smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 ZINC000002353659 132253002 /nfs/dbraw/zinc/25/30/02/132253002.db2.gz YZGRNJAUODVCPT-PXNMLYILSA-N 0 0 411.399 1.610 50 5 HDBARN CCOC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 ZINC000004054008 132270467 /nfs/dbraw/zinc/27/04/67/132270467.db2.gz GSYPMPNKZOJCDP-HZPDHXFCSA-N 0 0 405.407 1.872 50 5 HDBARN CN1C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2C1=O ZINC000004759777 132288145 /nfs/dbraw/zinc/28/81/45/132288145.db2.gz PDMZYDMEKMJFSK-UHFFFAOYSA-N 0 0 410.386 1.910 50 5 HDBARN O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 ZINC000008971596 132334409 /nfs/dbraw/zinc/33/44/09/132334409.db2.gz IIWQSFYIIPFJMB-DNVCBOLYSA-N 0 0 400.460 1.902 50 5 HDBARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009961024 132344515 /nfs/dbraw/zinc/34/45/15/132344515.db2.gz URQRGUUSXYKJKW-UHFFFAOYSA-N 0 0 417.422 1.331 50 5 HDBARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010058253 132345040 /nfs/dbraw/zinc/34/50/40/132345040.db2.gz DGVHOXLKRALRTB-UHFFFAOYSA-N 0 0 411.397 1.736 50 5 HDBARN CC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)c(F)c1 ZINC000012553812 132363290 /nfs/dbraw/zinc/36/32/90/132363290.db2.gz PVZNOAMPLMZKEZ-UHFFFAOYSA-N 0 0 422.438 1.911 50 5 HDBARN CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000024751203 132484537 /nfs/dbraw/zinc/48/45/37/132484537.db2.gz COYAOCIJVQCKET-SFHVURJKSA-N 0 0 419.459 1.770 50 5 HDBARN Cc1nn(CC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000041329024 527702098 /nfs/dbraw/zinc/70/20/98/527702098.db2.gz SEGBLZXDSCVFAM-UHFFFAOYSA-N 0 0 404.446 1.486 50 5 HDBARN COC(=O)c1nn2c(c1C(=O)OC)CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000097757013 558259401 /nfs/dbraw/zinc/25/94/01/558259401.db2.gz UGJOVBXAYTUUFA-UHFFFAOYSA-N 0 0 418.362 1.517 50 5 HDBARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000011027064 558689603 /nfs/dbraw/zinc/68/96/03/558689603.db2.gz DIALLBHJOXQHEI-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN CC(=O)OCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccccn1c2=O ZINC000016741224 558803474 /nfs/dbraw/zinc/80/34/74/558803474.db2.gz OKTLCTDWESOQHH-UHFFFAOYSA-N 0 0 423.473 1.754 50 5 HDBARN Cn1c2ccc([N+](=O)[O-])cc2nc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013540030 558842424 /nfs/dbraw/zinc/84/24/24/558842424.db2.gz QMNCZMCFJUKLNK-UHFFFAOYSA-N 0 0 415.475 1.988 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)CN2CCOCC2)c2ccccc2)cc1 ZINC000022147733 558862786 /nfs/dbraw/zinc/86/27/86/558862786.db2.gz ZYYIJFFDPDFXDI-GOSISDBHSA-N 0 0 421.475 1.483 50 5 HDBARN COC[C@@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000013847184 558886046 /nfs/dbraw/zinc/88/60/46/558886046.db2.gz FWODITCDNJKJET-CQSZACIVSA-N 0 0 407.448 1.941 50 5 HDBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000102128779 560807951 /nfs/dbraw/zinc/80/79/51/560807951.db2.gz ULWPKNYLYRLMPX-IYBDPMFKSA-N 0 0 416.386 1.846 50 5 HDBARN COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000102592280 560817567 /nfs/dbraw/zinc/81/75/67/560817567.db2.gz ZPAJTGLQEDDWHE-BETUJISGSA-N 0 0 419.390 1.260 50 5 HDBARN CCCCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000024553883 560845256 /nfs/dbraw/zinc/84/52/56/560845256.db2.gz AEGHMQAJQQOVAO-UHFFFAOYSA-N 0 0 401.510 1.961 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C1O ZINC000103965805 560845444 /nfs/dbraw/zinc/84/54/44/560845444.db2.gz KVPGGKDRJGYGJE-GDBMZVCRSA-N 0 0 412.314 1.804 50 5 HDBARN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000655257 568457826 /nfs/dbraw/zinc/45/78/26/568457826.db2.gz KXHGKNXAXJPFOQ-AWEZNQCLSA-N 0 0 405.264 1.853 50 5 HDBARN O=C([C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000000752135 568470776 /nfs/dbraw/zinc/47/07/76/568470776.db2.gz TVUZQZKYWYADOX-SFHVURJKSA-N 0 0 409.398 1.661 50 5 HDBARN COc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc(OC)c1 ZINC000020892465 568647477 /nfs/dbraw/zinc/64/74/77/568647477.db2.gz IKKBXIYSDBQKLH-UHFFFAOYSA-N 0 0 419.390 1.812 50 5 HDBARN C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000001115969 568770837 /nfs/dbraw/zinc/77/08/37/568770837.db2.gz CHGMRRNXCGYNLZ-ZIAGYGMSSA-N 0 0 411.480 1.631 50 5 HDBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002474768 568773801 /nfs/dbraw/zinc/77/38/01/568773801.db2.gz GZSSZDPWLHPTIS-UHFFFAOYSA-N 0 0 418.229 1.148 50 5 HDBARN O=C1N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2C12OCCO2 ZINC000028617786 568796138 /nfs/dbraw/zinc/79/61/38/568796138.db2.gz CCDLYQJYWIADIL-UHFFFAOYSA-N 0 0 410.430 1.921 50 5 HDBARN CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O ZINC000230038905 568803378 /nfs/dbraw/zinc/80/33/78/568803378.db2.gz XKVUAVZNYHLHFR-KXBFYZLASA-N 0 0 402.407 1.173 50 5 HDBARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(OCC(F)F)cc([N+](=O)[O-])c2)C1 ZINC000002808096 568811016 /nfs/dbraw/zinc/81/10/16/568811016.db2.gz YHAKEIJEMMXJCC-SNVBAGLBSA-N 0 0 407.395 1.849 50 5 HDBARN Cc1ccc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000002847204 568812876 /nfs/dbraw/zinc/81/28/76/568812876.db2.gz IIGWEQQMWNRRRQ-CYBMUJFWSA-N 0 0 413.477 1.549 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O ZINC000002873937 568813858 /nfs/dbraw/zinc/81/38/58/568813858.db2.gz PCHXLNFWNNZJCQ-UHFFFAOYSA-N 0 0 403.457 1.301 50 5 HDBARN Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003004277 568836957 /nfs/dbraw/zinc/83/69/57/568836957.db2.gz IPSJJARAPXWWOF-UHFFFAOYSA-N 0 0 413.386 1.175 50 5 HDBARN COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000003273659 568870728 /nfs/dbraw/zinc/87/07/28/568870728.db2.gz KPDVOCLHHQAEBL-UHFFFAOYSA-N 0 0 413.386 1.466 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(NCCc3cccc(O)c3)c([N+](=O)[O-])c2)CC1 ZINC000058008787 568875192 /nfs/dbraw/zinc/87/51/92/568875192.db2.gz GVLVVSHOHYEFJU-UHFFFAOYSA-N 0 0 420.491 1.891 50 5 HDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(F)c(F)c1 ZINC000004313715 568961303 /nfs/dbraw/zinc/96/13/03/568961303.db2.gz BILLTUOMSJPPAR-UHFFFAOYSA-N 0 0 404.281 1.895 50 5 HDBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015682805 568965644 /nfs/dbraw/zinc/96/56/44/568965644.db2.gz XARVUVRDAIALQR-HNNXBMFYSA-N 0 0 419.459 1.895 50 5 HDBARN Cc1c(Cl)cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000012902280 569020876 /nfs/dbraw/zinc/02/08/76/569020876.db2.gz XWUBHDGINVIYFD-UHFFFAOYSA-N 0 0 411.889 1.259 50 5 HDBARN Cc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000006180852 569027840 /nfs/dbraw/zinc/02/78/40/569027840.db2.gz XCMJNXCZCOZLPM-UHFFFAOYSA-N 0 0 406.416 1.998 50 5 HDBARN CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NC(C)C)[C@@H]2C1 ZINC000035894651 569065153 /nfs/dbraw/zinc/06/51/53/569065153.db2.gz XNXIIORTNVDXJI-HKUYNNGSSA-N 0 0 417.510 1.307 50 5 HDBARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035894423 569065164 /nfs/dbraw/zinc/06/51/64/569065164.db2.gz UDQKQXKXUGWKPG-AZUAARDMSA-N 0 0 402.495 1.965 50 5 HDBARN CCOc1nn(CCCNS(=O)(=O)c2cn(C(F)F)nc2C)cc1[N+](=O)[O-] ZINC000036614924 569206806 /nfs/dbraw/zinc/20/68/06/569206806.db2.gz RGPARKYVMIKIQR-UHFFFAOYSA-N 0 0 408.387 1.459 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H](C)S(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000170613566 569246904 /nfs/dbraw/zinc/24/69/04/569246904.db2.gz HNCRDZNTCRBVOO-ZDUSSCGKSA-N 0 0 419.525 1.639 50 5 HDBARN CN1CCN(n2c3c(c(SCc4cccc([N+](=O)[O-])c4)nc2=O)CCC3)CC1 ZINC000010255133 569254066 /nfs/dbraw/zinc/25/40/66/569254066.db2.gz ZRUUPPFXRKNKCX-UHFFFAOYSA-N 0 0 401.492 1.816 50 5 HDBARN N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1 ZINC000100583590 569281813 /nfs/dbraw/zinc/28/18/13/569281813.db2.gz YSKGUEJFZJXOGS-OAHLLOKOSA-N 0 0 419.441 1.831 50 5 HDBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000027370020 569298209 /nfs/dbraw/zinc/29/82/09/569298209.db2.gz GOZUBJRQBGSSHR-CRAIPNDOSA-N 0 0 407.471 1.043 50 5 HDBARN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000007654020 569299120 /nfs/dbraw/zinc/29/91/20/569299120.db2.gz BTESMOQLMZSIAI-GOSISDBHSA-N 0 0 415.446 1.881 50 5 HDBARN CCOC(=O)c1cnc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc1N ZINC000018180135 569385669 /nfs/dbraw/zinc/38/56/69/569385669.db2.gz UQVOHZOBTQFHCK-GFCCVEGCSA-N 0 0 417.403 1.568 50 5 HDBARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009305378 569392262 /nfs/dbraw/zinc/39/22/62/569392262.db2.gz DKAILWLFDXIBHV-UHFFFAOYSA-N 0 0 416.419 1.977 50 5 HDBARN C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012796262 569403520 /nfs/dbraw/zinc/40/35/20/569403520.db2.gz NRCCCRBPEJIRMZ-RNCFNFMXSA-N 0 0 419.843 1.542 50 5 HDBARN CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000012998819 569406343 /nfs/dbraw/zinc/40/63/43/569406343.db2.gz BOVOJHBXUOAJPF-UHFFFAOYSA-N 0 0 412.358 1.927 50 5 HDBARN CN(Cc1ccc(Br)cc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000040050071 571144032 /nfs/dbraw/zinc/14/40/32/571144032.db2.gz INOJAYNJYAINKE-UHFFFAOYSA-N 0 0 423.223 1.277 50 5 HDBARN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])c(C)c12 ZINC000040086821 571157344 /nfs/dbraw/zinc/15/73/44/571157344.db2.gz VOKJZUMZTIBUKU-UHFFFAOYSA-N 0 0 412.450 1.948 50 5 HDBARN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1[N+](=O)[O-] ZINC000040089796 571159698 /nfs/dbraw/zinc/15/96/98/571159698.db2.gz WHFBXVLNDMYTKA-UHFFFAOYSA-N 0 0 418.431 1.276 50 5 HDBARN O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040115434 571173135 /nfs/dbraw/zinc/17/31/35/571173135.db2.gz GQOMLUNGWZNELW-KBPBESRZSA-N 0 0 416.356 1.333 50 5 HDBARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000009284681 571245130 /nfs/dbraw/zinc/24/51/30/571245130.db2.gz OKSZGNIBWZTAAO-IBGZPJMESA-N 0 0 412.358 1.729 50 5 HDBARN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 ZINC000009343548 571249930 /nfs/dbraw/zinc/24/99/30/571249930.db2.gz BBDSOGRNXJPYGA-UHFFFAOYSA-N 0 0 407.404 1.308 50 5 HDBARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000009587152 571271488 /nfs/dbraw/zinc/27/14/88/571271488.db2.gz UCEWHVQARRLIPS-UHFFFAOYSA-N 0 0 421.431 1.949 50 5 HDBARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 ZINC000017089523 571310504 /nfs/dbraw/zinc/31/05/04/571310504.db2.gz LYLRUFWZLFQRLV-UHFFFAOYSA-N 0 0 413.438 1.745 50 5 HDBARN O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006831398 132318184 /nfs/dbraw/zinc/31/81/84/132318184.db2.gz HRKKULHMYXCDPA-UHFFFAOYSA-N 0 0 411.370 1.842 50 5 HDBARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009655447 132342102 /nfs/dbraw/zinc/34/21/02/132342102.db2.gz KTFXRZGTUXYLJF-UHFFFAOYSA-N 0 0 411.397 1.736 50 5 HDBARN CCS(=O)(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009721087 132342950 /nfs/dbraw/zinc/34/29/50/132342950.db2.gz RWUOYOBLEKEZSN-UHFFFAOYSA-N 0 0 412.346 1.994 50 5 HDBARN O=c1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccn12 ZINC000010973505 132346972 /nfs/dbraw/zinc/34/69/72/132346972.db2.gz VCQIPNXMJONFSA-UHFFFAOYSA-N 0 0 415.431 1.114 50 5 HDBARN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000032906040 522913011 /nfs/dbraw/zinc/91/30/11/522913011.db2.gz SRCKOANNGLJJKT-ZDUSSCGKSA-N 0 0 409.468 1.916 50 5 HDBARN CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)o1 ZINC000025056146 523885204 /nfs/dbraw/zinc/88/52/04/523885204.db2.gz QNSPWBHVNALUFY-UHFFFAOYSA-N 0 0 423.447 1.906 50 5 HDBARN COC(CNC(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1)OC ZINC000004660418 536508929 /nfs/dbraw/zinc/50/89/29/536508929.db2.gz FIVJTVMAFUCECG-UHFFFAOYSA-N 0 0 415.450 1.665 50 5 HDBARN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032245644 527227794 /nfs/dbraw/zinc/22/77/94/527227794.db2.gz UZZNZAYQXGSMNT-UHFFFAOYSA-N 0 0 407.390 1.364 50 5 HDBARN COCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O ZINC000229903377 558427027 /nfs/dbraw/zinc/42/70/27/558427027.db2.gz CKRMRMHVHBBTKU-KXBFYZLASA-N 0 0 402.407 1.221 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@]2(CCO)CCOC2)ccc1Br ZINC000095443872 559078404 /nfs/dbraw/zinc/07/84/04/559078404.db2.gz LHMFCJUKRGLXLY-ZDUSSCGKSA-N 0 0 409.258 1.425 50 5 HDBARN CS(=O)(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000011550801 559089368 /nfs/dbraw/zinc/08/93/68/559089368.db2.gz OIGZLYXIHXSXLV-UHFFFAOYSA-N 0 0 408.436 1.453 50 5 HDBARN COCCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c1nc1ccccn1c2=O ZINC000100425703 559135170 /nfs/dbraw/zinc/13/51/70/559135170.db2.gz UPLXHYOHPJCVMM-CQSZACIVSA-N 0 0 411.462 1.074 50 5 aggregator HDBARN NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000078809037 560540907 /nfs/dbraw/zinc/54/09/07/560540907.db2.gz VVFOAULNWFCHNV-UHFFFAOYSA-N 0 0 413.437 1.539 50 5 HDBARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024453405 560825958 /nfs/dbraw/zinc/82/59/58/560825958.db2.gz YZCHTSIYLSNTRM-UHFFFAOYSA-N 0 0 420.447 1.733 50 5 HDBARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103935973 560845066 /nfs/dbraw/zinc/84/50/66/560845066.db2.gz MIQZZZUSWDELKT-APYUEPQZSA-N 0 0 415.402 1.805 50 5 HDBARN O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000104914900 560856607 /nfs/dbraw/zinc/85/66/07/560856607.db2.gz KIBZXMCSPMWZRM-SJLPKXTDSA-N 0 0 410.430 1.970 50 5 HDBARN COc1ccc(-n2c3nc(-c4ccc([N+](=O)[O-])cc4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000012080841 560888871 /nfs/dbraw/zinc/88/88/71/560888871.db2.gz BXOZCFKHLWAYQX-UHFFFAOYSA-N 0 0 406.358 1.792 50 5 HDBARN O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000019991041 568586174 /nfs/dbraw/zinc/58/61/74/568586174.db2.gz IYCNTPSBZJQPLK-OAQYLSRUSA-N 0 0 411.414 1.692 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3ncc[nH]3)c([N+](=O)[O-])c2)CC1 ZINC000095467588 568624916 /nfs/dbraw/zinc/62/49/16/568624916.db2.gz KLHYDJRQJVLUNV-MRXNPFEDSA-N 0 0 420.495 1.596 50 5 HDBARN CC(=O)c1ccc(NCCNS(=O)(=O)c2sc(=O)[nH]c2C)c([N+](=O)[O-])c1 ZINC000095943710 568662883 /nfs/dbraw/zinc/66/28/83/568662883.db2.gz LZBMLSMLLJXNSX-UHFFFAOYSA-N 0 0 400.438 1.246 50 5 HDBARN O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000021322461 568687504 /nfs/dbraw/zinc/68/75/04/568687504.db2.gz RVNUUZOYOIONBO-UHFFFAOYSA-N 0 0 418.431 1.467 50 5 HDBARN Cc1nn(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1[N+](=O)[O-] ZINC000021573788 568719100 /nfs/dbraw/zinc/71/91/00/568719100.db2.gz OXPCXMXWEBBKKU-UHFFFAOYSA-N 0 0 401.423 1.481 50 5 HDBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCC2(CC1)NC(=O)NC2=O ZINC000022281590 568765905 /nfs/dbraw/zinc/76/59/05/568765905.db2.gz JLQOSQCTOZKQRG-UHFFFAOYSA-N 0 0 