N	0	0	322.277	-1.016	20	5		DABDRN
Nc1nccnc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001245832	663598761	/nfs/dbraw/zinc/59/87/61/663598761.db2.gz	BTFDURPCRDHYTI-RKDXNWHRSA-N	0	0	320.309	-1.088	20	5		DABDRN
Cn1nncc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001659526	663604455	/nfs/dbraw/zinc/60/44/55/663604455.db2.gz	NSIRKPWOCSSMOH-RKDXNWHRSA-N	0	0	308.298	-1.332	20	5		DABDRN
Cn1ncc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001001805675	663610526	/nfs/dbraw/zinc/61/05/26/663610526.db2.gz	IDPXZJAWXSRDLZ-PSASIEDQSA-N	0	0	308.298	-1.332	20	5		DABDRN
Nc1nccnc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001796518	663610765	/nfs/dbraw/zinc/61/07/65/663610765.db2.gz	RDVCXLDSIXEPHW-RKDXNWHRSA-N	0	0	320.309	-1.088	20	5		DABDRN
Cc1n[nH]nc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001799569	663610826	/nfs/dbraw/zinc/61/08/26/663610826.db2.gz	OXUQAEINLHSGIW-RKDXNWHRSA-N	0	0	308.298	-1.033	20	5		DABDRN
Cn1oc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O	ZINC001001797028	663610859	/nfs/dbraw/zinc/61/08/59/663610859.db2.gz	VFKVPIPHPXCHKC-RKDXNWHRSA-N	0	0	324.293	-1.168	20	5		DABDRN
Cc1c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nnn1C	ZINC001001795284	663610877	/nfs/dbraw/zinc/61/08/77/663610877.db2.gz	FKVONNBIBHSWKK-NXEZZACHSA-N	0	0	322.325	-1.023	20	5		DABDRN
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O=C(CCn1ccnn1)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001795622	663611053	/nfs/dbraw/zinc/61/10/53/663611053.db2.gz	IQGDYQOSUUJNTI-GHMZBOCLSA-N	0	0	322.325	-1.092	20	5		DABDRN
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CCOC(=O)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC000741224987	663794385	/nfs/dbraw/zinc/79/43/85/663794385.db2.gz	OBTYUYTVBZDEPX-MRVPVSSYSA-N	0	0	313.270	-1.023	20	5		DABDRN
COC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(N)=O	ZINC000760891813	663810122	/nfs/dbraw/zinc/81/01/22/663810122.db2.gz	YZRABFGOBATGGR-JTQLQIEISA-N	0	0	324.293	-1.059	20	5		DABDRN
Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCNC(=O)C1	ZINC000766965974	663814347	/nfs/dbraw/zinc/81/43/47/663814347.db2.gz	MBTXDWHEZPARCI-UHFFFAOYSA-N	0	0	311.254	-1.557	20	5		DABDRN
CNC(=O)[C@H](O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000788181250	663830711	/nfs/dbraw/zinc/83/07/11/663830711.db2.gz	APTHUTDJNVUTPN-SNVBAGLBSA-N	0	0	324.293	-1.452	20	5		DABDRN
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NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000796274576	663838247	/nfs/dbraw/zinc/83/82/47/663838247.db2.gz	NINFVAWXVBRYRA-UHFFFAOYSA-N	0	0	317.279	-1.098	20	5		DABDRN
NC(=O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000796062967	663838417	/nfs/dbraw/zinc/83/84/17/663838417.db2.gz	SISULQIIHWRXBF-LURJTMIESA-N	0	0	307.259	-1.142	20	5		DABDRN
CNC(=O)[C@@H](O)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1	ZINC000808046872	663846993	/nfs/dbraw/zinc/84/69/93/663846993.db2.gz	ASCMFOLXTPNKAP-VIFPVBQESA-N	0	0	318.311	-1.239	20	5		DABDRN
CNC(=O)[C@H](O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000809838372	663848604	/nfs/dbraw/zinc/84/86/04/663848604.db2.gz	WMULXDPNZANQAG-ZCFIWIBFSA-N	0	0	304.284	-1.625	20	5		DABDRN
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COc1ncnc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1[N+](=O)[O-]	ZINC001157275677	779751080	/nfs/dbraw/zinc/75/10/80/779751080.db2.gz	GHYFUSOLWRGMDJ-GCXDCGAKSA-N	0	0	300.271	-1.092	20	5		DABDRN
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Cc1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1[N+](=O)[O-]	ZINC001158969718	779783443	/nfs/dbraw/zinc/78/34/43/779783443.db2.gz	GCVYTZMHPRMUPW-YNVCDSSISA-N	0	0	315.282	-1.490	20	5		DABDRN