401.423 1.399 50 5 HDBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000001141239 568772258 /nfs/dbraw/zinc/77/22/58/568772258.db2.gz WSKYOZGGKJELLB-UHFFFAOYSA-N 0 0 407.404 1.771 50 5 HDBARN CCn1nccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000225649143 568777844 /nfs/dbraw/zinc/77/78/44/568777844.db2.gz DSNWJQYNIQFPQS-UHFFFAOYSA-N 0 0 422.511 1.384 50 5 HDBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000002708987 568801679 /nfs/dbraw/zinc/80/16/79/568801679.db2.gz ZUVSBFZTIJIOCR-GOSISDBHSA-N 0 0 419.459 1.843 50 5 HDBARN O=C(Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000002731648 568804446 /nfs/dbraw/zinc/80/44/46/568804446.db2.gz RHEZSWCWNXHEPA-HNNXBMFYSA-N 0 0 416.419 1.268 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2n[nH]c(C(=O)NC[C@@H]3CCCO3)c2C1 ZINC000034797324 568827450 /nfs/dbraw/zinc/82/74/50/568827450.db2.gz PQAYEFQHDJSTIU-HNNXBMFYSA-N 0 0 413.434 1.354 50 5 HDBARN C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000034858951 568829493 /nfs/dbraw/zinc/82/94/93/568829493.db2.gz QERAHHFFANCXIY-AWEZNQCLSA-N 0 0 410.496 1.348 50 5 HDBARN CNS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000012557823 568856530 /nfs/dbraw/zinc/85/65/30/568856530.db2.gz SKQICFDODXMPQC-CHWSQXEVSA-N 0 0 400.501 1.803 50 5 HDBARN CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000012568831 568861227 /nfs/dbraw/zinc/86/12/27/568861227.db2.gz MDTJQTNDOWAOBD-UHFFFAOYSA-N 0 0 414.484 1.346 50 5 HDBARN Cc1cc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1[N+](=O)[O-] ZINC000012617500 568872144 /nfs/dbraw/zinc/87/21/44/568872144.db2.gz SLTVDFBRDMOQSC-UHFFFAOYSA-N 0 0 413.459 1.931 50 5 HDBARN COc1ccc(CCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012760435 568945207 /nfs/dbraw/zinc/94/52/07/568945207.db2.gz LWRUSUGRPQXIDE-VQIMIIECSA-N 0 0 419.434 1.548 50 5 HDBARN C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCC(C)CC1 ZINC000012783041 568958549 /nfs/dbraw/zinc/95/85/49/568958549.db2.gz QVFAWNSXUPRAQF-CHWSQXEVSA-N 0 0 417.418 1.770 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1[N+](=O)[O-] ZINC000008022708 568968855 /nfs/dbraw/zinc/96/88/55/568968855.db2.gz BEKBNWJLGASLMJ-AWEZNQCLSA-N 0 0 409.464 1.793 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)CC1 ZINC000012908421 569021618 /nfs/dbraw/zinc/02/16/18/569021618.db2.gz KWMCABLSFJZZRO-UHFFFAOYSA-N 0 0 402.436 1.265 50 5 HDBARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000006237098 569034100 /nfs/dbraw/zinc/03/41/00/569034100.db2.gz CTRBWPIBPWIJTP-UHFFFAOYSA-N 0 0 419.459 1.679 50 5 HDBARN O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000013008269 569049822 /nfs/dbraw/zinc/04/98/22/569049822.db2.gz FDYCIIVFSZXAEQ-UHFFFAOYSA-N 0 0 408.370 1.995 50 5 HDBARN O=C(NC1CCCCC1)N1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000026704568 569053200 /nfs/dbraw/zinc/05/32/00/569053200.db2.gz QALREUMUCZDBGX-UHFFFAOYSA-N 0 0 400.439 1.767 50 5 HDBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000001867116 569056764 /nfs/dbraw/zinc/05/67/64/569056764.db2.gz YGMBBYYEPGXQCF-YBEGLDIGSA-N 0 0 410.386 1.697 50 5 HDBARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247717069 569057464 /nfs/dbraw/zinc/05/74/64/569057464.db2.gz OEFLGVMKOKDVDW-BDXSIMOUSA-N 0 0 404.382 1.596 50 5 HDBARN CCc1ccccc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001916950 569059299 /nfs/dbraw/zinc/05/92/99/569059299.db2.gz MNCYZUZWFFDJDF-UHFFFAOYSA-N 0 0 411.370 1.935 50 5 HDBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12 ZINC000035870170 569063928 /nfs/dbraw/zinc/06/39/28/569063928.db2.gz AYXVXBYGMHTCII-PKOBYXMFSA-N 0 0 415.494 1.016 50 5 HDBARN O=CN1CCN([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000036067082 569085724 /nfs/dbraw/zinc/08/57/24/569085724.db2.gz ZQLGSNQYKBUJKK-LJQANCHMSA-N 0 0 418.450 1.588 50 5 HDBARN CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000036790676 569228587 /nfs/dbraw/zinc/22/85/87/569228587.db2.gz FIHUPQQFJGJYFY-ZFWWWQNUSA-N 0 0 406.439 1.885 50 5 HDBARN Cc1nn(CCC(=O)N2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)c(C)c1[N+](=O)[O-] ZINC000170599066 569242722 /nfs/dbraw/zinc/24/27/22/569242722.db2.gz VINBMZALTOHRMH-UHFFFAOYSA-N 0 0 401.471 1.922 50 5 HDBARN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000007654022 569299138 /nfs/dbraw/zinc/29/91/38/569299138.db2.gz BTESMOQLMZSIAI-SFHVURJKSA-N 0 0 415.446 1.881 50 5 HDBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)N1CCOCC1 ZINC000055202023 569393640 /nfs/dbraw/zinc/39/36/40/569393640.db2.gz VLVAXPMMXSENEM-UHFFFAOYSA-N 0 0 417.510 1.566 50 5 HDBARN CCN(CC)Cc1nc(C2(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CCCC2)no1 ZINC000078720175 569395321 /nfs/dbraw/zinc/39/53/21/569395321.db2.gz RLVGCLCJGNTKTH-UHFFFAOYSA-N 0 0 418.454 1.567 50 5 HDBARN C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012796266 569403496 /nfs/dbraw/zinc/40/34/96/569403496.db2.gz NRCCCRBPEJIRMZ-ZANVPECISA-N 0 0 419.843 1.542 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012985831 569405856 /nfs/dbraw/zinc/40/58/56/569405856.db2.gz KUPOZSYLUWTOTK-PWSUYJOCSA-N 0 0 418.855 1.829 50 5 HDBARN COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)C=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019314768 569416281 /nfs/dbraw/zinc/41/62/81/569416281.db2.gz MTITWMNOQGJZBI-GOSISDBHSA-N 0 0 417.418 1.634 50 5 HDBARN O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1CCCN1CCOCC1 ZINC000038829211 571084145 /nfs/dbraw/zinc/08/41/45/571084145.db2.gz WEZGZWVORJCIFN-UHFFFAOYSA-N 0 0 417.469 1.818 50 5 HDBARN O=c1oc2cc(S(=O)(=O)N3CCOCC3)ccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000008867301 571129289 /nfs/dbraw/zinc/12/92/89/571129289.db2.gz DBMVQQYXASYDAZ-UHFFFAOYSA-N 0 0 419.415 1.572 50 5 HDBARN O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F ZINC000040115891 571173695 /nfs/dbraw/zinc/17/36/95/571173695.db2.gz CUUNWIMZQAIKKJ-BXUZGUMPSA-N 0 0 400.357 1.453 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000040135453 571188517 /nfs/dbraw/zinc/18/85/17/571188517.db2.gz FVWYFECUASSRJZ-NSHDSACASA-N 0 0 412.449 1.852 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245380260 571226949 /nfs/dbraw/zinc/22/69/49/571226949.db2.gz VCVRZLCSAQZAAQ-HCXYKTFWSA-N 0 0 420.374 1.873 50 5 HDBARN C[C@@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009201045 571236408 /nfs/dbraw/zinc/23/64/08/571236408.db2.gz UTHAJJWEHUCCEH-WQVCFCJDSA-N 0 0 415.402 1.806 50 5 HDBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009402833 571254842 /nfs/dbraw/zinc/25/48/42/571254842.db2.gz ASSDDNDJOKMJJQ-UHFFFAOYSA-N 0 0 421.793 1.983 50 5 HDBARN COc1cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000009442841 571259282 /nfs/dbraw/zinc/25/92/82/571259282.db2.gz DBOKJCOICYABOA-UHFFFAOYSA-N 0 0 416.346 1.577 50 5 HDBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N[C@@H]1CCS(=O)(=O)C1 ZINC000009647926 571276650 /nfs/dbraw/zinc/27/66/50/571276650.db2.gz DJUZRROCAYWQHK-GFCCVEGCSA-N 0 0 408.388 1.315 50 5 HDBARN CNc1nccc(C(=O)NCc2cccc(OCCN3CCOCC3)c2)c1[N+](=O)[O-] ZINC000408517918 571305680 /nfs/dbraw/zinc/30/56/80/571305680.db2.gz PGMMHJHVFWIDMV-UHFFFAOYSA-N 0 0 415.450 1.673 50 5 HDBARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000007779637 132325663 /nfs/dbraw/zinc/32/56/63/132325663.db2.gz JPRLWBNCWLCUOI-UHFFFAOYSA-N 0 0 408.370 1.955 50 5 HDBARN CC(C)NS(=O)(=O)c1ccc(N2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000012546169 132362947 /nfs/dbraw/zinc/36/29/47/132362947.db2.gz XOWBIWMFNDCNTI-UHFFFAOYSA-N 0 0 419.507 1.999 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245380261 519757320 /nfs/dbraw/zinc/75/73/20/519757320.db2.gz VCVRZLCSAQZAAQ-XWSJACJDSA-N 0 0 420.374 1.873 50 5 HDBARN C[C@H](Cn1ccnc1)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000032911826 524794253 /nfs/dbraw/zinc/79/42/53/524794253.db2.gz RTLBOSXKQBHUSC-CQSZACIVSA-N 0 0 408.484 1.228 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000032747454 525468287 /nfs/dbraw/zinc/46/82/87/525468287.db2.gz ACLNQFXJHZUDEW-UHFFFAOYSA-N 0 0 410.386 1.614 50 5 HDBARN CSc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1 ZINC000040398885 526206636 /nfs/dbraw/zinc/20/66/36/526206636.db2.gz UBJNFDHAOWKJBU-NSHDSACASA-N 0 0 410.459 1.720 50 5 HDBARN Cc1ccc2c(c1)oc1cc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)ccc1c2=O ZINC000041128038 526220335 /nfs/dbraw/zinc/22/03/35/526220335.db2.gz DAPANICJJXNENL-ZDUSSCGKSA-N 0 0 401.440 1.937 50 5 HDBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(CN3CCOCC3)nc21 ZINC000020403595 527108917 /nfs/dbraw/zinc/10/89/17/527108917.db2.gz YSWHSDFHVJDMRE-UHFFFAOYSA-N 0 0 406.442 1.722 50 5 HDBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000010810140 558457266 /nfs/dbraw/zinc/45/72/66/558457266.db2.gz OWDXIBGZXGVUFM-LBPRGKRZSA-N 0 0 411.418 1.894 50 5 HDBARN COc1ccc(CCN2C(=O)C[C@H](NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000004808792 559067666 /nfs/dbraw/zinc/06/76/66/559067666.db2.gz BFVHIOXEYDXTRG-INIZCTEOSA-N 0 0 414.418 1.899 50 5 HDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000018126641 560779252 /nfs/dbraw/zinc/77/92/52/560779252.db2.gz LGKILSCEMDIKSY-FJIDUMEYSA-N 0 0 404.382 1.706 50 5 HDBARN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1 ZINC000005688269 560784095 /nfs/dbraw/zinc/78/40/95/560784095.db2.gz BRICPBGXKITSKR-INIZCTEOSA-N 0 0 419.459 1.893 50 5 HDBARN N=c1c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCO ZINC000101105489 560786095 /nfs/dbraw/zinc/78/60/95/560786095.db2.gz TYLUESSELPMAAV-UHFFFAOYSA-N 0 0 414.418 1.093 50 5 HDBARN O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102129925 560808082 /nfs/dbraw/zinc/80/80/82/560808082.db2.gz RJAOONCIKVTNNM-HUUCEWRRSA-N 0 0 401.375 1.418 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000103965799 560845457 /nfs/dbraw/zinc/84/54/57/560845457.db2.gz KVPGGKDRJGYGJE-GOEBONIOSA-N 0 0 412.314 1.804 50 5 HDBARN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000049632636 568452734 /nfs/dbraw/zinc/45/27/34/568452734.db2.gz DCAKNOMRQBAGLV-KGLIPLIRSA-N 0 0 407.448 1.884 50 5 HDBARN CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000000640993 568456695 /nfs/dbraw/zinc/45/66/95/568456695.db2.gz COJROSKWYDTYSU-UHFFFAOYSA-N 0 0 412.450 1.627 50 5 biogenic HDBARN Cc1cccn2c1nc1c(cc(C(=O)NCCN3CCOCC3)c(=N)n1C(C)C)c2=O ZINC000000794703 568480943 /nfs/dbraw/zinc/48/09/43/568480943.db2.gz GQOSQENPEBOJNW-UHFFFAOYSA-N 0 0 424.505 1.080 50 5 HDBARN O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000019991044 568586274 /nfs/dbraw/zinc/58/62/74/568586274.db2.gz IYCNTPSBZJQPLK-NRFANRHFSA-N 0 0 411.414 1.692 50 5 HDBARN Cc1nn(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000020604566 568636009 /nfs/dbraw/zinc/63/60/09/568636009.db2.gz LIWODNUOBADRID-UHFFFAOYSA-N 0 0 408.436 1.426 50 5 HDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000021469776 568702737 /nfs/dbraw/zinc/70/27/37/568702737.db2.gz SFKHSUQZRTUXTL-ZDUSSCGKSA-N 0 0 406.372 1.689 50 5 HDBARN O=C(Cn1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)c2ccc(Cl)cc21)NC1CC1 ZINC000096291352 568720580 /nfs/dbraw/zinc/72/05/80/568720580.db2.gz KNGQFGAVKMBOLR-UHFFFAOYSA-N 0 0 414.805 1.993 50 5 HDBARN O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000899630 568740625 /nfs/dbraw/zinc/74/06/25/568740625.db2.gz PTYRPRWKYHSUBJ-UHFFFAOYSA-N 0 0 405.432 1.507 50 5 HDBARN CC(=O)[C@@]1(I)C(=O)C(=O)N(c2cc(C)ccc2[N+](=O)[O-])C1=O ZINC000025573267 568822305 /nfs/dbraw/zinc/82/23/05/568822305.db2.gz ZPMLPWRPURVNQY-CYBMUJFWSA-N 0 0 416.127 1.108 50 5 HDBARN NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000057293353 568826089 /nfs/dbraw/zinc/82/60/89/568826089.db2.gz VGLIZBSTKGAFPF-UHFFFAOYSA-N 0 0 419.463 1.003 50 5 HDBARN CC[C@@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000012521865 568841648 /nfs/dbraw/zinc/84/16/48/568841648.db2.gz XKFPCXVKYYOTOW-YPMHNXCESA-N 0 0 413.452 1.148 50 5 HDBARN CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000030030084 568856797 /nfs/dbraw/zinc/85/67/97/568856797.db2.gz BGFNAYCECZYZOQ-GOSISDBHSA-N 0 0 410.430 1.836 50 5 HDBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(=O)[nH]c1 ZINC000003299924 568875892 /nfs/dbraw/zinc/87/58/92/568875892.db2.gz ADDLKBMLGILEMP-UHFFFAOYSA-N 0 0 406.401 1.825 50 5 HDBARN Cn1nc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1=O ZINC000003454354 568906194 /nfs/dbraw/zinc/90/61/94/568906194.db2.gz BOQKTWDDQXDRFQ-UHFFFAOYSA-N 0 0 421.416 1.230 50 5 HDBARN C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157456 568946989 /nfs/dbraw/zinc/94/69/89/568946989.db2.gz GKWWSMLMOAPXHH-JRRBAZMTSA-N 0 0 400.387 1.740 50 5 HDBARN CCCCN(CCO)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000084744404 568957917 /nfs/dbraw/zinc/95/79/17/568957917.db2.gz PLMNLTJNWMNPGD-UHFFFAOYSA-N 0 0 400.501 1.130 50 5 HDBARN C[C@H](C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000012783045 568958535 /nfs/dbraw/zinc/95/85/35/568958535.db2.gz QVFAWNSXUPRAQF-OLZOCXBDSA-N 0 0 417.418 1.770 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000035461847 569038060 /nfs/dbraw/zinc/03/80/60/569038060.db2.gz YAOFXBFQULHTKI-UHFFFAOYSA-N 0 0 404.448 1.783 50 5 HDBARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247717072 569057490 /nfs/dbraw/zinc/05/74/90/569057490.db2.gz OEFLGVMKOKDVDW-TVFCKZIOSA-N 0 0 404.382 1.596 50 5 HDBARN CC1CCC(NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007159931 569226050 /nfs/dbraw/zinc/22/60/50/569226050.db2.gz QWDZKXFMIFPOIW-KWVKFQHESA-N 0 0 411.480 1.414 50 5 HDBARN CNc1c(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000170596216 569241921 /nfs/dbraw/zinc/24/19/21/569241921.db2.gz VFYDSCMBKXQPSL-UHFFFAOYSA-N 0 0 412.450 1.500 50 5 HDBARN O=C(Cn1cc([N+](=O)[O-])c(C(F)(F)F)n1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000170596267 569241933 /nfs/dbraw/zinc/24/19/33/569241933.db2.gz DBFZMPLRXWQFSP-UHFFFAOYSA-N 0 0 401.257 1.887 50 5 HDBARN COCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1c(C)cccn1c2=O ZINC000002253222 569282624 /nfs/dbraw/zinc/28/26/24/569282624.db2.gz CTBXWLIBWHUSRD-UHFFFAOYSA-N 0 0 418.457 1.408 50 5 HDBARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000002157820 569290014 /nfs/dbraw/zinc/29/00/14/569290014.db2.gz NEVZMOXOPLRTIA-GDNBJRDFSA-N 0 0 415.402 1.491 50 5 HDBARN COc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000013148406 569410102 /nfs/dbraw/zinc/41/01/02/569410102.db2.gz VHSMIRFMJACAFM-UHFFFAOYSA-N 0 0 409.376 1.046 50 5 HDBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000008753020 571112415 /nfs/dbraw/zinc/11/24/15/571112415.db2.gz IFWKAZNLZHQIQE-LJQANCHMSA-N 0 0 411.374 1.099 50 5 HDBARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000008876996 571130827 /nfs/dbraw/zinc/13/08/27/571130827.db2.gz YHJCTAVWEVKNKH-IBGZPJMESA-N 0 0 412.358 1.250 50 5 HDBARN O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040115432 571173157 /nfs/dbraw/zinc/17/31/57/571173157.db2.gz GQOMLUNGWZNELW-KGLIPLIRSA-N 0 0 416.356 1.333 50 5 HDBARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccnc1[N+](=O)[O-] ZINC000009119452 571224715 /nfs/dbraw/zinc/22/47/15/571224715.db2.gz CJWAVGJWUNOBES-UHFFFAOYSA-N 0 0 410.408 1.266 50 5 HDBARN CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000245327751 571224863 /nfs/dbraw/zinc/22/48/63/571224863.db2.gz QENNDIHQKKQBCK-QMTHXVAHSA-N 0 0 416.390 1.492 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1 ZINC000009126078 571226440 /nfs/dbraw/zinc/22/64/40/571226440.db2.gz RLEPGUHQVKMRAS-UHFFFAOYSA-N 0 0 415.435 1.081 50 5 HDBARN Cn1c2nc3n(cc(-c4ccc([N+](=O)[O-])cc4)n3C[C@@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000009159354 571232308 /nfs/dbraw/zinc/23/23/08/571232308.db2.gz YYRLXQUWGHHTGD-AWEZNQCLSA-N 0 0 424.417 1.441 50 5 HDBARN Cc1ccc(S(=O)(=O)n2ccn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000009660475 571277286 /nfs/dbraw/zinc/27/72/86/571277286.db2.gz UHAAKUMIRWZQCM-UHFFFAOYSA-N 0 0 416.415 1.742 50 5 HDBARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000009924405 571290385 /nfs/dbraw/zinc/29/03/85/571290385.db2.gz YMDWOZGKAPWPFF-LBPRGKRZSA-N 0 0 407.423 1.984 50 5 HDBARN COc1cccc(-n2c3nc(-c4ccc([N+](=O)[O-])cc4)nc(C(N)=O)c3[nH]c2=O)c1 ZINC000010187994 571296258 /nfs/dbraw/zinc/29/62/58/571296258.db2.gz XINVWUFKPZWYIX-UHFFFAOYSA-N 0 0 406.358 1.792 50 5 HDBARN O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N1 ZINC000004597671 132279727 /nfs/dbraw/zinc/27/97/27/132279727.db2.gz UREPBLBDZNBSNA-UHFFFAOYSA-N 0 0 416.459 1.990 50 5 HDBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000012628117 132365254 /nfs/dbraw/zinc/36/52/54/132365254.db2.gz ZYFOWCSUBUCHLF-UHFFFAOYSA-N 0 0 416.463 1.212 50 5 HDBARN COc1cc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC ZINC000032430757 522112993 /nfs/dbraw/zinc/11/29/93/522112993.db2.gz MTNDEQCKLWVPPU-UPJWGTAASA-N 0 0 411.455 1.848 50 5 HDBARN CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O ZINC000004710246 534663544 /nfs/dbraw/zinc/66/35/44/534663544.db2.gz IXLMWYVEYGQIQX-KUHUBIRLSA-N 0 0 402.407 1.219 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000036007110 558796675 /nfs/dbraw/zinc/79/66/75/558796675.db2.gz PWZCQIWSPQSGHQ-UHFFFAOYSA-N 0 0 418.475 1.712 50 5 HDBARN CS(=O)(=O)c1ccc(NCCNC(=O)c2[nH]nc3ccccc32)c([N+](=O)[O-])c1 ZINC000016784826 558807001 /nfs/dbraw/zinc/80/70/01/558807001.db2.gz JKHYTEVJGJQQDC-UHFFFAOYSA-N 0 0 403.420 1.717 50 5 HDBARN COc1cccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 ZINC000023108054 559010807 /nfs/dbraw/zinc/01/08/07/559010807.db2.gz WMRCKZCDGSSFCS-LJQANCHMSA-N 0 0 421.475 1.955 50 5 HDBARN COCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1ccccn1c2=O ZINC000100826629 559141202 /nfs/dbraw/zinc/14/12/02/559141202.db2.gz QPCPKSDLJYEOJP-UHFFFAOYSA-N 0 0 424.482 1.916 50 5 HDBARN CNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccc(OC)cc2)c1=N ZINC000100751584 559263217 /nfs/dbraw/zinc/26/32/17/559263217.db2.gz QXPABZAHAVUOTQ-UHFFFAOYSA-N 0 0 403.442 1.740 50 5 biogenic HDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C1O ZINC000100861505 560760370 /nfs/dbraw/zinc/76/03/70/560760370.db2.gz KVPGGKDRJGYGJE-ZBFHGGJFSA-N 0 0 412.314 1.804 50 5 HDBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1ccncc1 ZINC000101228840 560789261 /nfs/dbraw/zinc/78/92/61/560789261.db2.gz SYXPGVQDRZPFLP-HKOYGPOVSA-N 0 0 403.398 1.499 50 5 HDBARN COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000102592281 560817551 /nfs/dbraw/zinc/81/75/51/560817551.db2.gz ZPAJTGLQEDDWHE-STQMWFEESA-N 0 0 419.390 1.260 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C1O ZINC000103561504 560843186 /nfs/dbraw/zinc/84/31/86/560843186.db2.gz VHNIXYXGZOURIT-HOCLYGCPSA-N 0 0 412.314 1.804 50 5 HDBARN Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2ccc([N+](=O)[O-])o2)c1=O ZINC000012072207 560888532 /nfs/dbraw/zinc/88/85/32/560888532.db2.gz CUWWRAMHUWUWHZ-UHFFFAOYSA-N 0 0 422.401 1.881 50 5 HDBARN CC1CCC(NS(=O)(=O)c2ccc(N(C)C[C@H](O)CO)c([N+](=O)[O-])c2)CC1 ZINC000095456945 568617918 /nfs/dbraw/zinc/61/79/18/568617918.db2.gz IBMXLUPYKFQNIN-RUXDESIVSA-N 0 0 401.485 1.241 50 5 HDBARN O=[N+]([O-])c1ccc(N2CCN(Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)cc1 ZINC000025059857 568742275 /nfs/dbraw/zinc/74/22/75/568742275.db2.gz NQGRSBLGWJHTIA-INIZCTEOSA-N 0 0 405.484 1.676 50 5 HDBARN COc1ccc(C(=O)NCC(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] ZINC000025406502 568768311 /nfs/dbraw/zinc/76/83/11/568768311.db2.gz ZECNYOZIGSDULV-UHFFFAOYSA-N 0 0 423.429 1.894 50 5 HDBARN CCCS(=O)(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000225748272 568780516 /nfs/dbraw/zinc/78/05/16/568780516.db2.gz HAVNWLXOSQLIJB-UHFFFAOYSA-N 0 0 416.475 1.734 50 5 HDBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2nonc21 ZINC000015162310 568818391 /nfs/dbraw/zinc/81/83/91/568818391.db2.gz OJLYYNYYRVXNQU-UHFFFAOYSA-N 0 0 407.383 1.781 50 5 HDBARN CCOC(=O)CS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000003023974 568840944 /nfs/dbraw/zinc/84/09/44/568840944.db2.gz PKTZJTDHXLOHEL-UHFFFAOYSA-N 0 0 420.443 1.904 50 5 HDBARN CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(N2CCN(C(=O)Nc3ccccc3)CC2)N1C ZINC000003190011 568860621 /nfs/dbraw/zinc/86/06/21/568860621.db2.gz BQAHNQVRCCKKJK-UHFFFAOYSA-N 0 0 417.426 1.283 50 5 HDBARN CNC(=O)c1ccc(N(C)C[C@H](O)COCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000057994876 568873078 /nfs/dbraw/zinc/87/30/78/568873078.db2.gz ZHMNRLLRDNTUMW-HNNXBMFYSA-N 0 0 417.418 1.697 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000003308834 568877723 /nfs/dbraw/zinc/87/77/23/568877723.db2.gz CYMVNPXKJKABKG-UHFFFAOYSA-N 0 0 413.795 1.842 50 5 HDBARN CNS(=O)(=O)c1ccc(N2CCC(c3nnc(C4CC4)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000058218611 568900728 /nfs/dbraw/zinc/90/07/28/568900728.db2.gz GCPBOJBBZIXUFT-UHFFFAOYSA-N 0 0 406.468 1.882 50 5 HDBARN O=C1CN(CCO)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000016031399 569027908 /nfs/dbraw/zinc/02/79/08/569027908.db2.gz RHYKTIDFCSCRPA-NQIIRXRSSA-N 0 0 420.425 1.753 50 5 HDBARN CCOC(=O)C1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 ZINC000016213782 569029912 /nfs/dbraw/zinc/02/99/12/569029912.db2.gz KYVMEPZJBAGZMG-UHFFFAOYSA-N 0 0 413.452 1.163 50 5 HDBARN Cc1c(NC(=O)CCN2CCN(C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000026345393 569031399 /nfs/dbraw/zinc/03/13/99/569031399.db2.gz MDUSVZLRFKLTHY-UHFFFAOYSA-N 0 0 405.455 1.302 50 5 HDBARN COC(=O)[C@]1(C(F)(F)F)N=C(c2cccc([N+](=O)[O-])c2)OC(N2CCOCC2)=N1 ZINC000001870513 569056801 /nfs/dbraw/zinc/05/68/01/569056801.db2.gz HWOFDGAQJHUZNM-HNNXBMFYSA-N 0 0 416.312 1.491 50 5 HDBARN CNC(=O)[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccccc1 ZINC000089568470 569070361 /nfs/dbraw/zinc/07/03/61/569070361.db2.gz GZROOOYLOLRAOP-GOSISDBHSA-N 0 0 421.413 1.666 50 5 HDBARN COCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000036251537 569119988 /nfs/dbraw/zinc/11/99/88/569119988.db2.gz WASYCKXSLJXMBD-LJQANCHMSA-N 0 0 418.494 1.674 50 5 HDBARN NC(=O)c1ccc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000013131142 569211395 /nfs/dbraw/zinc/21/13/95/569211395.db2.gz SGAQKSJSRGWRFT-UHFFFAOYSA-N 0 0 410.433 1.072 50 5 HDBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000007141083 569225577 /nfs/dbraw/zinc/22/55/77/569225577.db2.gz WQWVALYCTKXNDH-UHFFFAOYSA-N 0 0 406.416 1.973 50 5 HDBARN Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)co1 ZINC000010220370 569253375 /nfs/dbraw/zinc/25/33/75/569253375.db2.gz XVZZINCWCFKFMI-UHFFFAOYSA-N 0 0 417.403 1.986 50 5 HDBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C ZINC000014208903 569258955 /nfs/dbraw/zinc/25/89/55/569258955.db2.gz HZRIBJRFDSFRSW-OAHLLOKOSA-N 0 0 411.480 1.471 50 5 HDBARN CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O ZINC000016956635 569268310 /nfs/dbraw/zinc/26/83/10/569268310.db2.gz UCPQMLNEVWWEOG-LLHLMSRXSA-N 0 0 416.434 1.606 50 5 HDBARN N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1 ZINC000137125809 569359440 /nfs/dbraw/zinc/35/94/40/569359440.db2.gz GGYAXPJADJBMLE-HUUCEWRRSA-N 0 0 423.473 1.216 50 5 HDBARN Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008721922 571107287 /nfs/dbraw/zinc/10/72/87/571107287.db2.gz SSTUTSIJCQKTCZ-UHFFFAOYSA-N 0 0 408.392 1.431 50 5 HDBARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000040007776 571137941 /nfs/dbraw/zinc/13/79/41/571137941.db2.gz QELLLDNVWBQKGB-UHFFFAOYSA-N 0 0 422.445 1.938 50 5 HDBARN COc1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC ZINC000040081295 571156062 /nfs/dbraw/zinc/15/60/62/571156062.db2.gz MTNDEQCKLWVPPU-YNEHKIRRSA-N 0 0 411.455 1.848 50 5 HDBARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000040144994 571195029 /nfs/dbraw/zinc/19/50/29/571195029.db2.gz AEOFNPAAOJUJQJ-CABCVRRESA-N 0 0 419.415 1.862 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(N)=O ZINC000009090051 571220432 /nfs/dbraw/zinc/22/04/32/571220432.db2.gz KEKUGUJXCCMEHX-OWYHZJEWSA-N 0 0 418.409 1.778 50 5 HDBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@H]2C1 ZINC000245255675 571220998 /nfs/dbraw/zinc/22/09/98/571220998.db2.gz KLLYTEPSLGRWKC-IAQYHMDHSA-N 0 0 402.476 1.958 50 5 HDBARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c([N+](=O)[O-])c1 ZINC000009373557 571252616 /nfs/dbraw/zinc/25/26/16/571252616.db2.gz XYOFLMQAICQOFQ-UHFFFAOYSA-N 0 0 401.408 1.702 50 5 HDBARN COC(=O)c1ccc2c(c1)nc(COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)[nH]c2=O ZINC000009634547 571275069 /nfs/dbraw/zinc/27/50/69/571275069.db2.gz QIEAYSJZFBANDA-UHFFFAOYSA-N 0 0 415.362 1.175 50 5 HDBARN CNc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C)o3)CC2)cc1[N+](=O)[O-] ZINC000009635603 571275166 /nfs/dbraw/zinc/27/51/66/571275166.db2.gz KEWQFDSWCGRSEA-UHFFFAOYSA-N 0 0 424.439 1.367 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O ZINC000010188063 571296358 /nfs/dbraw/zinc/29/63/58/571296358.db2.gz MCEKNSGFQDKHMS-SNVBAGLBSA-N 0 0 405.388 1.775 50 5 HDBARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000008050715 132327226 /nfs/dbraw/zinc/32/72/26/132327226.db2.gz MPYKXEGNBAJLCY-UHFFFAOYSA-N 0 0 413.434 1.605 50 5 HDBARN O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 ZINC000008971599 132334392 /nfs/dbraw/zinc/33/43/92/132334392.db2.gz IIWQSFYIIPFJMB-BEFAXECRSA-N 0 0 400.460 1.902 50 5 HDBARN CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 ZINC000032778073 520477617 /nfs/dbraw/zinc/47/76/17/520477617.db2.gz UGWZDMRKERFGOV-UHFFFAOYSA-N 0 0 405.499 1.677 50 5 HDBARN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(N3CCCC3)cc2)c1=O ZINC000044712367 521917217 /nfs/dbraw/zinc/91/72/17/521917217.db2.gz YHASIFUMEZCSTI-UHFFFAOYSA-N 0 0 400.391 1.782 50 5 HDBARN COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000032895551 525070696 /nfs/dbraw/zinc/07/06/96/525070696.db2.gz HRTXEKTYAILTGN-KRWDZBQOSA-N 0 0 421.475 1.955 50 5 HDBARN C[C@H]1CCCCN1C(=O)CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000032770238 526242576 /nfs/dbraw/zinc/24/25/76/526242576.db2.gz IEXGISBTVCVRNK-INIZCTEOSA-N 0 0 400.483 1.921 50 5 HDBARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@@]2(c2cccc([N+](=O)[O-])c2)NN1 ZINC000004719442 558916623 /nfs/dbraw/zinc/91/66/23/558916623.db2.gz LUFWWQPZKNTNBC-YWZLYKJASA-N 0 0 408.370 1.502 50 5 HDBARN COc1cccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)c1 ZINC000023108061 559010824 /nfs/dbraw/zinc/01/08/24/559010824.db2.gz CMHFMIWULAKMGB-SFHVURJKSA-N 0 0 421.475 1.955 50 5 HDBARN N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 ZINC000100627265 559137109 /nfs/dbraw/zinc/13/71/09/559137109.db2.gz KUXUMXOWEWRGNF-AWEZNQCLSA-N 0 0 419.441 1.679 50 5 HDBARN O=C(NC[C@@H]1CCCO1)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000004979811 559222802 /nfs/dbraw/zinc/22/28/02/559222802.db2.gz CVIFNYRJFKKFCG-IRXDYDNUSA-N 0 0 403.435 1.569 50 5 HDBARN Cc1ccc(Cc2nn3c(=O)/c(=C\c4cccc([N+](=O)[O-])c4)sc3nc2=O)cc1 ZINC000005006655 559227535 /nfs/dbraw/zinc/22/75/35/559227535.db2.gz VHFGCXISWVROLT-GZTJUZNOSA-N 0 0 406.423 1.866 50 5 HDBARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000012401617 560211715 /nfs/dbraw/zinc/21/17/15/560211715.db2.gz PZSOXNOGNYAAIA-AWEZNQCLSA-N 0 0 402.359 1.687 50 5 biogenic,in-vitro HDBARN C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000102128720 560807883 /nfs/dbraw/zinc/80/78/83/560807883.db2.gz QCZPONTWOFZWJL-RCBQFDQVSA-N 0 0 415.402 1.806 50 5 HDBARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000102283144 560809601 /nfs/dbraw/zinc/80/96/01/560809601.db2.gz BJUJKGYJNCVILZ-GASCZTMLSA-N 0 0 404.375 1.680 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)C(=O)NCC(C)C)CC1 ZINC000014916284 568455178 /nfs/dbraw/zinc/45/51/78/568455178.db2.gz NPOGKEJZABXBQD-OAHLLOKOSA-N 0 0 412.512 1.370 50 5 HDBARN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(Br)c1 ZINC000024864761 568472883 /nfs/dbraw/zinc/47/28/83/568472883.db2.gz DPHGIYYOXRDJMF-UHFFFAOYSA-N 0 0 409.196 1.565 50 5 HDBARN O=[N+]([O-])c1c2nonc2c(N2CCN(c3ncccn3)CC2)cc1NCCCO ZINC000020108066 568588509 /nfs/dbraw/zinc/58/85/09/568588509.db2.gz CWSOEGHKQGQDRW-UHFFFAOYSA-N 0 0 400.399 1.042 50 5 HDBARN CC1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](O)C[C@@H]3CO)c([N+](=O)[O-])c2)CC1 ZINC000095446164 568611847 /nfs/dbraw/zinc/61/18/47/568611847.db2.gz ZNDNRYUQUWWGHV-CVSAEHQPSA-N 0 0 413.496 1.384 50 5 HDBARN O=[N+]([O-])c1ccc(Nc2nc(NCCN3CCOCC3)nc(N3CCCC3)n2)cc1 ZINC000020757286 568641960 /nfs/dbraw/zinc/64/19/60/568641960.db2.gz KROWHBHZYVNFLJ-UHFFFAOYSA-N 0 0 414.470 1.868 50 5 HDBARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000096444317 568752486 /nfs/dbraw/zinc/75/24/86/568752486.db2.gz QGLIIJPGIWVTRK-LLVKDONJSA-N 0 0 406.878 1.965 50 5 HDBARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000022061466 568764590 /nfs/dbraw/zinc/76/45/90/568764590.db2.gz RYOJHRLNSNIXAS-KRWDZBQOSA-N 0 0 421.475 1.730 50 5 HDBARN CC(=O)Nc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000001146196 568772464 /nfs/dbraw/zinc/77/24/64/568772464.db2.gz DDAHCRBRLUXNCU-UHFFFAOYSA-N 0 0 406.420 