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COc1cnc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1	ZINC001283004620	780732743	/nfs/dbraw/zinc/73/27/43/780732743.db2.gz	GYIFTVZDTINPPI-RKDXNWHRSA-N	0	0	309.282	-1.004	20	5		DABDRN
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CC(=O)N(C)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001093526494	781512469	/nfs/dbraw/zinc/51/24/69/781512469.db2.gz	ICUAESGHDIRSPK-UHFFFAOYSA-N	0	0	311.302	-1.027	20	5		DABDRN
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CN(C)C(=O)CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001094160341	781531480	/nfs/dbraw/zinc/53/14/80/781531480.db2.gz	KLYZGQLIMZVWHW-UHFFFAOYSA-N	0	0	311.302	-1.027	20	5		DABDRN
NC(=O)NCC(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1	ZINC001094297913	781541680	/nfs/dbraw/zinc/54/16/80/781541680.db2.gz	UJBJWCOXZLEJRK-UHFFFAOYSA-N	0	0	312.290	-1.447	20	5		DABDRN
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NC(=O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC001318230632	916379336	/nfs/dbraw/zinc/37/93/36/916379336.db2.gz	UTRNGEZEFFFTDM-SECBINFHSA-N	0	0	310.266	-1.531	20	5		DABDRN
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NC(=O)CN1CCC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC001318771375	916407083	/nfs/dbraw/zinc/40/70/83/916407083.db2.gz	HBCYIZPDTGDPNB-VIFPVBQESA-N	0	0	310.314	-1.143	20	5		DABDRN
CCOCCNC(=O)COC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001319013947	916416702	/nfs/dbraw/zinc/41/67/02/916416702.db2.gz	ILIBOCQOSSRCOB-UHFFFAOYSA-N	0	0	301.259	-1.118	20	5		DABDRN
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C[C@@H](O)C(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001319638052	916447023	/nfs/dbraw/zinc/44/70/23/916447023.db2.gz	GTWWHXFVWHWERR-MRVPVSSYSA-N	0	0	312.286	-1.762	20	5		DABDRN
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Cn1cc([N+](=O)[O-])c(C(=O)NCCCNS(C)(=O)=O)n1	ZINC001319768245	916449901	/nfs/dbraw/zinc/44/99/01/916449901.db2.gz	UXEJONGVYJFBDO-UHFFFAOYSA-N	0	0	305.316	-1.003	20	5		DABDRN
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Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1	ZINC001320028292	916464100	/nfs/dbraw/zinc/46/41/00/916464100.db2.gz	SOVVOOLCEQBPFI-SSDOTTSWSA-N	0	0	308.254	-1.296	20	5		DABDRN
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Cn1ccnc1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001323628457	916738675	/nfs/dbraw/zinc/73/86/75/916738675.db2.gz	YTOWZUXETXXQBS-UHFFFAOYSA-N	0	0	321.297	-1.043	20	5		DABDRN
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O=[N+]([O-])c1cccnc1S(=O)(=O)N1C[C@H](O)[C@H](CO)C1	ZINC001327034979	916983198	/nfs/dbraw/zinc/98/31/98/916983198.db2.gz	FBWRHPDAGXORJT-CBAPKCEASA-N	0	0	303.296	-1.037	20	5		DABDRN
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O=[N+]([O-])c1ncccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1	ZINC001327406188	917012688	/nfs/dbraw/zinc/01/26/88/917012688.db2.gz	WFUSKTIACYVJJR-SFYZADRCSA-N	0	0	303.296	-1.037	20	5		DABDRN
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CNS(=O)(=O)CCCNC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001348423622	917944516	/nfs/dbraw/zinc/94/45/16/917944516.db2.gz	UJEPOTRRQVHXCV-UHFFFAOYSA-N	0	0	305.316	-1.003	20	5		DABDRN
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NC(=O)C(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001352720110	918127286	/nfs/dbraw/zinc/12/72/86/918127286.db2.gz	YUVAUWLTPBUNAI-RKDXNWHRSA-N	0	0	313.314	-2.603	20	5		DABDRN