1.958 50 5 HDBARN Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000225667035 568778336 /nfs/dbraw/zinc/77/83/36/568778336.db2.gz OUHRIFAUDXBBMX-QGZVFWFLSA-N 0 0 417.447 1.955 50 5 HDBARN CCn1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c(C(N)=O)n1 ZINC000002781283 568808376 /nfs/dbraw/zinc/80/83/76/568808376.db2.gz FTHMIIAPDVEFGY-UHFFFAOYSA-N 0 0 401.383 1.617 50 5 HDBARN Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002786299 568808957 /nfs/dbraw/zinc/80/89/57/568808957.db2.gz TWEADGKTBDLFGQ-UHFFFAOYSA-N 0 0 407.330 1.405 50 5 HDBARN COc1ccc(CCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000002816822 568812248 /nfs/dbraw/zinc/81/22/48/568812248.db2.gz WZZZRTNIPPGCTI-UHFFFAOYSA-N 0 0 407.448 1.728 50 5 HDBARN O=C(NCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000034899868 568831804 /nfs/dbraw/zinc/83/18/04/568831804.db2.gz JRUXMHYDESHPLD-UHFFFAOYSA-N 0 0 424.457 1.993 50 5 HDBARN Cn1cnnc1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000031653430 568837450 /nfs/dbraw/zinc/83/74/50/568837450.db2.gz DNYOJJQJZGZAEG-CQSZACIVSA-N 0 0 420.495 1.892 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCc2cccnc2)CC1 ZINC000012528519 568843929 /nfs/dbraw/zinc/84/39/29/568843929.db2.gz OUMYTCQDYWKYKA-UHFFFAOYSA-N 0 0 419.463 1.514 50 5 HDBARN O=C(NCCc1ccccn1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012536832 568845844 /nfs/dbraw/zinc/84/58/44/568845844.db2.gz UHCOSKNDYOYASC-SFHVURJKSA-N 0 0 418.475 1.892 50 5 HDBARN COc1cc(OC)cc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000012552368 568854175 /nfs/dbraw/zinc/85/41/75/568854175.db2.gz JZSFXNCVONNQHD-UHFFFAOYSA-N 0 0 423.447 1.857 50 5 HDBARN O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccccc1 ZINC000003288979 568872834 /nfs/dbraw/zinc/87/28/34/568872834.db2.gz NIYIRZIBOQQXDT-UHFFFAOYSA-N 0 0 411.370 1.441 50 5 HDBARN COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000012640286 568885328 /nfs/dbraw/zinc/88/53/28/568885328.db2.gz FYCVBUQHXKODIT-STQMWFEESA-N 0 0 417.374 1.036 50 5 HDBARN C[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C(=O)c2ccccc2C1=O ZINC000003480300 568908315 /nfs/dbraw/zinc/90/83/15/568908315.db2.gz KUYRPWRGULHJJF-SNVBAGLBSA-N 0 0 415.333 1.900 50 5 HDBARN O=C1c2ccccc2S(=O)(=O)N1CCn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000012763085 568946700 /nfs/dbraw/zinc/94/67/00/568946700.db2.gz NHAJQEZCIHBPOC-UHFFFAOYSA-N 0 0 400.372 1.149 50 5 HDBARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000004155591 568946959 /nfs/dbraw/zinc/94/69/59/568946959.db2.gz TYHDKYXITYHVRL-UHFFFAOYSA-N 0 0 411.461 1.556 50 5 HDBARN O=C(OCc1nonc1COC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1 ZINC000008456476 569003845 /nfs/dbraw/zinc/00/38/45/569003845.db2.gz RQTYGYWCJLMFHV-UHFFFAOYSA-N 0 0 408.235 1.786 50 5 HDBARN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012928578 569024284 /nfs/dbraw/zinc/02/42/84/569024284.db2.gz PBBNXSZLHAQSTI-ZDUSSCGKSA-N 0 0 410.438 1.421 50 5 HDBARN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000016213078 569029881 /nfs/dbraw/zinc/02/98/81/569029881.db2.gz NUJLSGAMYOYQBI-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000016213316 569030520 /nfs/dbraw/zinc/03/05/20/569030520.db2.gz GGYAXPJADJBMLE-CABCVRRESA-N 0 0 423.473 1.216 50 5 HDBARN O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000035870324 569063909 /nfs/dbraw/zinc/06/39/09/569063909.db2.gz KIBZXMCSPMWZRM-WMZOPIPTSA-N 0 0 410.430 1.970 50 5 HDBARN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12)N1CCCC1 ZINC000035894925 569065152 /nfs/dbraw/zinc/06/51/52/569065152.db2.gz GLYFNQKHNNZWMZ-IEBWSBKVSA-N 0 0 408.462 1.875 50 5 HDBARN COCCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000002057943 569072469 /nfs/dbraw/zinc/07/24/69/569072469.db2.gz HTOYYBFKPCUWJL-SFHVURJKSA-N 0 0 411.414 1.955 50 5 HDBARN O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000089814461 569266468 /nfs/dbraw/zinc/26/64/68/569266468.db2.gz LTRMWWPZYIHNFR-UHFFFAOYSA-N 0 0 423.422 1.646 50 5 HDBARN COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CN2CCOCC2)cc1=O ZINC000016974816 569269765 /nfs/dbraw/zinc/26/97/65/569269765.db2.gz CKRPPABLMZQUHW-UHFFFAOYSA-N 0 0 402.407 1.236 50 5 HDBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000027370025 569298195 /nfs/dbraw/zinc/29/81/95/569298195.db2.gz GOZUBJRQBGSSHR-YJBOKZPZSA-N 0 0 407.471 1.043 50 5 HDBARN C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000241869087 569312908 /nfs/dbraw/zinc/31/29/08/569312908.db2.gz SUHLTYURFCLCCA-MBNYWOFBSA-N 0 0 417.418 1.817 50 5 HDBARN COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000002365843 569385667 /nfs/dbraw/zinc/38/56/67/569385667.db2.gz SWMHETPEHZQBNU-UHFFFAOYSA-N 0 0 409.420 1.232 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000012633892 569402314 /nfs/dbraw/zinc/40/23/14/569402314.db2.gz MFIKPBUJIUMLEW-UHFFFAOYSA-N 0 0 405.480 1.581 50 5 HDBARN CC(C)[C@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000012867563 569404362 /nfs/dbraw/zinc/40/43/62/569404362.db2.gz KFGSDEOGFUETDF-INIZCTEOSA-N 0 0 412.468 1.335 50 5 HDBARN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000078877249 569421183 /nfs/dbraw/zinc/42/11/83/569421183.db2.gz IDGOOYUZUGREKW-UHFFFAOYSA-N 0 0 419.463 1.555 50 5 HDBARN CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000067286305 571064676 /nfs/dbraw/zinc/06/46/76/571064676.db2.gz URRFGNDBJMIEHV-MRXNPFEDSA-N 0 0 406.464 1.815 50 5 HDBARN Nc1[nH]c(=S)[nH]c(=O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(N)[nH]c(=S)[nH]c1=O ZINC000008636849 571097101 /nfs/dbraw/zinc/09/71/01/571097101.db2.gz PVDKMTPPGBQOTO-UHFFFAOYSA-N 0 0 419.448 1.431 50 5 HDBARN O=C(NCc1ccnc(N2CCOCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000040105435 571166131 /nfs/dbraw/zinc/16/61/31/571166131.db2.gz UDMYLJLVLXQDLP-UHFFFAOYSA-N 0 0 408.418 1.942 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000009166229 571232715 /nfs/dbraw/zinc/23/27/15/571232715.db2.gz KUHQSUMGHCSFST-UHFFFAOYSA-N 0 0 415.435 1.081 50 5 HDBARN C[C@@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009195992 571235923 /nfs/dbraw/zinc/23/59/23/571235923.db2.gz QCZPONTWOFZWJL-WQVCFCJDSA-N 0 0 415.402 1.806 50 5 HDBARN COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000009576249 571269687 /nfs/dbraw/zinc/26/96/87/571269687.db2.gz RXPURAWSBWKNDC-NSHDSACASA-N 0 0 419.887 1.800 50 5 HDBARN COc1cc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])ccc1I ZINC000010233841 571297714 /nfs/dbraw/zinc/29/77/14/571297714.db2.gz UDDXLHUZXBOGBE-UHFFFAOYSA-N 0 0 423.188 1.950 50 5 HDBARN CN(C)C(=O)COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009986097 571293604 /nfs/dbraw/zinc/29/36/04/571293604.db2.gz ROPDGRXHOOPDCB-UHFFFAOYSA-N 0 0 408.388 1.608 50 5 HDBARN COc1cccc(-n2c3nc(-c4ccccc4[N+](=O)[O-])nc(C(N)=O)c3[nH]c2=O)c1 ZINC000010187993 571296213 /nfs/dbraw/zinc/29/62/13/571296213.db2.gz KNNGBKXJQBYCAZ-UHFFFAOYSA-N 0 0 406.358 1.792 50 5 HDBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000004399929 132276491 /nfs/dbraw/zinc/27/64/91/132276491.db2.gz DAVHTXJVSXWJNK-UHFFFAOYSA-N 0 0 409.402 1.780 50 5 HDBARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004669544 132281879 /nfs/dbraw/zinc/28/18/79/132281879.db2.gz VGMILDVSDOQREH-MRXNPFEDSA-N 0 0 424.523 1.695 50 5 HDBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000005930463 132308554 /nfs/dbraw/zinc/30/85/54/132308554.db2.gz YMQHFTZTUVCYFE-UHFFFAOYSA-N 0 0 405.432 1.877 50 5 HDBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@@H]2C1 ZINC000006669701 132312816 /nfs/dbraw/zinc/31/28/16/132312816.db2.gz KLLYTEPSLGRWKC-ABAIWWIYSA-N 0 0 402.476 1.958 50 5 HDBARN CCOC(=O)c1cnn(C2CCCC2)c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000225696952 521580945 /nfs/dbraw/zinc/58/09/45/521580945.db2.gz KVLNPXWSZJNZJU-UHFFFAOYSA-N 0 0 403.395 1.884 50 5 HDBARN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000032958704 525325994 /nfs/dbraw/zinc/32/59/94/525325994.db2.gz ACSMKPZDAXFGPS-GFCCVEGCSA-N 0 0 418.841 1.505 50 5 HDBARN O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000010834157 558478129 /nfs/dbraw/zinc/47/81/29/558478129.db2.gz ZZZBTYADSDRNLQ-ZDUSSCGKSA-N 0 0 411.411 1.955 50 5 HDBARN COc1cccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)c1 ZINC000023108051 559010874 /nfs/dbraw/zinc/01/08/74/559010874.db2.gz WCELIDCMEQUITP-LJQANCHMSA-N 0 0 421.475 1.955 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N ZINC000100627161 559137102 /nfs/dbraw/zinc/13/71/02/559137102.db2.gz GRXZLTTYAXEDPD-UHFFFAOYSA-N 0 0 417.469 1.943 50 5 HDBARN Cc1cccn2c1nc1c(cc(C(=O)NC3CCCCC3)c(=N)n1CCCO)c2=O ZINC000100630578 559247030 /nfs/dbraw/zinc/24/70/30/559247030.db2.gz DKINKGXPKMBTQP-UHFFFAOYSA-N 0 0 409.490 1.882 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccco2)c1=N ZINC000100912476 560762458 /nfs/dbraw/zinc/76/24/58/560762458.db2.gz YDZYLRDYDBMZNH-UHFFFAOYSA-N 0 0 421.457 1.845 50 5 HDBARN CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NC(C)C)[C@H]2C1 ZINC000104919910 560856797 /nfs/dbraw/zinc/85/67/97/560856797.db2.gz XNXIIORTNVDXJI-PKOBYXMFSA-N 0 0 417.510 1.307 50 5 HDBARN CCOc1nn(CCCNS(=O)(=O)c2c(C)nn(CC)c2C)cc1[N+](=O)[O-] ZINC000036614673 560882208 /nfs/dbraw/zinc/88/22/08/560882208.db2.gz JPBCLAFHQSSOAT-UHFFFAOYSA-N 0 0 400.461 1.392 50 5 HDBARN COCCn1cc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1=O ZINC000047246305 560885354 /nfs/dbraw/zinc/88/53/54/560885354.db2.gz VQFVYGNCRHSVKU-UHFFFAOYSA-N 0 0 405.407 1.393 50 5 HDBARN O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000048312394 568439009 /nfs/dbraw/zinc/43/90/09/568439009.db2.gz WOYGQNLXWBXEBL-HNNXBMFYSA-N 0 0 423.495 1.373 50 5 HDBARN Cc1ccccc1C(=O)NC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000048375412 568442480 /nfs/dbraw/zinc/44/24/80/568442480.db2.gz OKHGUWYTGAHHOL-UHFFFAOYSA-N 0 0 418.475 1.949 50 5 HDBARN Cc1nc2c(c(C)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C ZINC000020284192 568597048 /nfs/dbraw/zinc/59/70/48/568597048.db2.gz YKOUULWLDUCMBT-UHFFFAOYSA-N 0 0 411.418 1.729 50 5 HDBARN COC[C@H](O)CN1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000095444753 568611523 /nfs/dbraw/zinc/61/15/23/568611523.db2.gz MNHIWJWSVREHLA-GFCCVEGCSA-N 0 0 423.438 1.475 50 5 HDBARN CC[C@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCCC1=O ZINC000095939687 568661500 /nfs/dbraw/zinc/66/15/00/568661500.db2.gz GUKVATCXVOCZHK-QGZVFWFLSA-N 0 0 414.466 1.911 50 5 HDBARN COc1cc2ncn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC ZINC000024984968 568694314 /nfs/dbraw/zinc/69/43/14/568694314.db2.gz IREHJEYAEHOBJR-ZDUSSCGKSA-N 0 0 401.375 1.762 50 5 HDBARN O=C(CNS(=O)(=O)c1ccccc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000002663659 568799703 /nfs/dbraw/zinc/79/97/03/568799703.db2.gz GAOGSWPDTZPQJC-UHFFFAOYSA-N 0 0 408.388 1.483 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000001178410 568819815 /nfs/dbraw/zinc/81/98/15/568819815.db2.gz RSQLEZBFPOCGQK-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000057456082 568837883 /nfs/dbraw/zinc/83/78/83/568837883.db2.gz YOLIVKUMVDYZNW-UHFFFAOYSA-N 0 0 402.373 1.594 50 5 HDBARN Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000003624449 568864650 /nfs/dbraw/zinc/86/46/50/568864650.db2.gz GJAYROXDMVPASQ-UHFFFAOYSA-N 0 0 408.831 1.747 50 5 HDBARN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000012626868 568878795 /nfs/dbraw/zinc/87/87/95/568878795.db2.gz WYCVDKGFXJFYLO-UHFFFAOYSA-N 0 0 419.459 1.687 50 5 HDBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)C2CCCC2)CC1 ZINC000030650068 568879371 /nfs/dbraw/zinc/87/93/71/568879371.db2.gz UKUVZAGKZPTOFW-UHFFFAOYSA-N 0 0 416.478 1.966 50 5 HDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2ccco2)CC1 ZINC000003317895 568879753 /nfs/dbraw/zinc/87/97/53/568879753.db2.gz XZHGZNIRNNVBPU-UHFFFAOYSA-N 0 0 421.793 1.983 50 5 HDBARN O=C(COC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1)Nc1ncc(Cl)cc1Cl ZINC000003376666 568891553 /nfs/dbraw/zinc/89/15/53/568891553.db2.gz OMWIOIIBXJUDSR-UHFFFAOYSA-N 0 0 417.161 1.801 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC000058245012 568905042 /nfs/dbraw/zinc/90/50/42/568905042.db2.gz CNWBCUZQVZSDLO-UHFFFAOYSA-N 0 0 400.434 1.832 50 5 HDBARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000004313840 568961287 /nfs/dbraw/zinc/96/12/87/568961287.db2.gz AUDMXWSEKZUZOP-RYUDHWBXSA-N 0 0 403.391 1.524 50 5 HDBARN O=CN1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000035146266 569000547 /nfs/dbraw/zinc/00/05/47/569000547.db2.gz BXRIGYXJWOMXNY-GOSISDBHSA-N 0 0 404.423 1.197 50 5 HDBARN O=[N+]([O-])c1ccc(Sc2n[nH]c(C3CC3)n2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012845247 569010069 /nfs/dbraw/zinc/01/00/69/569010069.db2.gz DXWROSGLDOGBHT-UHFFFAOYSA-N 0 0 411.465 1.762 50 5 HDBARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016033624 569027835 /nfs/dbraw/zinc/02/78/35/569027835.db2.gz OEFLGVMKOKDVDW-MLHJIOFPSA-N 0 0 404.382 1.596 50 5 HDBARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000006227486 569033452 /nfs/dbraw/zinc/03/34/52/569033452.db2.gz MOBJOODSBQFBFK-HNNXBMFYSA-N 0 0 411.370 1.514 50 5 HDBARN Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000013016506 569050868 /nfs/dbraw/zinc/05/08/68/569050868.db2.gz DVFPGZITZKCIGR-UHFFFAOYSA-N 0 0 421.479 1.400 50 5 HDBARN Cc1cn2nc(N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)sc2n1 ZINC000026691994 569053035 /nfs/dbraw/zinc/05/30/35/569053035.db2.gz GHEJQAHCCOGPNA-UHFFFAOYSA-N 0 0 408.465 1.518 50 5 HDBARN O=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001810705 569056129 /nfs/dbraw/zinc/05/61/29/569056129.db2.gz LCLFPXZCZVRYTI-UHFFFAOYSA-N 0 0 423.765 1.113 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F ZINC000016520462 569058455 /nfs/dbraw/zinc/05/84/55/569058455.db2.gz MJSJAGXNJJLQPY-UHFFFAOYSA-N 0 0 422.438 1.679 50 5 HDBARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000089486458 569061047 /nfs/dbraw/zinc/06/10/47/569061047.db2.gz VWKKHWXDFJUNIB-SECBINFHSA-N 0 0 406.258 1.967 50 5 HDBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1C[C@@H]1CCCO1 ZINC000027053565 569072083 /nfs/dbraw/zinc/07/20/83/569072083.db2.gz WFFQYLLDIYOOGQ-AWEZNQCLSA-N 0 0 402.407 1.336 50 5 HDBARN Cc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C)c1[N+](=O)[O-] ZINC000036615009 569206880 /nfs/dbraw/zinc/20/68/80/569206880.db2.gz ZNTLIUPSSQLOSU-UHFFFAOYSA-N 0 0 406.415 1.985 50 5 HDBARN CN(C)c1noc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)n1 ZINC000170603367 569243965 /nfs/dbraw/zinc/24/39/65/569243965.db2.gz ZOKJWUJOUVNWKF-UHFFFAOYSA-N 0 0 410.456 1.483 50 5 HDBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1C ZINC000014208905 569258932 /nfs/dbraw/zinc/25/89/32/569258932.db2.gz HZRIBJRFDSFRSW-HNNXBMFYSA-N 0 0 411.480 1.471 50 5 HDBARN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444090845 569283892 /nfs/dbraw/zinc/28/38/92/569283892.db2.gz SPOCYZTZKNSMLJ-LLVKDONJSA-N 0 0 421.425 1.853 50 5 HDBARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000009958329 569394533 /nfs/dbraw/zinc/39/45/33/569394533.db2.gz BQFQZRTYLFWUBN-SECBINFHSA-N 0 0 422.423 1.266 50 5 HDBARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000009958330 569394607 /nfs/dbraw/zinc/39/46/07/569394607.db2.gz BQFQZRTYLFWUBN-VIFPVBQESA-N 0 0 422.423 1.266 50 5 HDBARN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(O)(c2scnc2Br)CC1 ZINC000225489411 569400447 /nfs/dbraw/zinc/40/04/47/569400447.db2.gz QVAJUEQJQIVQPV-UHFFFAOYSA-N 0 0 402.230 1.661 50 5 HDBARN COc1cc(CNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)cc(OC)c1OC ZINC000012418754 569400998 /nfs/dbraw/zinc/40/09/98/569400998.db2.gz IPDCXZPEGDEWEA-UHFFFAOYSA-N 0 0 418.366 1.178 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012985835 569405878 /nfs/dbraw/zinc/40/58/78/569405878.db2.gz KUPOZSYLUWTOTK-JQWIXIFHSA-N 0 0 418.855 1.829 50 5 HDBARN CC(C)CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000012989753 569406070 /nfs/dbraw/zinc/40/60/70/569406070.db2.gz PXDNMZDIVLXUED-AWEZNQCLSA-N 0 0 407.452 1.461 50 5 HDBARN Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000008611200 571094719 /nfs/dbraw/zinc/09/47/19/571094719.db2.gz PBZCOXBAOWMJJO-UHFFFAOYSA-N 0 0 408.436 1.426 50 5 HDBARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000008877003 571130892 /nfs/dbraw/zinc/13/08/92/571130892.db2.gz YHJCTAVWEVKNKH-LJQANCHMSA-N 0 0 412.358 1.250 50 5 HDBARN Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)no1 ZINC000008880508 571131435 /nfs/dbraw/zinc/13/14/35/571131435.db2.gz PLVDWMQUQOEHQT-UHFFFAOYSA-N 0 0 419.379 1.361 50 5 HDBARN COc1cccc(CNC(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000008883483 571140811 /nfs/dbraw/zinc/14/08/11/571140811.db2.gz DTNXRHFGJWHUNS-UHFFFAOYSA-N 0 0 422.415 1.480 50 5 HDBARN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000040115804 571173467 /nfs/dbraw/zinc/17/34/67/571173467.db2.gz PDGWKCMBXPSCKO-ONGXEEELSA-N 0 0 408.263 1.492 50 5 HDBARN C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000009053525 571216629 /nfs/dbraw/zinc/21/66/29/571216629.db2.gz NUZPUPBROXSQCW-ZDUSSCGKSA-N 0 0 413.452 1.005 50 5 HDBARN COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)cc1OC ZINC000009404006 571255116 /nfs/dbraw/zinc/25/51/16/571255116.db2.gz LWZOYGCAHZMDRM-UHFFFAOYSA-N 0 0 412.358 1.704 50 5 HDBARN CNc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000009508308 571263961 /nfs/dbraw/zinc/26/39/61/571263961.db2.gz VGLQBMBNJGQOTH-UHFFFAOYSA-N 0 0 408.392 1.079 50 5 HDBARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000009509278 571264041 /nfs/dbraw/zinc/26/40/41/571264041.db2.gz XKGYSSRPVXRTSW-UHFFFAOYSA-N 0 0 411.367 1.438 50 5 HDBARN CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000009571149 571268972 /nfs/dbraw/zinc/26/89/72/571268972.db2.gz GAMVBXMKTPINSN-UHFFFAOYSA-N 0 0 418.435 1.756 50 5 HDBARN COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000009576253 571269682 /nfs/dbraw/zinc/26/96/82/571269682.db2.gz RXPURAWSBWKNDC-LLVKDONJSA-N 0 0 419.887 1.800 50 5 HDBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N[C@H]1CCS(=O)(=O)C1 ZINC000009647927 571276689 /nfs/dbraw/zinc/27/66/89/571276689.db2.gz DJUZRROCAYWQHK-LBPRGKRZSA-N 0 0 408.388 1.315 50 5 HDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000002503479 132255325 /nfs/dbraw/zinc/25/53/25/132255325.db2.gz FTOQIXAIJWUGPL-UHFFFAOYSA-N 0 0 412.377 1.679 50 5 HDBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000004683700 132282816 /nfs/dbraw/zinc/28/28/16/132282816.db2.gz KFENMZBIMUWUHH-HZPDHXFCSA-N 0 0 402.451 1.389 50 5 HDBARN Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4cccc(F)c4)CC3)cc2n(C)c1=O ZINC000004740906 132286692 /nfs/dbraw/zinc/28/66/92/132286692.db2.gz PZSYEDMLXIIDSK-UHFFFAOYSA-N 0 0 413.409 1.887 50 5 HDBARN Cc1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000012783633 132367204 /nfs/dbraw/zinc/36/72/04/132367204.db2.gz FJHNELYPENYZLK-UHFFFAOYSA-N 0 0 409.406 1.547 50 5 HDBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000012864384 132367917 /nfs/dbraw/zinc/36/79/17/132367917.db2.gz AVLPZSUBLHBVCH-ZDUSSCGKSA-N 0 0 410.438 1.864 50 5 HDBARN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032396425 520926259 /nfs/dbraw/zinc/92/62/59/520926259.db2.gz UAZRGTNBAOZKSD-UHFFFAOYSA-N 0 0 406.439 1.842 50 5 HDBARN COc1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC ZINC000032430758 522119568 /nfs/dbraw/zinc/11/95/68/522119568.db2.gz MTNDEQCKLWVPPU-RWMBFGLXSA-N 0 0 411.455 1.848 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019853891 527374962 /nfs/dbraw/zinc/37/49/62/527374962.db2.gz RWHXEFMQPUXCPY-UHFFFAOYSA-N 0 0 405.432 1.830 50 5 HDBARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000004323153 557851125 /nfs/dbraw/zinc/85/11/25/557851125.db2.gz VZWKOQUGOKJFQI-UHFFFAOYSA-N 0 0 418.475 1.477 50 5 HDBARN O=C1c2ccccc2S(=O)(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000022591720 558779563 /nfs/dbraw/zinc/77/95/63/558779563.db2.gz BYSAILLMFYUSFN-UHFFFAOYSA-N 0 0 402.432 1.519 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033399007 559161161 /nfs/dbraw/zinc/16/11/61/559161161.db2.gz YHDCLUNHEPPYDO-KMKOMSMNSA-N 0 0 405.388 1.437 50 5 HDBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3cccnc3)c(=N)n1CCCO)c2=O ZINC000100630563 559247019 /nfs/dbraw/zinc/24/70/19/559247019.db2.gz FFYJFFGLUNMJQL-UHFFFAOYSA-N 0 0 418.457 1.144 50 5 HDBARN CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000017287859 560705881 /nfs/dbraw/zinc/70/58/81/560705881.db2.gz CKEGVQIONYZMBW-UHFFFAOYSA-N 0 0 416.481 1.676 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017991697 560733169 /nfs/dbraw/zinc/73/31/69/560733169.db2.gz CLBDWYSTWYEHGR-VXGBXAGGSA-N 0 0 423.809 1.905 50 5 HDBARN Cc1nn(C)c(C)c1C1=NO[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(O)=C12 ZINC000102725760 560821670 /nfs/dbraw/zinc/82/16/70/560821670.db2.gz XQQZYBNDRKQGGI-HIFRSBDPSA-N 0 0 403.782 1.891 50 5 HDBARN O=C(NCCn1ncc2c1ncn(Cc1cccc([N+](=O)[O-])c1)c2=O)c1ccco1 ZINC000012071913 560888396 /nfs/dbraw/zinc/88/83/96/560888396.db2.gz YXLKGJRTUNCMBH-UHFFFAOYSA-N 0 0 408.374 1.573 50 5 HDBARN Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000020266384 568596331 /nfs/dbraw/zinc/59/63/31/568596331.db2.gz GESAMZKFYPTQDZ-INIZCTEOSA-N 0 0 413.482 1.880 50 5 HDBARN C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000001115971 568770748 /nfs/dbraw/zinc/77/07/48/568770748.db2.gz CHGMRRNXCGYNLZ-KBPBESRZSA-N 0 0 411.480 1.631 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000002661115 568799159 /nfs/dbraw/zinc/79/91/59/568799159.db2.gz XYOILQBYNRZXPU-UHFFFAOYSA-N 0 0 418.383 1.451 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@@H]1CCS(=O)(=O)C1 ZINC000012554167 568854981 /nfs/dbraw/zinc/85/49/81/568854981.db2.gz IESINVODAIYFLS-DGCLKSJQSA-N 0 0 413.452 1.217 50 5 HDBARN COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000057995366 568873316 /nfs/dbraw/zinc/87/33/16/568873316.db2.gz GGKLQQLCTKNHRG-UHFFFAOYSA-N 0 0 419.459 1.888 50 5 HDBARN C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCCCC1 ZINC000015348659 568877548 /nfs/dbraw/zinc/87/75/48/568877548.db2.gz XSFRPCKPPSPRTH-RYUDHWBXSA-N 0 0 417.418 1.960 50 5 HDBARN Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000003309914 568877890 /nfs/dbraw/zinc/87/78/90/568877890.db2.gz CNKWJRNKXOGXEX-UHFFFAOYSA-N 0 0 407.452 1.831 50 5 HDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003496304 568909597 /nfs/dbraw/zinc/90/95/97/568909597.db2.gz MMDNSVKBHGKKSF-UHFFFAOYSA-N 0 0 407.360 1.933 50 5 HDBARN CCOc1ccc(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)cc1 ZINC000003624456 568920649 /nfs/dbraw/zinc/92/06/49/568920649.db2.gz RMNKEIIMFNDAKN-UHFFFAOYSA-N 0 0 418.439 1.493 50 5 HDBARN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000031720812 568929888 /nfs/dbraw/zinc/92/98/88/568929888.db2.gz CMJKQSJAAGJDQL-QGZVFWFLSA-N 0 0 405.432 1.948 50 5 HDBARN COc1ccc(CCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012760424 568945217 /nfs/dbraw/zinc/94/52/17/568945217.db2.gz LWRUSUGRPQXIDE-APWZRJJASA-N 0 0 419.434 1.548 50 5 HDBARN C[C@@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCC(C)CC1 ZINC000012783048 568958625 /nfs/dbraw/zinc/95/86/25/568958625.db2.gz QVFAWNSXUPRAQF-QWHCGFSZSA-N 0 0 417.418 1.770 50 5 HDBARN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1 ZINC000001508489 569005771 /nfs/dbraw/zinc/00/57/71/569005771.db2.gz UFODUUWFUJLULR-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000012893566 569020141 /nfs/dbraw/zinc/02/01/41/569020141.db2.gz RXASUQCXDJVDDD-CMPLNLGQSA-N 0 0 418.855 1.829 50 5 HDBARN COc1cc(CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000012934894 569026175 /nfs/dbraw/zinc/02/61/75/569026175.db2.gz AHBNOOQTOICYGI-VXGBXAGGSA-N 0 0 403.457 1.098 50 5 HDBARN C[N+]1([O-])CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC000006068248 569027235 /nfs/dbraw/zinc/02/72/35/569027235.db2.gz IPTIKKTXLHVRKN-MRXNPFEDSA-N 0 0 404.814 1.581 50 5 world HDBARN CC(C)OCCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000035593229 569045454 /nfs/dbraw/zinc/04/54/54/569045454.db2.gz VHOAONIOLGNYMJ-UHFFFAOYSA-N 0 0 400.501 1.758 50 5 HDBARN O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12 ZINC000035870451 569063990 /nfs/dbraw/zinc/06/39/90/569063990.db2.gz IZCKFKLJNHKYKP-MJGOQNOKSA-N 0 0 408.462 1.779 50 5 HDBARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)NC3CC3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035965498 569069203 /nfs/dbraw/zinc/06/92/03/569069203.db2.gz ZEFMECKYXXXQIO-GTNSWQLSSA-N 0 0 413.434 1.444 50 5 HDBARN O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000089845773 569267000 /nfs/dbraw/zinc/26/70/00/569267000.db2.gz BOCJIEPMNODRCW-UHFFFAOYSA-N 0 0 419.459 1.897 50 5 HDBARN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000002115114 569283998 /nfs/dbraw/zinc/28/39/98/569283998.db2.gz JDELIMGEDZMALB-ZDUSSCGKSA-N 0 0 400.391 1.909 50 5 HDBARN Cn1c2nc(N3CCCCC3)n(CC(=O)c3cccc([N+](=O)[O-])c3)c2c(=O)[nH]c1=O ZINC000019864576 569357327 /nfs/dbraw/zinc/35/73/27/569357327.db2.gz VBSCCCSFCYONDY-UHFFFAOYSA-N 0 0 412.406 1.205 50 5 HDBARN CCOC(=O)c1c([N-]C(=O)c2c(C)[nH]n3c([N+](=O)[O-])c(C)n[n+]23)sc2c1CCC2 ZINC000012413889 569400865 /nfs/dbraw/zinc/40/08/65/569400865.db2.gz NUYBQJCATJCVEP-UHFFFAOYSA-O 0 0 419.443 1.752 50 5 HDBARN O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000013126141 569409409 /nfs/dbraw/zinc/40/94/09/569409409.db2.gz OUPHXPQDKLSKBI-UHFFFAOYSA-N 0 0 405.363 1.369 50 5 HDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019851012 569431054 /nfs/dbraw/zinc/43/10/54/569431054.db2.gz CZOCOEBOCSNKST-UHFFFAOYSA-N 0 0 405.432 1.830 50 5 HDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccc(Cn2cccn2)cc1 ZINC000008882011 571140190 /nfs/dbraw/zinc/14/01/90/571140190.db2.gz SKWZGVHDIRTABH-UHFFFAOYSA-N 0 0 419.397 1.752 50 5 HDBARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000040072079 571152446 /nfs/dbraw/zinc/15/24/46/571152446.db2.gz XMVOXDALAPGYNB-UHFFFAOYSA-N 0 0 410.496 1.862 50 5 HDBARN COC(=O)CNC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@](=O)Cc1ccccc1 ZINC000008955565 571181546 /nfs/dbraw/zinc/18/15/46/571181546.db2.gz WQLJEPCRHZSYFJ-LJAQVGFWSA-N 0 0 421.387 1.714 50 5 HDBARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000040144998 571194976 /nfs/dbraw/zinc/19/49/76/571194976.db2.gz AEOFNPAAOJUJQJ-HUUCEWRRSA-N 0 0 419.415 1.862 50 5 HDBARN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000009355764 571250957 /nfs/dbraw/zinc/25/09/57/571250957.db2.gz FLEOVDVDYFCFAZ-UHFFFAOYSA-N 0 0 413.496 1.927 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnnn1-c1ccc(F)c(F)c1 ZINC000009571237 571268974 /nfs/dbraw/zinc/26/89/74/571268974.db2.gz IHKORWVBBFQBTC-UHFFFAOYSA-N 0 0 410.362 1.636 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000009907579 571290004 /nfs/dbraw/zinc/29/00/04/571290004.db2.gz KTHVTTSYEGWSIR-UHFFFAOYSA-N 0 0 424.391 1.916 50 5 HDBARN CC(=O)c1ccc(N2CN=c3sc(=Cc4ccc([N+](=O)[O-])cc4)c(=O)n3C2)cc1 ZINC000001790913 132247831 /nfs/dbraw/zinc/24/78/31/132247831.db2.gz JEAGNIOWDZMMEC-ZDLGFXPLSA-N 0 0 408.439 1.904 50 5 HDBARN CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O ZINC000004622439 132280367 /nfs/dbraw/zinc/28/03/67/132280367.db2.gz XKVUAVZNYHLHFR-DNVCBOLYSA-N 0 0 402.407 1.173 50 5 HDBARN Cc1ccc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000012553729 132363285 /nfs/dbraw/zinc/36/32/85/132363285.db2.gz NFSOCDHUJUWHNX-UHFFFAOYSA-N 0 0 404.448 1.664 50 5 HDBARN C[C@@H]1CCCCN1C(=O)CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000032770235 524088020 /nfs/dbraw/zinc/08/80/20/524088020.db2.gz IEXGISBTVCVRNK-MRXNPFEDSA-N 0 0 400.483 1.921 50 5 HDBARN COc1cccc(N2CCN(c3cc(NCCO)c([N+](=O)[O-])c4nonc43)CC2)c1 ZINC000020108045 526156824 /nfs/dbraw/zinc/15/68/24/526156824.db2.gz VRZQLIOALFKEJJ-UHFFFAOYSA-N 0 0 414.422 1.870 50 5 HDBARN O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000020072197 526793768 /nfs/dbraw/zinc/79/37/68/526793768.db2.gz RBPHXNPVMSXPBP-GOSISDBHSA-N 0 0 408.414 1.685 50 5 HDBARN CCOC(=O)N1CCN(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000008706842 535775924 /nfs/dbraw/zinc/77/59/24/535775924.db2.gz VSEWSLBWOKLHEI-UHFFFAOYSA-N 0 0 405.455 1.261 50 5 HDBARN O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000038829013 558816055 /nfs/dbraw/zinc/81/60/55/558816055.db2.gz PMFILNAXSUXVQX-UHFFFAOYSA-N 0 0 403.442 1.428 50 5 HDBARN O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1CCCN1CCOCC1 ZINC000038829213 558816107 /nfs/dbraw/zinc/81/61/07/558816107.db2.gz PNSYYQTUTVRMMV-UHFFFAOYSA-N 0 0 417.469 1.818 50 5 HDBARN COc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000055433810 558881333 /nfs/dbraw/zinc/88/13/33/558881333.db2.gz ZLGOAOXKWYTKIY-UHFFFAOYSA-N 0 0 400.395 1.736 50 5 HDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247319817 558942139 /nfs/dbraw/zinc/94/21/39/558942139.db2.gz LGKILSCEMDIKSY-XMTFNYHQSA-N 0 0 404.382 1.706 50 5 HDBARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023107361 559010655 /nfs/dbraw/zinc/01/06/55/559010655.db2.gz SZIJYKRTJGEVRK-GOSISDBHSA-N 0 0 416.409 1.862 50 5 HDBARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249692339 559276547 /nfs/dbraw/zinc/27/65/47/559276547.db2.gz MIQZZZUSWDELKT-YXAMBPQSSA-N 0 0 415.402 1.805 50 5 HDBARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000012412781 560211856 /nfs/dbraw/zinc/21/18/56/560211856.db2.gz BHFYKFSRXRQPCG-CYBMUJFWSA-N 0 0 422.777 1.951 50 5 biogenic,in-vitro HDBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000005419043 560584817 /nfs/dbraw/zinc/58/48/17/560584817.db2.gz FUVCCDFZDXQJEK-UHFFFAOYSA-N 0 0 407.423 1.810 50 5 HDBARN COc1ccc(CCNC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000005710167 560804997 /nfs/dbraw/zinc/80/49/97/560804997.db2.gz HAXKBZORXCPNHP-UHFFFAOYSA-N 0 0 403.391 1.710 50 5 HDBARN Cc1nn(C)c(C)c1C1=NO[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(O)=C12 ZINC000102725757 560821641 /nfs/dbraw/zinc/82/16/41/560821641.db2.gz XQQZYBNDRKQGGI-UKRRQHHQSA-N 0 0 403.782 1.891 50 5 HDBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(NC(=O)c2cccnc2)CC1 ZINC000048311025 568436766 /nfs/dbraw/zinc/43/67/66/568436766.db2.gz WFJADBDJAXDLGQ-UHFFFAOYSA-N 0 0 404.448 1.881 50 5 HDBARN CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000024751199 568461319 /nfs/dbraw/zinc/46/13/19/568461319.db2.gz COYAOCIJVQCKET-GOSISDBHSA-N 0 0 419.459 1.770 50 5 HDBARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000024772320 568461998 /nfs/dbraw/zinc/46/19/98/568461998.db2.gz UWUIRCYHUHNTQI-TXEJJXNPSA-N 0 0 409.464 1.834 50 5 HDBARN O=c1c2cnn(-c3ccccc3)c2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024832094 568469881 /nfs/dbraw/zinc/46/98/81/568469881.db2.gz DYCPCJOVWPIFGJ-MRXNPFEDSA-N 0 0 407.386 1.930 50 5 HDBARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000024842678 568470748 /nfs/dbraw/zinc/47/07/48/568470748.db2.gz DAOZOJAZDBODNR-UHFFFAOYSA-N 0 0 421.431 1.456 50 5 HDBARN C[C@H](C(=O)O[C@@H](C)C(=O)NC1CCCCC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000024843551 568470773 /nfs/dbraw/zinc/47/07/73/568470773.db2.gz XSFRPCKPPSPRTH-NEPJUHHUSA-N 0 0 417.418 1.960 50 5 HDBARN Cc1nc(NCCSCCCO)nc(NCCSCCCO)c1[N+](=O)[O-] ZINC000095446236 568611862 /nfs/dbraw/zinc/61/18/62/568611862.db2.gz LTIVJROLTLLBCE-UHFFFAOYSA-N 0 0 405.546 1.748 50 5 HDBARN CN1CCN(C(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)c3ccccc3c2=O)CC1 ZINC000020502437 568618324 /nfs/dbraw/zinc/61/83/24/568618324.db2.gz ROHZGOWWHJTBGE-UHFFFAOYSA-N 0 0 407.430 1.746 50 5 HDBARN CCn1nc(C(N)=O)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000096279204 568717237 /nfs/dbraw/zinc/71/72/37/568717237.db2.gz JNVQBHVCNXVCSW-UHFFFAOYSA-N 0 0 411.440 1.698 50 5 HDBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1)N1CCOCC1 ZINC000055444216 568775542 /nfs/dbraw/zinc/77/55/42/568775542.db2.gz HSKYPZFIXJJAQN-UHFFFAOYSA-N 0 0 403.483 1.176 50 5 HDBARN COC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000002626506 568789445 /nfs/dbraw/zinc/78/94/45/568789445.db2.gz CYZFOJYKSGWCPE-UHFFFAOYSA-N 0 0 408.388 1.574 50 5 HDBARN CNC(=O)c1nn(C)cc1NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809734 568811019 /nfs/dbraw/zinc/81/10/19/568811019.db2.gz BRZNGHCABMZOHE-UHFFFAOYSA-N 0 0 417.813 1.838 50 5 HDBARN COC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000002858514 568813354 /nfs/dbraw/zinc/81/33/54/568813354.db2.gz GCMSOJFDUBBPII-UHFFFAOYSA-N 0 0 407.404 1.786 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1N ZINC000003272189 568870554 /nfs/dbraw/zinc/87/05/54/568870554.db2.gz HNOTVRVGHVLOJQ-UHFFFAOYSA-N 0 0 401.408 1.702 50 5 HDBARN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2N2CCCC2=O)c1=O ZINC000058063628 568881823 /nfs/dbraw/zinc/88/18/23/568881823.db2.gz RHBDEPUXXYQQIK-UHFFFAOYSA-N 0 0 414.374 1.309 50 5 HDBARN CCc1cc(N2CCC[C@H](CNS(N)(=O)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058283021 568908473 /nfs/dbraw/zinc/90/84/73/568908473.db2.gz OXPWPZBVTGGFSR-CYBMUJFWSA-N 0 0 420.495 1.624 50 5 HDBARN O=C(c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000003613759 568919811 /nfs/dbraw/zinc/91/98/11/568919811.db2.gz MVZIXTOMQNADNV-UHFFFAOYSA-N 0 0 406.310 1.003 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C[C@H]2CCCO2)c1=N ZINC000100627350 569009793 /nfs/dbraw/zinc/00/97/93/569009793.db2.gz YLLZLRCJHPYOES-CQSZACIVSA-N 0 0 411.462 1.074 50 5 HDBARN Cc1cccn2c(=O)cc(CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)nc12 ZINC000012943295 569028809 /nfs/dbraw/zinc/02/88/09/569028809.db2.gz QOJXXOJYPNQZMK-FQEVSTJZSA-N 0 0 407.386 1.878 50 5 HDBARN COc1ccc(Cn2c3ccccc3nc2S(=O)(=O)CC(N)=O)cc1[N+](=O)[O-] ZINC000006244614 569034504 /nfs/dbraw/zinc/03/45/04/569034504.db2.gz YQXCZXLDHAHDSL-UHFFFAOYSA-N 0 0 404.404 1.260 50 5 HDBARN CCN1C2=C(C(=O)N(CC(=O)N3CCCC3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945366 569067015 /nfs/dbraw/zinc/06/70/15/569067015.db2.gz MNIZEUTZVMWCGJ-SFHVURJKSA-N 0 0 413.434 1.400 50 5 HDBARN COc1ccc(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000036227503 569114064 /nfs/dbraw/zinc/11/40/64/569114064.db2.gz SGAODZBZUNASQM-UHFFFAOYSA-N 0 0 419.459 1.793 50 5 HDBARN C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])Cn1cccn1 ZINC000036393992 569168392 /nfs/dbraw/zinc/16/83/92/569168392.db2.gz JCSMDNRJBNOFEW-AWEZNQCLSA-N 0 0 409.468 1.560 50 5 HDBARN CC1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007159927 569226058 /nfs/dbraw/zinc/22/60/58/569226058.db2.gz QWDZKXFMIFPOIW-ITMHDFIRSA-N 0 0 411.480 1.414 50 5 HDBARN O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000002214421 569299469 /nfs/dbraw/zinc/29/94/69/569299469.db2.gz PPIIOAZUVXKWCK-MRXNPFEDSA-N 0 0 400.366 1.703 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CNC(=O)c1cccc(F)c1 ZINC000007778466 569308957 /nfs/dbraw/zinc/30/89/57/569308957.db2.gz USSWXGKYHOTJTH-UHFFFAOYSA-N 0 0 405.338 1.654 50 5 HDBARN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000008935198 569391077 /nfs/dbraw/zinc/39/10/77/569391077.db2.gz KDAPCSXKFGXASU-UHFFFAOYSA-N 0 0 421.325 1.024 50 5 HDBARN O=C(NCCc1cccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000012994291 569406124 /nfs/dbraw/zinc/40/61/24/569406124.db2.gz WQWWRVITZGFAGF-UHFFFAOYSA-N 0 0 424.504 1.915 50 5 HDBARN CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000013005508 569406263 /nfs/dbraw/zinc/40/62/63/569406263.db2.gz OLTPGELEQQAFIY-UHFFFAOYSA-N 0 0 405.498 1.304 50 5 HDBARN O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013146300 569409848 /nfs/dbraw/zinc/40/98/48/569409848.db2.gz JFTBCEAHVDNVEU-STQMWFEESA-N 0 0 421.381 1.781 50 5 HDBARN CCOC(=O)c1ccnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000079063548 569426389 /nfs/dbraw/zinc/42/63/89/569426389.db2.gz HJWISYJLWDBOIN-UHFFFAOYSA-N 0 0 400.391 1.835 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000079108127 569427822 /nfs/dbraw/zinc/42/78/22/569427822.db2.gz IVHWTRSLTOORCJ-ZIAGYGMSSA-N 0 0 401.485 1.771 50 5 HDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040114882 571172488 /nfs/dbraw/zinc/17/24/88/571172488.db2.gz WOVIPYPBDPCDHD-CHWSQXEVSA-N 0 0 407.370 1.204 50 5 HDBARN Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc([N+](=O)[O-])o3)c2=O)cc1 ZINC000009016367 571211676 /nfs/dbraw/zinc/21/16/76/571211676.db2.gz ZNRXFJFOSUUEMY-UHFFFAOYSA-N 0 0 422.401 1.881 50 5 HDBARN Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c([N+](=O)[O-])n1 ZINC000009466573 571261033 /nfs/dbraw/zinc/26/10/33/571261033.db2.gz KWBWRQOMKYSRJY-UHFFFAOYSA-N 0 0 408.436 1.874 50 5 HDBARN CCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009507798 571263799 /nfs/dbraw/zinc/26/37/99/571263799.db2.gz PSNOFNIWHYBEJR-UHFFFAOYSA-N 0 0 419.438 1.893 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nnc2ccccn21 ZINC000009509654 571264047 /nfs/dbraw/zinc/26/40/47/571264047.db2.gz XDSTXXJMVVCHQS-UHFFFAOYSA-N 0 0 421.460 1.810 50 5 HDBARN Cc1cc(NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)no1 ZINC000009780809 571285143 /nfs/dbraw/zinc/28/51/43/571285143.db2.gz ZCSPXJYQJVAZQK-UHFFFAOYSA-N 0 0 402.319 1.059 50 5 HDBARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012554199 132363404 /nfs/dbraw/zinc/36/34/04/132363404.db2.gz KDYRSVCBEWCZCM-UHFFFAOYSA-N 0 0 409.450 1.931 50 5 HDBARN NS(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 ZINC000012629602 132365283 /nfs/dbraw/zinc/36/52/83/132365283.db2.gz BMGQPTPCZGNAMQ-UHFFFAOYSA-N 0 0 416.463 1.212 50 5 HDBARN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000027262482 132490962 /nfs/dbraw/zinc/49/09/62/132490962.db2.gz UVYZIOIBYVLRBG-UHFFFAOYSA-N 0 0 410.434 1.779 50 5 HDBARN CNc1ccc(C(=O)NCCCN(Cc2cccnc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000032927984 522587700 /nfs/dbraw/zinc/58/77/00/522587700.db2.gz OHHIFEZUAINDPB-UHFFFAOYSA-N 0 0 421.479 1.613 50 5 HDBARN CNS(=O)(=O)c1ccc(N2CCN(c3cccc(OC)c3)CC2)c([N+](=O)[O-])c1 ZINC000008050373 536317514 /nfs/dbraw/zinc/31/75/14/536317514.db2.gz WZRFQRCTSDWERI-UHFFFAOYSA-N 0 0 406.464 1.838 50 5 HDBARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000097569666 557824502 /nfs/dbraw/zinc/82/45/02/557824502.db2.gz BPJNULDJASFUES-HUUCEWRRSA-N 0 0 402.359 1.456 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000034783174 558783949 /nfs/dbraw/zinc/78/39/49/558783949.db2.gz RSRHPJYSALPETK-UHFFFAOYSA-N 0 0 404.448 1.540 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000013523207 558835893 /nfs/dbraw/zinc/83/58/93/558835893.db2.gz QIYZSRZPNFOSRE-UHFFFAOYSA-N 0 0 409.420 1.841 50 5 HDBARN CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000023022601 558865020 /nfs/dbraw/zinc/86/50/20/558865020.db2.gz VJDAVDVQCSTQCL-OAHLLOKOSA-N 0 0 424.479 1.900 50 5 HDBARN C[C@@H]1SC(NC(=O)CCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)=NC1=O ZINC000013839412 558885996 /nfs/dbraw/zinc/88/59/96/558885996.db2.gz BGFMWHSJOBLZGY-VIFPVBQESA-N 0 0 404.404 1.495 50 5 HDBARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023107364 559010642 /nfs/dbraw/zinc/01/06/42/559010642.db2.gz SZIJYKRTJGEVRK-SFHVURJKSA-N 0 0 416.409 1.862 50 5 HDBARN O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004763956 559053276 /nfs/dbraw/zinc/05/32/76/559053276.db2.gz AUQYFKQQFYHISF-UHFFFAOYSA-N 0 0 415.431 1.008 50 5 HDBARN CCOCCCn1c(=N)c(C(=O)NCCCOC)cc2c1nc1ccccn1c2=O ZINC000100628060 559245571 /nfs/dbraw/zinc/24/55/71/559245571.db2.gz KNEFEIBLZQNSNU-UHFFFAOYSA-N 0 0 413.478 1.322 50 5 HDBARN C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12)N1Cc2ccccc2C1=O ZINC000409413317 559250555 /nfs/dbraw/zinc/25/05/55/559250555.db2.gz KNMYYZSWXGJTFS-OFQRWUPVSA-N 0 0 422.441 1.747 50 5 biogenic HDBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccccc3)c(=N)n1CCO)c2=O ZINC000100813647 559269182 /nfs/dbraw/zinc/26/91/82/559269182.db2.gz KYIWLKQDJQKXIC-UHFFFAOYSA-N 0 0 410.455 1.262 50 5 HDBARN Cc1cccn2c1nc1c(cc(C(=O)N[C@@H](C)c3ccccc3)c(=N)n1CCO)c2=O ZINC000100894354 560762119 /nfs/dbraw/zinc/76/21/19/560762119.db2.gz SFNYSRAUUDWHJR-HNNXBMFYSA-N 0 0 417.469 1.920 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000102280450 560809613 /nfs/dbraw/zinc/80/96/13/560809613.db2.gz GPYPOZKSQLSDIM-TXEJJXNPSA-N 0 0 423.809 1.905 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105504631 560873703 /nfs/dbraw/zinc/87/37/03/560873703.db2.gz FFSQKNAKTIJTOA-HCXYKTFWSA-N 0 0 422.390 1.109 50 5 HDBARN NC(=O)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000095415866 568606911 /nfs/dbraw/zinc/60/69/11/568606911.db2.gz GQNNQOALMAICRB-UONOGXRCSA-N 0 0 412.468 1.072 50 5 HDBARN COC(=O)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000096005897 568682575 /nfs/dbraw/zinc/68/25/75/568682575.db2.gz PHYMHEKYONYWPV-UHFFFAOYSA-N 0 0 415.240 1.986 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000022413232 568767588 /nfs/dbraw/zinc/76/75/88/568767588.db2.gz CINRMPVCTHXAJZ-UHFFFAOYSA-N 0 0 423.447 1.702 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000001102341 568771383 /nfs/dbraw/zinc/77/13/83/568771383.db2.gz AFELQHMTZXVKMI-UHFFFAOYSA-N 0 0 412.445 1.449 50 5 HDBARN O=C(Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC000002731647 568804362 /nfs/dbraw/zinc/80/43/62/568804362.db2.gz RHEZSWCWNXHEPA-OAHLLOKOSA-N 0 0 416.419 1.268 50 5 HDBARN COc1nn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1[N+](=O)[O-] ZINC000002809505 568811950 /nfs/dbraw/zinc/81/19/50/568811950.db2.gz GEQYOXDUUMLZEY-UHFFFAOYSA-N 0 0 405.378 1.819 50 5 HDBARN Cc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000002847205 568812933 /nfs/dbraw/zinc/81/29/33/568812933.db2.gz IIGWEQQMWNRRRQ-ZDUSSCGKSA-N 0 0 413.477 1.549 50 5 HDBARN COc1ccc(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)cc1 ZINC000003624454 568864675 /nfs/dbraw/zinc/86/46/75/568864675.db2.gz IAKCRAUBARKABZ-UHFFFAOYSA-N 0 0 404.412 1.103 50 5 HDBARN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000003395931 568895212 /nfs/dbraw/zinc/89/52/12/568895212.db2.gz PWMIAPZUKGJMMM-UHFFFAOYSA-N 0 0 419.341 1.710 50 5 HDBARN O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000058208887 568899634 /nfs/dbraw/zinc/89/96/34/568899634.db2.gz PBJCPHNMRIXAPK-UHFFFAOYSA-N 0 0 418.475 1.799 50 5 HDBARN COc1ncccc1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000031484981 568926707 /nfs/dbraw/zinc/92/67/07/568926707.db2.gz OJGMGFMLHSYHRW-UHFFFAOYSA-N 0 0 402.319 1.125 50 5 HDBARN C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157455 568946992 /nfs/dbraw/zinc/94/69/92/568946992.db2.gz GKWWSMLMOAPXHH-OBWXAGNPSA-N 0 0 400.387 1.740 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1nnc2n1CCC2 ZINC000084350880 568947098 /nfs/dbraw/zinc/94/70/98/568947098.db2.gz FEUGLJHIBZXOMI-UHFFFAOYSA-N 0 0 420.495 1.962 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)c1=O ZINC000012768507 568949899 /nfs/dbraw/zinc/94/98/99/568949899.db2.gz BRBPCHHNODWEMC-QGZVFWFLSA-N 0 0 409.398 1.962 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000015629646 568957089 /nfs/dbraw/zinc/95/70/89/568957089.db2.gz CQYBBVBKXZNAPN-UHFFFAOYSA-N 0 0 422.463 1.734 50 5 HDBARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000008146326 568977285 /nfs/dbraw/zinc/97/72/85/568977285.db2.gz PDFSYOKESAKULW-UHFFFAOYSA-N 0 0 406.464 1.995 50 5 HDBARN CCCCn1c(N)c(N(CC)C(=O)CSc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC000012935943 569026779 /nfs/dbraw/zinc/02/67/79/569026779.db2.gz ZZFBXOWSPHGFPC-UHFFFAOYSA-N 0 0 421.479 1.972 50 5 HDBARN CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000006507372 569061771 /nfs/dbraw/zinc/06/17/71/569061771.db2.gz