NC(=O)CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001354085418	918165675	/nfs/dbraw/zinc/16/56/75/918165675.db2.gz	FVMQQRJFSUKJTK-YANYRWCTSA-N	0	0	324.337	-1.120	20	5		DABDRN
CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN1CCOCC1	ZINC001355592564	918204112	/nfs/dbraw/zinc/20/41/12/918204112.db2.gz	ZKCADNGSMDISPB-GHMZBOCLSA-N	0	0	314.342	-1.442	20	5		DABDRN
CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1(C(N)=O)CC1	ZINC001356050691	918216720	/nfs/dbraw/zinc/21/67/20/918216720.db2.gz	INNGMEFFEDAQOB-RKDXNWHRSA-N	0	0	312.326	-1.118	20	5		DABDRN
CNC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001357217197	918274822	/nfs/dbraw/zinc/27/48/22/918274822.db2.gz	XRINVOUGKRRNKV-RKDXNWHRSA-N	0	0	315.330	-1.503	20	5		DABDRN
CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cncn1	ZINC001357224535	918275826	/nfs/dbraw/zinc/27/58/26/918275826.db2.gz	KKUMBACQQZWSST-NXEZZACHSA-N	0	0	310.314	-1.140	20	5		DABDRN
CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1nccn1	ZINC001357215604	918276496	/nfs/dbraw/zinc/27/64/96/918276496.db2.gz	BWSLLLYYSONZGC-NXEZZACHSA-N	0	0	310.314	-1.140	20	5		DABDRN
CC(=O)N1CC(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001357762447	918304664	/nfs/dbraw/zinc/30/46/64/918304664.db2.gz	GRRHWIMIUMJYPO-JDEDCZITSA-N	0	0	324.337	-1.082	20	5		DABDRN
Cn1nncc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001357774960	918306634	/nfs/dbraw/zinc/30/66/34/918306634.db2.gz	SUKRCPNGIAELMH-KHVQUVQLSA-N	0	0	308.298	-1.118	20	5		DABDRN
CCNC(=O)CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001358726618	918347609	/nfs/dbraw/zinc/34/76/09/918347609.db2.gz	LPVLYLOGICDIRP-NXEZZACHSA-N	0	0	312.326	-1.153	20	5		DABDRN
Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	ZINC001449952179	929602744	/nfs/dbraw/zinc/60/27/44/929602744.db2.gz	ZEFRSGOTESWZHP-OCAPTIKFSA-N	0	0	307.266	-1.169	20	5		DABDRN
CC(=O)N(C)CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001522839128	929706504	/nfs/dbraw/zinc/70/65/04/929706504.db2.gz	PRTXWMQPOBMRSE-NXEZZACHSA-N	0	0	300.315	-1.248	20	5		DABDRN
CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nnn(C)n1	ZINC001523406266	929727409	/nfs/dbraw/zinc/72/74/09/929727409.db2.gz	PBTRWFYKCOJWPL-HTQZYQBOSA-N	0	0	311.302	-1.546	20	5		DABDRN
CNC(=O)NCC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001523450099	929727986	/nfs/dbraw/zinc/72/79/86/929727986.db2.gz	IGVFDWMPHUYNGM-RKDXNWHRSA-N	0	0	315.330	-1.455	20	5		DABDRN
CN(CCNC(=O)C1CS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001528198000	929796552	/nfs/dbraw/zinc/79/65/52/929796552.db2.gz	CGGYJJNKWPZGIQ-RKDXNWHRSA-N	0	0	319.339	-1.729	20	5		DABDRN
O=C(Cn1nccn1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001533494154	929949711	/nfs/dbraw/zinc/94/97/11/929949711.db2.gz	RDMROAQMQMFLPO-UFLMBTITSA-N	0	0	308.298	-1.268	20	5		DABDRN
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CS(=O)(=O)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001542189414	930024776	/nfs/dbraw/zinc/02/47/76/930024776.db2.gz	UQJZWNZPYNOMHM-UHFFFAOYSA-N	0	0	303.296	-1.083	20	5		DABDRN
Cn1c(=O)cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]c1=O	ZINC001558583497	930088220	/nfs/dbraw/zinc/08/82/20/930088220.db2.gz	YFPDQOFYERMKFJ-IWSPIJDZSA-N	0	0	323.309	-1.154	20	5		DABDRN
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN2CCOC[C@]2(CO)C1	ZINC001558532599	930088464	/nfs/dbraw/zinc/08/84/64/930088464.db2.gz	LCWJTRHZMLTLNL-GFCCVEGCSA-N	0	0	311.298	-1.163	20	5		DABDRN
O=C([O-])[C@@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1	ZINC001594880780	954430281	/nfs/dbraw/zinc/43/02/81/954430281.db2.gz	YQXMXEFNUCRLNH-MWLCHTKSSA-N	0	0	300.271	-1.015	20	5		DABDRN
CS(=O)(=O)N[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000342381264	545683291	/nfs/dbraw/zinc/68/32/91/545683291.db2.gz	UGAQLFKZWDCWKJ-MRVPVSSYSA-N	0	0	317.327	-1.059	20	5		DABDRN
CNS(=O)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000440174654	545736443	/nfs/dbraw/zinc/73/64/43/545736443.db2.gz	NBLFPKKKZHEWSD-UHFFFAOYSA-N	0	0	318.311	-1.578	20	5		DABDRN
Cn1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1[N+](=O)[O-]	ZINC000578522687	372787282	/nfs/dbraw/zinc/78/72/82/372787282.db2.gz	SWWUMWAATAQCTH-HTRCEHHLSA-N	0	0	303.296	-1.179	20	5		DABDRN
NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](O)[C@@H](O)C1	ZINC000611193430	372842736	/nfs/dbraw/zinc/84/27/36/372842736.db2.gz	JEYPHRQQIFTWLM-DTORHVGOSA-N	0	0	303.296	-1.216	20	5		DABDRN
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COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000592917667	372977914	/nfs/dbraw/zinc/97/79/14/372977914.db2.gz	XZGLJYILXNJFTJ-HTQZYQBOSA-N	0	0	313.270	-1.431	20	5		DABDRN
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000592917682	372978067	/nfs/dbraw/zinc/97/80/67/372978067.db2.gz	XZGLJYILXNJFTJ-SFYZADRCSA-N	0	0	313.270	-1.431	20	5		DABDRN
COC(=O)[C@H]1C[C@H](O)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000592917683	372978547	/nfs/dbraw/zinc/97/85/47/372978547.db2.gz	XZGLJYILXNJFTJ-YUMQZZPRSA-N	0	0	313.270	-1.431	20	5		DABDRN
NS(=O)(=O)c1ccc(N2CC(O)(CO)C2)c([N+](=O)[O-])c1	ZINC000594581121	372991937	/nfs/dbraw/zinc/99/19/37/372991937.db2.gz	BLBUHRXUUCZNEA-UHFFFAOYSA-N	0	0	303.296	-1.214	20	5		DABDRN
NC(=O)[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOC1	ZINC000594492835	372992137	/nfs/dbraw/zinc/99/21/37/372992137.db2.gz	CDEMCRVEJJQLHO-JTQLQIEISA-N	0	0	316.295	-1.088	20	5		DABDRN
C[C@H]1C(=O)NCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599229711	373039154	/nfs/dbraw/zinc/03/91/54/373039154.db2.gz	IWUHUWLHSKWMJA-LURJTMIESA-N	0	0	303.300	-1.163	20	5		DABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(O)CC[N@H+](C)C2)n1	ZINC000599276746	373039318	/nfs/dbraw/zinc/03/93/18/373039318.db2.gz	BONHWZVATPQOAG-SNVBAGLBSA-N	0	0	319.343	-1.327	20	5		DABDRN
COCC1(O)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1	ZINC000599319816	373039494	/nfs/dbraw/zinc/03/94/94/373039494.db2.gz	LJBWEIFMRIZSEQ-UHFFFAOYSA-N	0	0	306.300	-1.290	20	5		DABDRN
C[C@@H]1C(=O)NCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599229712	373040911	/nfs/dbraw/zinc/04/09/11/373040911.db2.gz	IWUHUWLHSKWMJA-ZCFIWIBFSA-N	0	0	303.300	-1.163	20	5		DABDRN
Cn1c(N)c(C(=O)Cn2cnc([N+](=O)[O-])c2)c(=O)n(C)c1=O	ZINC000029210238	373298661	/nfs/dbraw/zinc/29/86/61/373298661.db2.gz	HDHMZZSMTWDZLR-UHFFFAOYSA-N	0	0	308.254	-1.346	20	5		DABDRN
Cc1cc(C(=O)NCC(=O)NC[C@@H](O)C(N)=O)ccc1[N+](=O)[O-]	ZINC000619255002	373307377	/nfs/dbraw/zinc/30/73/77/373307377.db2.gz	SEQXRCTWDXUBJO-SNVBAGLBSA-N	0	0	324.293	-1.405	20	5		DABDRN
C[C@H](O)C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000270819373	373439621	/nfs/dbraw/zinc/43/96/21/373439621.db2.gz	DKCWITAVFLSYJT-VIFPVBQESA-N	0	0	311.298	-1.157	20	5		DABDRN
C[C@H](O)C(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000270830141	373440647	/nfs/dbraw/zinc/44/06/47/373440647.db2.gz	LHLTWNVKLCLWLX-VIFPVBQESA-N	0	0	311.298	-1.157	20	5		DABDRN
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O=C(Cn1ccc([N+](=O)[O-])n1)N(CCO)CCOCCO	ZINC000600117940	373684539	/nfs/dbraw/zinc/68/45/39/373684539.db2.gz	XXTZEMMMVLTZOD-UHFFFAOYSA-N	0	0	302.287	-1.379	20	5		DABDRN
Cc1n[nH]c(C(=O)N2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-]	ZINC000600326518	373686906	/nfs/dbraw/zinc/68/69/06/373686906.db2.gz	REJNEWISBSOTSB-UHFFFAOYSA-N	0	0	303.300	-1.000	20	5		DABDRN