YWEKHXIIDRAETB-UHFFFAOYSA-N 0 0 403.439 1.986 50 5 HDBARN CCN1C2=C(C(=O)N(CC(=O)NCC(C)C)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945365 569067046 /nfs/dbraw/zinc/06/70/46/569067046.db2.gz RWHOBEUVBPHEOV-GOSISDBHSA-N 0 0 415.450 1.550 50 5 HDBARN O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006597616 569069311 /nfs/dbraw/zinc/06/93/11/569069311.db2.gz RJAOONCIKVTNNM-GJZGRUSLSA-N 0 0 401.375 1.418 50 5 HDBARN COCCCNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000002057942 569072473 /nfs/dbraw/zinc/07/24/73/569072473.db2.gz HTOYYBFKPCUWJL-GOSISDBHSA-N 0 0 411.414 1.955 50 5 HDBARN CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NC(C)C)[C@@H]2C1 ZINC000169677206 569125232 /nfs/dbraw/zinc/12/52/32/569125232.db2.gz XNXIIORTNVDXJI-MJGOQNOKSA-N 0 0 417.510 1.307 50 5 HDBARN Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)c(=N)n3C(C)C)c(=O)n2c1 ZINC000006860225 569157419 /nfs/dbraw/zinc/15/74/19/569157419.db2.gz WDRJRJZEBNTSSX-UHFFFAOYSA-N 0 0 424.505 1.080 50 5 HDBARN COc1nn(C)cc1C(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000036709504 569224266 /nfs/dbraw/zinc/22/42/66/569224266.db2.gz WDLKVHPNYZEWDB-UHFFFAOYSA-N 0 0 402.436 1.909 50 5 HDBARN O=[N+]([O-])c1ccc(N[C@H](CO)Cc2ccccn2)c(S(=O)(=O)N2CCCC2)c1 ZINC000170610820 569245479 /nfs/dbraw/zinc/24/54/79/569245479.db2.gz UNEIFYMYVZWGCB-HNNXBMFYSA-N 0 0 406.464 1.790 50 5 HDBARN Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)co1 ZINC000010220371 569253364 /nfs/dbraw/zinc/25/33/64/569253364.db2.gz XFCWXOGYPJNQHH-UHFFFAOYSA-N 0 0 417.403 1.986 50 5 HDBARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000010216330 569253470 /nfs/dbraw/zinc/25/34/70/569253470.db2.gz BZDLEIPULZJMBI-UHFFFAOYSA-N 0 0 415.431 1.580 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089773145 569263679 /nfs/dbraw/zinc/26/36/79/569263679.db2.gz CLBDWYSTWYEHGR-RYUDHWBXSA-N 0 0 423.809 1.905 50 5 HDBARN COc1ccc(CCNC(=O)c2nc(Cn3nc([N+](=O)[O-])cc3C)no2)cc1OC ZINC000017090539 569273570 /nfs/dbraw/zinc/27/35/70/569273570.db2.gz REDICILBVHURLI-UHFFFAOYSA-N 0 0 416.394 1.521 50 5 HDBARN CCCCNC(=O)CN1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000039975985 571135617 /nfs/dbraw/zinc/13/56/17/571135617.db2.gz ALANHLSRPIOFAC-UHFFFAOYSA-N 0 0 403.483 1.843 50 5 HDBARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000040083173 571156521 /nfs/dbraw/zinc/15/65/21/571156521.db2.gz LNHPPPIZQVJVJD-UHFFFAOYSA-N 0 0 416.463 1.696 50 5 HDBARN COC(=O)c1cc([N+](=O)[O-])ccc1NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000040091241 571161187 /nfs/dbraw/zinc/16/11/87/571161187.db2.gz PGUSTEXBWJHKCG-RYUDHWBXSA-N 0 0 401.441 1.232 50 5 HDBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)NCc1ccco1 ZINC000009130791 571227810 /nfs/dbraw/zinc/22/78/10/571227810.db2.gz DBXJWCSEOGWQOF-UHFFFAOYSA-N 0 0 416.390 1.971 50 5 HDBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009205193 571236585 /nfs/dbraw/zinc/23/65/85/571236585.db2.gz JXASEMFCPMBBPW-UHFFFAOYSA-N 0 0 406.420 1.792 50 5 HDBARN O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CN(c1ccc([N+](=O)[O-])cc1)CN=2 ZINC000005093176 132300486 /nfs/dbraw/zinc/30/04/86/132300486.db2.gz GSWUCKUQLJVQQI-NXVVXOECSA-N 0 0 407.411 1.024 50 5 HDBARN CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cc(OC)ccc3OC)n2)CC1 ZINC000009363531 132339041 /nfs/dbraw/zinc/33/90/41/132339041.db2.gz IKVCXQKCYXDTQM-UHFFFAOYSA-N 0 0 403.443 1.870 50 5 HDBARN Cn1cnc([N+](=O)[O-])c1N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009467579 132340132 /nfs/dbraw/zinc/34/01/32/132340132.db2.gz QCAZIERSGLXMSC-UHFFFAOYSA-N 0 0 415.841 1.854 50 5 HDBARN O=C(c1ccco1)N1CCN(c2cc(NCCCO)c([N+](=O)[O-])c3nonc32)CC1 ZINC000011024252 132347245 /nfs/dbraw/zinc/34/72/45/132347245.db2.gz WEJJNJOMJILAHK-UHFFFAOYSA-N 0 0 416.394 1.481 50 5 HDBARN Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000012632274 132365486 /nfs/dbraw/zinc/36/54/86/132365486.db2.gz MMXZBFFAOISXCY-UHFFFAOYSA-N 0 0 407.434 1.906 50 5 HDBARN Cn1cnnc1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000031653433 132498639 /nfs/dbraw/zinc/49/86/39/132498639.db2.gz DNYOJJQJZGZAEG-AWEZNQCLSA-N 0 0 420.495 1.892 50 5 HDBARN CNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 ZINC000048346174 521884832 /nfs/dbraw/zinc/88/48/32/521884832.db2.gz BBMDVSQWKFPROD-CQSZACIVSA-N 0 0 414.393 1.763 50 5 HDBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1nc(N2CCOCC2)ncc1Cl ZINC000042128095 526339394 /nfs/dbraw/zinc/33/93/94/526339394.db2.gz DTDVSCXVUABNNP-UHFFFAOYSA-N 0 0 406.830 1.717 50 5 HDBARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000043727027 526985694 /nfs/dbraw/zinc/98/56/94/526985694.db2.gz OEFLGVMKOKDVDW-MHORFTMASA-N 0 0 404.382 1.596 50 5 HDBARN CN(C(=O)COc1cc(O)c2c(c1)oc1ccccc1c2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013722134 558582534 /nfs/dbraw/zinc/58/25/34/558582534.db2.gz HOWHBZUQIGVMTE-GFCCVEGCSA-N 0 0 417.439 1.676 50 5 HDBARN Cc1cc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000013878774 558889730 /nfs/dbraw/zinc/88/97/30/558889730.db2.gz MJMHPJCQOQCBQO-UHFFFAOYSA-N 0 0 421.431 1.985 50 5 HDBARN Cc1cccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1 ZINC000033238647 558914382 /nfs/dbraw/zinc/91/43/82/558914382.db2.gz PYBACDUMYKZQGE-UHFFFAOYSA-N 0 0 408.414 1.848 50 5 HDBARN COC(=O)[C@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004721895 558925391 /nfs/dbraw/zinc/92/53/91/558925391.db2.gz ZNPVDXMXQFEVPJ-KRWDZBQOSA-N 0 0 415.402 1.450 50 5 HDBARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000004730843 559023061 /nfs/dbraw/zinc/02/30/61/559023061.db2.gz MWYPPSVUWONQEL-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)ccc1Br ZINC000095443873 559078466 /nfs/dbraw/zinc/07/84/66/559078466.db2.gz LHMFCJUKRGLXLY-CYBMUJFWSA-N 0 0 409.258 1.425 50 5 HDBARN CCOC(=O)C(C(=O)OCC)[C@H](O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100076870 559124241 /nfs/dbraw/zinc/12/42/41/559124241.db2.gz VGQUAYHYNMIPAJ-GFCCVEGCSA-N 0 0 401.284 1.187 50 5 HDBARN Cc1ccc(S(=O)(=O)c2cc3c(nc4ccccn4c3=O)n(CCO)c2=N)cc1 ZINC000100863328 559141392 /nfs/dbraw/zinc/14/13/92/559141392.db2.gz LDJUBLLIIBCLSP-UHFFFAOYSA-N 0 0 410.455 1.262 50 5 HDBARN CCOC(=O)c1cnc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc1N ZINC000100118979 559154592 /nfs/dbraw/zinc/15/45/92/559154592.db2.gz UQVOHZOBTQFHCK-LBPRGKRZSA-N 0 0 417.403 1.568 50 5 HDBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(N)=O)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000248072321 559261829 /nfs/dbraw/zinc/26/18/29/559261829.db2.gz AEDRUXHQYQPUDY-ZSYWTGECSA-N 0 0 418.409 1.904 50 5 HDBARN COc1ccc([C@H](O)C(=NNC(N)N)c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1 ZINC000005399293 560579340 /nfs/dbraw/zinc/57/93/40/560579340.db2.gz PDLMBQBQNCUTNU-ZBFHGGJFSA-N 0 0 413.394 1.015 50 5 HDBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000018181017 560781746 /nfs/dbraw/zinc/78/17/46/560781746.db2.gz KFENMZBIMUWUHH-HOTGVXAUSA-N 0 0 402.451 1.389 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(N)=O)[C@H]2C1=O ZINC000106535916 560892253 /nfs/dbraw/zinc/89/22/53/560892253.db2.gz KEKUGUJXCCMEHX-WNHJNPCNSA-N 0 0 418.409 1.778 50 5 HDBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000672414 568460962 /nfs/dbraw/zinc/46/09/62/568460962.db2.gz YYGUCAXDLSWSJF-UHFFFAOYSA-N 0 0 421.431 1.633 50 5 HDBARN CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019933297 568585664 /nfs/dbraw/zinc/58/56/64/568585664.db2.gz VGFSOSARHVRUIF-QGZVFWFLSA-N 0 0 404.423 1.440 50 5 HDBARN CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019933300 568585669 /nfs/dbraw/zinc/58/56/69/568585669.db2.gz VGFSOSARHVRUIF-KRWDZBQOSA-N 0 0 404.423 1.440 50 5 HDBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnc2n1CCC2 ZINC000095348784 568600156 /nfs/dbraw/zinc/60/01/56/568600156.db2.gz UQBJMYKPANSOHU-LBPRGKRZSA-N 0 0 422.467 1.327 50 5 HDBARN CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000095462288 568621243 /nfs/dbraw/zinc/62/12/43/568621243.db2.gz GEJWJAFLTBDYAG-LBPRGKRZSA-N 0 0 404.876 1.831 50 5 HDBARN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000095993323 568678118 /nfs/dbraw/zinc/67/81/18/568678118.db2.gz IXCJXXULVUITFR-AAEUAGOBSA-N 0 0 400.453 1.784 50 5 HDBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1NC(C)=C[C@]1(O)C(F)(F)F ZINC000001012155 568762947 /nfs/dbraw/zinc/76/29/47/568762947.db2.gz OMPDVCAPPCFTTH-JTQLQIEISA-N 0 0 414.138 1.721 50 5 HDBARN COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000002618172 568786298 /nfs/dbraw/zinc/78/62/98/568786298.db2.gz XWFJULYZHTXFAL-UHFFFAOYSA-N 0 0 405.338 1.654 50 5 HDBARN CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 ZINC000002762619 568807111 /nfs/dbraw/zinc/80/71/11/568807111.db2.gz VCVOBUNPUCUGSF-UHFFFAOYSA-N 0 0 419.419 1.983 50 5 HDBARN COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)cc1 ZINC000002871888 568813734 /nfs/dbraw/zinc/81/37/34/568813734.db2.gz FYKIUBPXGXZZRY-UHFFFAOYSA-N 0 0 411.370 1.993 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000002876255 568813985 /nfs/dbraw/zinc/81/39/85/568813985.db2.gz RGZCBOQCCLKEHC-UHFFFAOYSA-N 0 0 423.403 1.737 50 5 HDBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2n[nH]c(C(=O)NCc3ccco3)c2C1 ZINC000034830643 568828794 /nfs/dbraw/zinc/82/87/94/568828794.db2.gz COMNBCWGFBTCEP-UHFFFAOYSA-N 0 0 409.402 1.968 50 5 HDBARN O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000012555626 568855438 /nfs/dbraw/zinc/85/54/38/568855438.db2.gz JSZDDERTTVZUOY-UHFFFAOYSA-N 0 0 405.436 1.206 50 5 HDBARN O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccs1 ZINC000003363423 568888484 /nfs/dbraw/zinc/88/84/84/568888484.db2.gz AMQOITBLMBLCPT-UHFFFAOYSA-N 0 0 411.823 1.899 50 5 HDBARN COc1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000003363688 568888716 /nfs/dbraw/zinc/88/87/16/568888716.db2.gz BTHAHQJTTOQVGO-UHFFFAOYSA-N 0 0 418.358 1.814 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000058158589 568892619 /nfs/dbraw/zinc/89/26/19/568892619.db2.gz FYHCRWCOMCYJLT-UHFFFAOYSA-N 0 0 411.402 1.870 50 5 HDBARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000003613372 568919732 /nfs/dbraw/zinc/91/97/32/568919732.db2.gz XICKPCAUNTWMEO-UHFFFAOYSA-N 0 0 411.461 1.812 50 5 HDBARN Cn1c2c(c(N)c([N+](=O)[O-])c1=O)c(=O)n(-c1ccccc1)c(=O)n2-c1ccccc1 ZINC000003958031 568930045 /nfs/dbraw/zinc/93/00/45/568930045.db2.gz FLUFQNIBXHCUAG-UHFFFAOYSA-N 0 0 405.370 1.331 50 5 HDBARN O=C(CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000008405431 569001348 /nfs/dbraw/zinc/00/13/48/569001348.db2.gz IAGPNQODJNDOLX-UHFFFAOYSA-N 0 0 411.370 1.721 50 5 HDBARN NC(=O)CSc1nc2c(sc3nc4ccccc4n32)c(SCC(N)=O)n1 ZINC000008426400 569002121 /nfs/dbraw/zinc/00/21/21/569002121.db2.gz BUPUHWDRJKUJMB-UHFFFAOYSA-N 0 0 404.502 1.647 50 5 HDBARN O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000012926596 569023793 /nfs/dbraw/zinc/02/37/93/569023793.db2.gz YXJLUWGUCZOWAW-UHFFFAOYSA-N 0 0 419.777 1.478 50 5 HDBARN C[N+]1([O-])CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC000006068249 569027248 /nfs/dbraw/zinc/02/72/48/569027248.db2.gz IPTIKKTXLHVRKN-INIZCTEOSA-N 0 0 404.814 1.581 50 5 world HDBARN CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016837619 569263874 /nfs/dbraw/zinc/26/38/74/569263874.db2.gz KXAUTIMZQLDJPC-UHFFFAOYSA-N 0 0 404.408 1.448 50 5 HDBARN O=C1CN(CCO)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000002150439 569289986 /nfs/dbraw/zinc/28/99/86/569289986.db2.gz RHYKTIDFCSCRPA-RXVVDRJESA-N 0 0 420.425 1.753 50 5 biogenic HDBARN O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000002214434 569299461 /nfs/dbraw/zinc/29/94/61/569299461.db2.gz PPIIOAZUVXKWCK-INIZCTEOSA-N 0 0 400.366 1.703 50 5 HDBARN CN(CCO)c1cc(N2CCN(C(=O)c3ccco3)CC2)c2nonc2c1[N+](=O)[O-] ZINC000008830477 569390469 /nfs/dbraw/zinc/39/04/69/569390469.db2.gz QFZNNKQLVVYZDY-UHFFFAOYSA-N 0 0 416.394 1.115 50 5 HDBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCn1nnc2ccccc2c1=O ZINC000013148856 569409963 /nfs/dbraw/zinc/40/99/63/569409963.db2.gz DDKPIFGGBBNQMM-UHFFFAOYSA-N 0 0 417.765 1.284 50 5 HDBARN CC(C)CN(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000008825928 571122200 /nfs/dbraw/zinc/12/22/00/571122200.db2.gz BPHHCZHIQMMFFG-ZDUSSCGKSA-N 0 0 413.452 1.006 50 5 HDBARN CN(C)C(=O)CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000039969497 571135187 /nfs/dbraw/zinc/13/51/87/571135187.db2.gz SBMIQVOYRBQPOS-UHFFFAOYSA-N 0 0 403.483 1.044 50 5 HDBARN Cn1c2c(nc(Br)n2CCOc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000040127555 571179284 /nfs/dbraw/zinc/17/92/84/571179284.db2.gz XXRMYJSNVXREJS-UHFFFAOYSA-N 0 0 424.211 1.183 50 5 HDBARN CS(=O)(=O)NCCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000040158330 571204935 /nfs/dbraw/zinc/20/49/35/571204935.db2.gz AEJVIIXAYYFMHU-UHFFFAOYSA-N 0 0 410.418 1.675 50 5 HDBARN O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@H]32)C(=O)N1 ZINC000009015561 571211514 /nfs/dbraw/zinc/21/15/14/571211514.db2.gz IPYSYVUCZZMGFX-PBHICJAKSA-N 0 0 406.398 1.866 50 5 HDBARN Cn1c2cc(/C=c3\sc4nc5ccccc5n4c3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000009187289 571235222 /nfs/dbraw/zinc/23/52/22/571235222.db2.gz YYIBFJHOPJYBRH-PXNMLYILSA-N 0 0 407.411 1.556 50 5 HDBARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000009425430 571257715 /nfs/dbraw/zinc/25/77/15/571257715.db2.gz ADWHOQXCOBLWGX-UHFFFAOYSA-N 0 0 413.795 1.691 50 5 HDBARN CN1c2ccccc2/C(=c2/sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)C1=O ZINC000002816098 132258178 /nfs/dbraw/zinc/25/81/78/132258178.db2.gz HCQZQEPFNUSOTM-MSUUIHNZSA-N 0 0 421.438 1.048 50 5 HDBARN COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004054077 132270449 /nfs/dbraw/zinc/27/04/49/132270449.db2.gz XMRZQULVLRGVHY-UHFFFAOYSA-N 0 0 405.432 1.892 50 5 HDBARN O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004660257 132281063 /nfs/dbraw/zinc/28/10/63/132281063.db2.gz XRFZCJJKAPOUNL-UHFFFAOYSA-N 0 0 408.414 1.930 50 5 HDBARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000004881517 132291546 /nfs/dbraw/zinc/29/15/46/132291546.db2.gz SJLVBPDITPEAGD-UHFFFAOYSA-N 0 0 418.475 1.710 50 5 HDBARN C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@H](C)O1 ZINC000005377704 132305392 /nfs/dbraw/zinc/30/53/92/132305392.db2.gz VIXMBQCARUTQKT-ZETOZRRWSA-N 0 0 402.407 1.170 50 5 HDBARN CCOc1cc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)c([N+](=O)[O-])cc1OC ZINC000032928660 520658263 /nfs/dbraw/zinc/65/82/63/520658263.db2.gz YBCUSSCAOVUULQ-UHFFFAOYSA-N 