CN(C)S(=O)(=O)N1CC(NC(=O)c2[nH]ncc2[N+](=O)[O-])C1	ZINC000600707938	373688067	/nfs/dbraw/zinc/68/80/67/373688067.db2.gz	CELPGAQIBNVCEF-UHFFFAOYSA-N	0	0	318.315	-1.462	20	5		DABDRN
Cn1c(C(=O)N2CCN(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000040380836	373727107	/nfs/dbraw/zinc/72/71/07/373727107.db2.gz	CXYKHJHJCNAMLL-UHFFFAOYSA-N	0	0	317.327	-1.105	20	5		DABDRN
NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1	ZINC000040380838	183058892	/nfs/dbraw/zinc/05/88/92/183058892.db2.gz	FFTTYGPAJIPVAN-UHFFFAOYSA-N	0	0	303.300	-1.116	20	5		DABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCNC(=O)C1	ZINC000272629816	130048482	/nfs/dbraw/zinc/04/84/82/130048482.db2.gz	APJNXXGUKJHNPK-UHFFFAOYSA-N	0	0	323.309	-1.696	20	5		DABDRN
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2C[C@@H](O)[C@@H](O)C2)c1	ZINC000433797506	409336445	/nfs/dbraw/zinc/33/64/45/409336445.db2.gz	ARAYQPJSBBYWJA-AOOOYVTPSA-N	0	0	303.296	-1.216	20	5		DABDRN
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CN1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000444236729	409637647	/nfs/dbraw/zinc/63/76/47/409637647.db2.gz	JHQWSNAFGHVCHB-UHFFFAOYSA-N	0	0	310.314	-1.319	20	5		DABDRN
Cn1cnc([N+](=O)[O-])c1N1CCN(CCS(N)(=O)=O)CC1	ZINC000354242891	409680682	/nfs/dbraw/zinc/68/06/82/409680682.db2.gz	YACLVZNODPSYAT-UHFFFAOYSA-N	0	0	318.359	-1.261	20	5		DABDRN
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NC(=O)COCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000353191741	409682586	/nfs/dbraw/zinc/68/25/86/409682586.db2.gz	KKXHSXMVYOOBPC-UHFFFAOYSA-N	0	0	324.293	-1.057	20	5		DABDRN
CNc1nccc(C(=O)N2CCN(CC(N)=O)CC2)c1[N+](=O)[O-]	ZINC000573383781	409752498	/nfs/dbraw/zinc/75/24/98/409752498.db2.gz	GSMJLHVIPNYCGG-UHFFFAOYSA-N	0	0	322.325	-0.725	20	5		DABDRN
CNc1nccc(C(=O)N2CCO[C@@H](C(N)=O)C2)c1[N+](=O)[O-]	ZINC000553073793	409754307	/nfs/dbraw/zinc/75/43/07/409754307.db2.gz	ZUNHDKKTZJSMHM-MRVPVSSYSA-N	0	0	309.282	-0.642	20	5		DABDRN
CNc1nccc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)c1[N+](=O)[O-]	ZINC000567178977	409754324	/nfs/dbraw/zinc/75/43/24/409754324.db2.gz	VSICFVVZYCSKGS-SSDOTTSWSA-N	0	0	307.266	-0.481	20	5		DABDRN
CN(C)S(=O)(=O)N1CC(Nc2ncc([N+](=O)[O-])c(N)n2)C1	ZINC000599181444	409803151	/nfs/dbraw/zinc/80/31/51/409803151.db2.gz	BHGNZSYOYSGSCE-UHFFFAOYSA-N	0	0	317.331	-1.131	20	5		DABDRN
Nc1nccc(C(=O)NCCN2CCNC(=O)C2)c1[N+](=O)[O-]	ZINC000571460101	409805842	/nfs/dbraw/zinc/80/58/42/409805842.db2.gz	FAFIVRARNIPXRJ-UHFFFAOYSA-N	0	0	308.298	-1.266	20	5		DABDRN
CNC(=O)[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1	ZINC000548745336	409805972	/nfs/dbraw/zinc/80/59/72/409805972.db2.gz	WEBGWVKLRXQZQR-QMMMGPOBSA-N	0	0	309.282	-0.841	20	5		DABDRN
CNC(=O)NC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCO1	ZINC000599130706	409807397	/nfs/dbraw/zinc/80/73/97/409807397.db2.gz	VSIMSXQJJPVNDW-SSDOTTSWSA-N	0	0	311.302	-0.899	20	5		DABDRN
Nc1nc(NCCS(=O)(=O)NC2CC2)ncc1[N+](=O)[O-]	ZINC000341821367	409808326	/nfs/dbraw/zinc/80/83/26/409808326.db2.gz	VQSPEJVSCJEMTJ-UHFFFAOYSA-N	0	0	302.316	-1.117	20	5		DABDRN
O=C(CO)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1	ZINC000345107327	262532134	/nfs/dbraw/zinc/53/21/34/262532134.db2.gz	QDBINAVZROOMHC-UHFFFAOYSA-N	0	0	310.266	-1.028	20	5		DABDRN
CCn1cc(S(=O)(=O)NC[C@H](O)C(=O)OC)c([N+](=O)[O-])n1	ZINC000352076421	262557695	/nfs/dbraw/zinc/55/76/95/262557695.db2.gz	JKFQCOTVVRMFMG-LURJTMIESA-N	0	0	322.299	-1.377	20	5		DABDRN
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2C[C@@H](O)[C@H](O)C2)c1	ZINC000433797507	262629483	/nfs/dbraw/zinc/62/94/83/262629483.db2.gz	ARAYQPJSBBYWJA-NXEZZACHSA-N	0	0	303.296	-1.216	20	5		DABDRN
CN(CC(=O)NCCn1cc([N+](=O)[O-])cn1)S(C)(=O)=O	ZINC000492847498	263251986	/nfs/dbraw/zinc/25/19/86/263251986.db2.gz	NBNLFSGKYBDAGP-UHFFFAOYSA-N	0	0	305.316	-1.201	20	5		DABDRN
NC(=O)c1ccnc(NCCN2CCNC(=O)C2)c1[N+](=O)[O-]	ZINC000357438152	263259163	/nfs/dbraw/zinc/25/91/63/263259163.db2.gz	IEHRAZZBPIQFHG-UHFFFAOYSA-N	0	0	308.298	-1.068	20	5		DABDRN
NC(=O)[C@H]1CCCN1C(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000357991442	263268921	/nfs/dbraw/zinc/26/89/21/263268921.db2.gz	QHDAWXZJXMYAFN-MRVPVSSYSA-N	0	0	310.270	-1.023	20	5		DABDRN
COc1cc(C(=O)NC(C(N)=O)C(N)=O)cc([N+](=O)[O-])c1C	ZINC000358393147	263280606	/nfs/dbraw/zinc/28/06/06/263280606.db2.gz	QHSOBYAUKFVHIC-UHFFFAOYSA-N	0	0	310.266	-1.019	20	5		DABDRN
COC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)O	ZINC000347901527	263281738	/nfs/dbraw/zinc/28/17/38/263281738.db2.gz	QGXCUDQOONOSMZ-HQJQHLMTSA-N	0	0	313.266	-1.205	20	5		DABDRN
CCn1cc(S(=O)(=O)NCc2nnn(C)n2)c([N+](=O)[O-])n1	ZINC000362986961	263289502	/nfs/dbraw/zinc/28/95/02/263289502.db2.gz	PGJPEAKGPKABGQ-UHFFFAOYSA-N	0	0	316.303	-1.187	20	5		DABDRN
COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-]	ZINC000344860816	263320826	/nfs/dbraw/zinc/32/08/26/263320826.db2.gz	NMVNVBCEQVETKT-LURJTMIESA-N	0	0	311.254	-1.260	20	5		DABDRN
NC(=O)[C@@]1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCOC1	ZINC000584665135	337379732	/nfs/dbraw/zinc/37/97/32/337379732.db2.gz	AZAGBEYYGQAZEV-SNVBAGLBSA-N	0	0	316.295	-1.088	20	5		DABDRN
COC(=O)[C@@H](O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000540903373	340950845	/nfs/dbraw/zinc/95/08/45/340950845.db2.gz	FBMUDNFYJJRCOW-LURJTMIESA-N	0	0	305.268	-1.198	20	5		DABDRN
C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)S(N)(=O)=O	ZINC000336975280	524413961	/nfs/dbraw/zinc/41/39/61/524413961.db2.gz	NZJQCMTYEVSVID-SSDOTTSWSA-N	0	0	320.331	-1.233	20	5		DABDRN
C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)S(N)(=O)=O	ZINC000336975281	524679942	/nfs/dbraw/zinc/67/99/42/524679942.db2.gz	NZJQCMTYEVSVID-ZETCQYMHSA-N	0	0	320.331	-1.233	20	5		DABDRN
O=C1NC[C@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000247332485	527077353	/nfs/dbraw/zinc/07/73/53/527077353.db2.gz	YTEQBGSLWXEIIU-GXSJLCMTSA-N	0	0	310.314	-1.138	20	5		DABDRN
Cc1nn(C)c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1[N+](=O)[O-]	ZINC000267511533	527675963	/nfs/dbraw/zinc/67/59/63/527675963.db2.gz	QUTDUSPEJPIBBY-QMMMGPOBSA-N	0	0	308.298	-1.216	20	5		DABDRN
O=c1[nH]nc2n1CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000358805257	545642579	/nfs/dbraw/zinc/64/25/79/545642579.db2.gz	KUCJPDRQSXTRIN-SECBINFHSA-N	0	0	309.286	-1.035	20	5		DABDRN
C[C@@H](NS(C)(=O)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000342575545	545684486	/nfs/dbraw/zinc/68/44/86/545684486.db2.gz	KNIAHCBIKRNFAO-SSDOTTSWSA-N	0	0	305.316	-1.155	20	5		DABDRN
COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000347875508	545775717	/nfs/dbraw/zinc/77/57/17/545775717.db2.gz	FJKPWTCPHNKDMB-SFYZADRCSA-N	0	0	313.270	-1.025	20	5		DABDRN
Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC000973231538	662507287	/nfs/dbraw/zinc/50/72/87/662507287.db2.gz	AYMXPORSSOPYBR-FDDDBJFASA-N	0	0	308.298	-1.143	20	5		DABDRN
Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775385	662531088	/nfs/dbraw/zinc/53/10/88/662531088.db2.gz	VDECZKKIAJEOAH-DZEUPHNYSA-N	0	0	307.314	-1.578	20	5		DABDRN
Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1	ZINC000974093536	662550212	/nfs/dbraw/zinc/55/02/12/662550212.db2.gz	AYMXPORSSOPYBR-IBCQBUCCSA-N	0	0	308.298	-1.143	20	5		DABDRN
Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000974091874	662550457	/nfs/dbraw/zinc/55/04/57/662550457.db2.gz	GICIYDLXAAYONG-BZNPZCIMSA-N	0	0	308.298	-1.143	20	5		DABDRN
O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000974110947	662551063	/nfs/dbraw/zinc/55/10/63/662551063.db2.gz	JVKYJTWQYWTTBI-BZNPZCIMSA-N	0	0	308.298	-1.224	20	5		DABDRN
Cn1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)nn1	ZINC000976447248	662584310	/nfs/dbraw/zinc/58/43/10/662584310.db2.gz	UFVASULPASXIDL-KFIJRQPUSA-N	0	0	320.309	-1.333	20	5		DABDRN
Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1	ZINC000976484514	662585321	/nfs/dbraw/zinc/58/53/21/662585321.db2.gz	SIPFFNBRYVGBRA-KFIJRQPUSA-N	0	0	320.309	-1.333	20	5		DABDRN
O=C(N[C@@H]1[C@H]2CN(C(=O)c3cnon3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976481166	662585354	/nfs/dbraw/zinc/58/53/54/662585354.db2.gz	HLGQYMNJIOIJCG-NWQNCHOTSA-N	0	0	307.266	-1.079	20	5		DABDRN
NC(=O)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000976493049	662585676	/nfs/dbraw/zinc/58/56/76/662585676.db2.gz	KFSOQTRMOXQNDN-SPFKKGSWSA-N	0	0	322.321	-1.510	20	5		DABDRN
O=C(Cn1ncnn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976493109	662585734	/nfs/dbraw/zinc/58/57/34/662585734.db2.gz	LRGYBKGOIMGAQZ-DZEUPHNYSA-N	0	0	321.297	-2.089	20	5		DABDRN
O=C(Cn1cncn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000976492177	662585861	/nfs/dbraw/zinc/58/58/61/662585861.db2.gz	IIDBNGYZVDUFJV-GPTQDWHKSA-N	0	0	320.309	-1.484	20	5		DABDRN
Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21	ZINC000976927806	662593137	/nfs/dbraw/zinc/59/31/37/662593137.db2.gz	COKBZPGSVPXSDZ-DZEUPHNYSA-N	0	0	320.309	-1.035	20	5		DABDRN
O=C(Cn1nccn1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000978794790	662617161	/nfs/dbraw/zinc/61/71/61/662617161.db2.gz	KLKACJXJSRNETJ-LMLFDSFASA-N	0	0	322.325	-1.046	20	5		DABDRN
Cn1nnc(CN2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1	ZINC000981137541	662641607	/nfs/dbraw/zinc/64/16/07/662641607.db2.gz	VODLFOGVFIGUMJ-NXEZZACHSA-N	0	0	309.330	-1.090	20	5		DABDRN
CN(CC1CCN(C(=O)C(N)=O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000988620899	662728964	/nfs/dbraw/zinc/72/89/64/662728964.db2.gz	YTUHCEHUKZLALN-NXEZZACHSA-N	0	0	312.326	-1.166	20	5		DABDRN
Cc1nnc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1	ZINC000991169252	662804345	/nfs/dbraw/zinc/80/43/45/662804345.db2.gz	QZTBTFSBLXDERY-RKDXNWHRSA-N	0	0	309.282	-1.087	20	5		DABDRN
Cc1nnc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1	ZINC000991264599	663129400	/nfs/dbraw/zinc/12/94/00/663129400.db2.gz	QTYPEDCSKUTCTR-RKDXNWHRSA-N	0	0	308.298	-1.352	20	5		DABDRN
Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nnn1C	ZINC000991282209	663132662	/nfs/dbraw/zinc/13/26/62/663132662.db2.gz	YKZNBFXJUPIUJW-RKDXNWHRSA-N	0	0	308.298	-1.271	20	5		DABDRN
O=C(Cn1ccccc1=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991286455	663133735	/nfs/dbraw/zinc/13/37/35/663133735.db2.gz	KPEQEDMRIZLRRG-GHMZBOCLSA-N	0	0	320.305	-1.160	20	5		DABDRN
Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n(C)c1=O	ZINC000991286626	663133769	/nfs/dbraw/zinc/13/37/69/663133769.db2.gz	DFCZYYJZUSSPBR-RKDXNWHRSA-N	0	0	323.309	-1.670	20	5		DABDRN
O=C(CCc1cn[nH]n1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991287390	663134011	/nfs/dbraw/zinc/13/40/11/663134011.db2.gz	RXDUKYLBKFCTAW-NXEZZACHSA-N	0	0	308.298	-1.271	20	5		DABDRN
Cn1cnn(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1=O	ZINC000991291127	663134670	/nfs/dbraw/zinc/13/46/70/663134670.db2.gz	QHXIEEVRLPEZBM-RKDXNWHRSA-N	0	0	324.297	-2.426	20	5		DABDRN
CCn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC000991294371	663134711	/nfs/dbraw/zinc/13/47/11/663134711.db2.gz	DRFCZCVYQHAYKC-PSASIEDQSA-N	0	0	308.298	-1.096	20	5		DABDRN
O=C(CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCOCC1	ZINC001030292423	663175898	/nfs/dbraw/zinc/17/58/98/663175898.db2.gz	HWBWFSITQKZQSW-GHMZBOCLSA-N	0	0	312.326	-1.689	20	5		DABDRN
NC(=O)c1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH]1	ZINC000991775372	663195843	/nfs/dbraw/zinc/19/58/43/663195843.db2.gz	TZISVXXZXIJLEK-PSASIEDQSA-N	0	0	321.293	-1.281	20	5		DABDRN
CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000757723832	663227721	/nfs/dbraw/zinc/22/77/21/663227721.db2.gz	FCNMDEBCTXTOOJ-SECBINFHSA-N	0	0	303.296	-1.020	20	5		DABDRN
O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2n(n1)CCO2	ZINC000994209361	663277209	/nfs/dbraw/zinc/27/72/09/663277209.db2.gz	LNZORJCXBLDFFK-PSASIEDQSA-N	0	0	321.293	-1.119	20	5		DABDRN
Cn1c(=O)cc(COC(=O)Cn2ccc([N+](=O)[O-])n2)n(C)c1=O	ZINC000919380155	663300827	/nfs/dbraw/zinc/30/08/27/663300827.db2.gz	DJRSDGDOJCVOKJ-UHFFFAOYSA-N	0	0	323.265	-1.068	20	5		DABDRN
COC(=O)CNC(=O)COC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000919379028	663301179	/nfs/dbraw/zinc/30/11/79/663301179.db2.gz	BEYIEAITIVQDMA-UHFFFAOYSA-N	0	0	300.227	-1.376	20	5		DABDRN
CC(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1	ZINC000994699205	663306942	/nfs/dbraw/zinc/30/69/42/663306942.db2.gz	IEHVOUIOUKUWPY-GHMZBOCLSA-N	0	0	308.298	-1.037	20	5		DABDRN
Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O	ZINC000994784288	663313332	/nfs/dbraw/zinc/31/33/32/663313332.db2.gz	WQCASQKPVXQGOL-PSASIEDQSA-N	0	0	321.293	-1.614	20	5		DABDRN
Cn1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O	ZINC000995122322	663383827	/nfs/dbraw/zinc/38/38/27/663383827.db2.gz	SAXPEMXLKCTGBM-GHMZBOCLSA-N	0	0	320.305	-1.009	20	5		DABDRN
Cn1cncc1CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000996445584	663486662	/nfs/dbraw/zinc/48/66/62/663486662.db2.gz	YGKUOCUTVCXBFH-GHMZBOCLSA-N	0	0	307.310	-1.045	20	5		DABDRN
NC(=O)c1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1	ZINC000999947155	663571543	/nfs/dbraw/zinc/57/15/43/663571543.db2.gz	HBQNFMXBERMVBK-GMSGAONNSA-N	0	0	321.293	-1.281	20	5		DABDRN
Cn1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1N	ZINC001001528626	663602943	/nfs/dbraw/zinc/60/29/43/663602943.db2.gz	SDCSVIJQXPGNBG-PSASIEDQSA-N	0	0	322.325	-1.144	20	5		DABDRN
O=C(CN1CCCC1=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001796370	663610725	/nfs/dbraw/zinc/61/07/25/663610725.db2.gz	QIFAWNKIOPFHTL-GHMZBOCLSA-N	0	0	324.337	-1.151	20	5		DABDRN
Cn1nncc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001001807717	663610846	/nfs/dbraw/zinc/61/08/46/663610846.db2.gz	QWUJRHKZVTVQQH-RKDXNWHRSA-N	0	0	308.298	-1.332	20	5		DABDRN
Cn1[nH]c(CN2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O	ZINC001002782103	663619293	/nfs/dbraw/zinc/61/92/93/663619293.db2.gz	HIIRIHXHDPOYKQ-NXEZZACHSA-N	0	0	324.341	-1.146	20	5		DABDRN
CNC(=O)[C@@H](O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000757702154	663806477	/nfs/dbraw/zinc/80/64/77/663806477.db2.gz	KNEKATNEWHXWAL-VIFPVBQESA-N	0	0	318.311	-1.239	20	5		DABDRN
CNC(=O)[C@H](O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	ZINC000757692479	663806621	/nfs/dbraw/zinc/80/66/21/663806621.db2.gz	FTYZMOKYJMBHGA-SSDOTTSWSA-N	0	0	318.311	-1.239	20	5		DABDRN
COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839687211	663806835	/nfs/dbraw/zinc/80/68/35/663806835.db2.gz	YPHUCAIKWLLRNW-GHMZBOCLSA-N	0	0	315.326	-1.015	20	5		DABDRN
COCCS(=O)(=O)CC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000768947794	663816146	/nfs/dbraw/zinc/81/61/46/663816146.db2.gz	NKMNSRIZRDXPMZ-UHFFFAOYSA-N	0	0	320.327	-1.031	20	5		DABDRN
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