0 0 415.468 1.546 50 5 HDBARN O=C(c1ccc(N2CCN(C(=O)C3CCCC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000032829601 526700099 /nfs/dbraw/zinc/70/00/99/526700099.db2.gz SRXFJLYHECEWQR-UHFFFAOYSA-N 0 0 416.478 1.906 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022659673 557700935 /nfs/dbraw/zinc/70/09/35/557700935.db2.gz HPBSNJZXSYYOFX-UHFFFAOYSA-N 0 0 419.459 1.475 50 5 HDBARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000004323154 557851188 /nfs/dbraw/zinc/85/11/88/557851188.db2.gz PSAJYSIYXOSCQZ-UHFFFAOYSA-N 0 0 418.475 1.477 50 5 HDBARN O=c1c2cc3c(ccn(Cc4cccnc4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000036354339 558799262 /nfs/dbraw/zinc/79/92/62/558799262.db2.gz JQTVRKSOAFLTCS-UHFFFAOYSA-N 0 0 417.469 1.487 50 5 HDBARN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096445816 558948970 /nfs/dbraw/zinc/94/89/70/558948970.db2.gz NAERQYNXVOZYOS-HNJRGHQBSA-N 0 0 410.474 1.520 50 5 HDBARN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000023264297 559074268 /nfs/dbraw/zinc/07/42/68/559074268.db2.gz MDAQUECEDGDKHK-SNVBAGLBSA-N 0 0 415.358 1.649 50 5 HDBARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000100249753 560052862 /nfs/dbraw/zinc/05/28/62/560052862.db2.gz BHFYKFSRXRQPCG-ZDUSSCGKSA-N 0 0 422.777 1.951 50 5 biogenic,in-vitro HDBARN CCn1c2ccc([N+](=O)[O-])cc2sc1=NC(=O)CSCC(=O)N1CCOCC1 ZINC000100825532 560759283 /nfs/dbraw/zinc/75/92/83/560759283.db2.gz MTIGPDGDDOVBRQ-ZCXUNETKSA-N 0 0 424.504 1.650 50 5 HDBARN COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccncc2)c1=N ZINC000100851416 560760074 /nfs/dbraw/zinc/76/00/74/560760074.db2.gz ZVMCDLDXPJVTLE-UHFFFAOYSA-N 0 0 418.457 1.257 50 5 HDBARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000018059949 560774198 /nfs/dbraw/zinc/77/41/98/560774198.db2.gz CORYAJKXWKMCCN-UHFFFAOYSA-N 0 0 408.436 1.518 50 5 HDBARN CC(C)NC(=O)NC(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005693716 560786065 /nfs/dbraw/zinc/78/60/65/560786065.db2.gz OOWNYNSWIZGXQG-UHFFFAOYSA-N 0 0 406.317 1.803 50 5 HDBARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1cccnc1 ZINC000101177169 560788876 /nfs/dbraw/zinc/78/88/76/560788876.db2.gz WROXGXCJJGHQPJ-HKOYGPOVSA-N 0 0 403.398 1.499 50 5 HDBARN COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000102768617 560825260 /nfs/dbraw/zinc/82/52/60/560825260.db2.gz FYCVBUQHXKODIT-CHWSQXEVSA-N 0 0 417.374 1.036 50 5 HDBARN O=C(NCCn1ncc2c1ncn(Cc1ccc([N+](=O)[O-])cc1)c2=O)C1CCCC1 ZINC000012071944 560888551 /nfs/dbraw/zinc/88/85/51/560888551.db2.gz HISPGNJPXKBYRK-UHFFFAOYSA-N 0 0 410.434 1.856 50 5 HDBARN CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000048301648 568437596 /nfs/dbraw/zinc/43/75/96/568437596.db2.gz FBFWQELSMQPHLM-UHFFFAOYSA-N 0 0 411.461 1.563 50 5 HDBARN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000049632639 568452712 /nfs/dbraw/zinc/45/27/12/568452712.db2.gz DCAKNOMRQBAGLV-UONOGXRCSA-N 0 0 407.448 1.884 50 5 HDBARN CNS(=O)(=O)c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000095455199 568616771 /nfs/dbraw/zinc/61/67/71/568616771.db2.gz HFQCDTACNVMHND-GFCCVEGCSA-N 0 0 406.468 1.813 50 5 HDBARN O=C(NCCN1CCOCC1)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000020664363 568639596 /nfs/dbraw/zinc/63/95/96/568639596.db2.gz CTSMHNXEKMPEBE-UHFFFAOYSA-N 0 0 420.466 1.000 50 5 HDBARN O=C(CN1CSCC1=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000021336368 568687474 /nfs/dbraw/zinc/68/74/74/568687474.db2.gz SEFMBWKXCKUMNL-UHFFFAOYSA-N 0 0 421.456 1.899 50 5 HDBARN CCCNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)n(C)n1 ZINC000096293728 568722061 /nfs/dbraw/zinc/72/20/61/568722061.db2.gz UNARYMUMIIBIPM-UHFFFAOYSA-N 0 0 423.451 1.701 50 5 HDBARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000025054927 568739627 /nfs/dbraw/zinc/73/96/27/568739627.db2.gz BWSZNFHKCUYIAM-UHFFFAOYSA-N 0 0 405.432 1.546 50 5 HDBARN Cc1ccc(NC(=O)CN(C)C(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000021698847 568741178 /nfs/dbraw/zinc/74/11/78/568741178.db2.gz PUMBFTJIZWDWMF-UHFFFAOYSA-N 0 0 415.450 1.816 50 5 HDBARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000022061448 568764569 /nfs/dbraw/zinc/76/45/69/568764569.db2.gz QGMDCIWXBQPRMQ-GOSISDBHSA-N 0 0 400.391 1.975 50 5 HDBARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001062569 568766008 /nfs/dbraw/zinc/76/60/08/568766008.db2.gz QNODPBWFFDUXDQ-UHFFFAOYSA-N 0 0 421.431 1.633 50 5 HDBARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000022559766 568769860 /nfs/dbraw/zinc/76/98/60/568769860.db2.gz DZSWXSBAQJXPMI-UHFFFAOYSA-N 0 0 416.419 1.678 50 5 HDBARN CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000025467905 568771637 /nfs/dbraw/zinc/77/16/37/568771637.db2.gz DKXQWLQVEMGPGN-UHFFFAOYSA-N 0 0 424.457 1.872 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000001134492 568773307 /nfs/dbraw/zinc/77/33/07/568773307.db2.gz CPCJRVNTADJTFG-UHFFFAOYSA-N 0 0 405.388 1.777 50 5 HDBARN CC(=O)Nc1ccc(NC(=O)COc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000002685330 568800743 /nfs/dbraw/zinc/80/07/43/568800743.db2.gz BMSLFPTWTXDEQN-UHFFFAOYSA-N 0 0 407.404 1.974 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000001178872 568819808 /nfs/dbraw/zinc/81/98/08/568819808.db2.gz UFYVWQWWCQBMHE-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)CC1 ZINC000057092969 568824076 /nfs/dbraw/zinc/82/40/76/568824076.db2.gz CJKFHNLXAMYSAC-UHFFFAOYSA-N 0 0 412.498 1.041 50 5 HDBARN CC[C@@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCS(=O)(=O)C1 ZINC000012521861 568841691 /nfs/dbraw/zinc/84/16/91/568841691.db2.gz OWOWWEZUEFNCMU-YPMHNXCESA-N 0 0 413.452 1.148 50 5 HDBARN CC[C@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000012521866 568841709 /nfs/dbraw/zinc/84/17/09/568841709.db2.gz XKFPCXVKYYOTOW-AAEUAGOBSA-N 0 0 413.452 1.148 50 5 HDBARN O=C(c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O)N(CCO)CCO ZINC000003138251 568857420 /nfs/dbraw/zinc/85/74/20/568857420.db2.gz JICVTTSTPLKWOJ-UHFFFAOYSA-N 0 0 401.331 1.141 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000003338259 568883158 /nfs/dbraw/zinc/88/31/58/568883158.db2.gz PQXHMDWVSQGEGS-UHFFFAOYSA-N 0 0 413.795 1.691 50 5 HDBARN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012640475 568885303 /nfs/dbraw/zinc/88/53/03/568885303.db2.gz ODGYQPPEZMNVNS-UHFFFAOYSA-N 0 0 415.333 1.902 50 5 HDBARN CS(=O)(=O)c1cc(C(=O)NC2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1 ZINC000058305147 568910233 /nfs/dbraw/zinc/91/02/33/568910233.db2.gz VNORXIKTGZRGQW-UHFFFAOYSA-N 0 0 405.436 1.187 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000001427788 568939529 /nfs/dbraw/zinc/93/95/29/568939529.db2.gz CWPITTPXQHRKFF-UHFFFAOYSA-N 0 0 410.452 1.987 50 5 HDBARN COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000012773832 568952998 /nfs/dbraw/zinc/95/29/98/568952998.db2.gz CHAMBPCQJPNNCG-UHFFFAOYSA-N 0 0 417.374 1.767 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000015629562 568957100 /nfs/dbraw/zinc/95/71/00/568957100.db2.gz FYCIGRHYHGZADM-UHFFFAOYSA-N 0 0 422.463 1.734 50 5 HDBARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000004313838 568961376 /nfs/dbraw/zinc/96/13/76/568961376.db2.gz AUDMXWSEKZUZOP-TXEJJXNPSA-N 0 0 403.391 1.524 50 5 HDBARN O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015711792 568975160 /nfs/dbraw/zinc/97/51/60/568975160.db2.gz MPVJGEDVCBHWTG-UHFFFAOYSA-N 0 0 415.431 1.389 50 5 HDBARN COc1cccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000008157088 568978422 /nfs/dbraw/zinc/97/84/22/568978422.db2.gz IPNYHYIZBVGGTH-HXUWFJFHSA-N 0 0 412.402 1.687 50 5 HDBARN COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100627941 569009748 /nfs/dbraw/zinc/00/97/48/569009748.db2.gz RTZAPIUQWNTXDM-UHFFFAOYSA-N 0 0 417.469 1.748 50 5 HDBARN COc1cc(CCNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000012934901 569026204 /nfs/dbraw/zinc/02/62/04/569026204.db2.gz AHBNOOQTOICYGI-TXEJJXNPSA-N 0 0 403.457 1.098 50 5 HDBARN COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)c(C)cc1[N+](=O)[O-] ZINC000016044035 569028092 /nfs/dbraw/zinc/02/80/92/569028092.db2.gz UDHDEAISKVFDNQ-UHFFFAOYSA-N 0 0 419.365 1.963 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000026722730 569053816 /nfs/dbraw/zinc/05/38/16/569053816.db2.gz SVSZGXRWABEOOT-UHFFFAOYSA-N 0 0 409.420 1.780 50 5 HDBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H]1CCOC1=O ZINC000006464759 569057850 /nfs/dbraw/zinc/05/78/50/569057850.db2.gz UXKDWXRKAPLQQE-CHWSQXEVSA-N 0 0 416.839 1.958 50 5 HDBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000016694636 569070797 /nfs/dbraw/zinc/07/07/97/569070797.db2.gz GFXZEYVZFGYZCO-AWEZNQCLSA-N 0 0 420.491 1.594 50 5 HDBARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000027054703 569072089 /nfs/dbraw/zinc/07/20/89/569072089.db2.gz XRVBCFQSZNTVLY-UHFFFAOYSA-N 0 0 413.217 1.821 50 5 HDBARN COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC ZINC000239579108 569235130 /nfs/dbraw/zinc/23/51/30/569235130.db2.gz DERPYVWALNEHPB-HOSYDEDBSA-N 0 0 410.429 1.913 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000089773142 569263653 /nfs/dbraw/zinc/26/36/53/569263653.db2.gz CLBDWYSTWYEHGR-TXEJJXNPSA-N 0 0 423.809 1.905 50 5 HDBARN Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000017089516 569274298 /nfs/dbraw/zinc/27/42/98/569274298.db2.gz JTKASHADWCZCTD-UHFFFAOYSA-N 0 0 413.419 1.829 50 5 HDBARN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000002294015 569369211 /nfs/dbraw/zinc/36/92/11/569369211.db2.gz NAERQYNXVOZYOS-PIKOESSRSA-N 0 0 410.474 1.520 50 5 HDBARN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000253432661 569369848 /nfs/dbraw/zinc/36/98/48/569369848.db2.gz MFZJCEIRLIUKRK-SFHVURJKSA-N 0 0 424.523 1.838 50 5 HDBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002396485 569394482 /nfs/dbraw/zinc/39/44/82/569394482.db2.gz ABSAXYMNOAQLRG-MHWRWJLKSA-N 0 0 410.386 1.697 50 5 HDBARN Nc1ccc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000012527689 569401739 /nfs/dbraw/zinc/40/17/39/569401739.db2.gz AVCYBRALWCCYOM-MDWZMJQESA-N 0 0 416.459 1.936 50 5 HDBARN CCCn1c(N)c(N(CCOC)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)[nH]c1=O ZINC000013134490 569409665 /nfs/dbraw/zinc/40/96/65/569409665.db2.gz UMYBABQINCMBAS-UHFFFAOYSA-N 0 0 405.411 1.039 50 5 HDBARN COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000013135079 569409732 /nfs/dbraw/zinc/40/97/32/569409732.db2.gz NTJVWDXQBNZOSS-UHFFFAOYSA-N 0 0 411.392 1.026 50 5 HDBARN CCN(CCC(=O)OC)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000079109166 569427805 /nfs/dbraw/zinc/42/78/05/569427805.db2.gz GFGRVERHNWDBFU-UHFFFAOYSA-N 0 0 401.441 1.005 50 5 HDBARN Cc1nn(CC(=O)NCCc2nc3cc([N+](=O)[O-])ccc3n2C)c(=O)c2ccccc12 ZINC000008742542 571110189 /nfs/dbraw/zinc/11/01/89/571110189.db2.gz LUBMQSRSSRVZKG-UHFFFAOYSA-N 0 0 420.429 1.859 50 5 HDBARN CC(C)[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000008774308 571117633 /nfs/dbraw/zinc/11/76/33/571117633.db2.gz JQFREAXOBBFZBZ-ZDUSSCGKSA-N 0 0 415.468 1.155 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000040083062 571156503 /nfs/dbraw/zinc/15/65/03/571156503.db2.gz FQLTUKZQPHOJEU-UHFFFAOYSA-N 0 0 411.465 1.098 50 5 HDBARN Cc1c(Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)cccc1[N+](=O)[O-] ZINC000040127557 571179332 /nfs/dbraw/zinc/17/93/32/571179332.db2.gz GYIQYDNYZFVOJS-UHFFFAOYSA-N 0 0 408.212 1.461 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000040135452 571188644 /nfs/dbraw/zinc/18/86/44/571188644.db2.gz FVWYFECUASSRJZ-LLVKDONJSA-N 0 0 412.449 1.852 50 5 HDBARN O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@H]32)C(=O)N1 ZINC000009011786 571210705 /nfs/dbraw/zinc/21/07/05/571210705.db2.gz IPYSYVUCZZMGFX-YOEHRIQHSA-N 0 0 406.398 1.866 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000009120345 571225316 /nfs/dbraw/zinc/22/53/16/571225316.db2.gz AEKCIJZRWZGMQH-UHFFFAOYSA-N 0 0 413.795 1.842 50 5 HDBARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000009508712 571263944 /nfs/dbraw/zinc/26/39/44/571263944.db2.gz NGYXDAPCQGJVQF-UHFFFAOYSA-N 0 0 407.404 1.607 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)on2)c([N+](=O)[O-])c1 ZINC000009662119 571277731 /nfs/dbraw/zinc/27/77/31/571277731.db2.gz FNVSYMYSRUXWSI-UHFFFAOYSA-N 0 0 412.424 1.939 50 5 HDBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(NS(C)(=O)=O)CC1 ZINC000010043158 571294390 /nfs/dbraw/zinc/29/43/90/571294390.db2.gz XEPCCNCGTSTUAL-JTQLQIEISA-N 0 0 404.876 1.589 50 5 HDBARN O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000010256710 571298655 /nfs/dbraw/zinc/29/86/55/571298655.db2.gz OIOSBVDRPVCHHX-UHFFFAOYSA-N 0 0 404.448 1.753 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(NC[C@H]3CCCO3)nn2)CC1 ZINC000010213402 132244652 /nfs/dbraw/zinc/24/46/52/132244652.db2.gz GPVXFMSLLKIZAH-QGZVFWFLSA-N 0 0 412.450 1.938 50 5 HDBARN C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000002783940 132257780 /nfs/dbraw/zinc/25/77/80/132257780.db2.gz DNQOSXHVFQNNQL-NSHDSACASA-N 0 0 401.383 1.439 50 5 HDBARN NC(=O)C1CCN(c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000004030484 132269752 /nfs/dbraw/zinc/26/97/52/132269752.db2.gz UHIABZHZENIMJB-GJZGRUSLSA-N 0 0 400.435 1.976 50 5 HDBARN CCOC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 ZINC000004054007 132270454 /nfs/dbraw/zinc/27/04/54/132270454.db2.gz GSYPMPNKZOJCDP-CVEARBPZSA-N 0 0 405.407 1.872 50 5 HDBARN CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3nncn3C)c2)CC1 ZINC000009971878 132344491 /nfs/dbraw/zinc/34/44/91/132344491.db2.gz QQAXFAIMOJQIRQ-UHFFFAOYSA-N 0 0 412.497 1.346 50 5 HDBARN O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000010380869 132345888 /nfs/dbraw/zinc/34/58/88/132345888.db2.gz IMMYXWBLFHXBLM-UHFFFAOYSA-N 0 0 411.397 1.736 50 5 HDBARN CC(=O)Nc1nc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cs1 ZINC000032831881 519753263 /nfs/dbraw/zinc/75/32/63/519753263.db2.gz UFCNFONHOUNYQC-UHFFFAOYSA-N 0 0 411.403 1.954 50 5 HDBARN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000032396440 520925170 /nfs/dbraw/zinc/92/51/70/520925170.db2.gz UOQLFGUUYGUREH-UHFFFAOYSA-N 0 0 406.439 1.842 50 5 HDBARN CNC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 ZINC000048346178 521887240 /nfs/dbraw/zinc/88/72/40/521887240.db2.gz BBMDVSQWKFPROD-AWEZNQCLSA-N 0 0 414.393 1.763 50 5 HDBARN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000032928058 524962426 /nfs/dbraw/zinc/96/24/26/524962426.db2.gz CHOXLJMWXRSEKE-LBPRGKRZSA-N 0 0 420.447 1.574 50 5 HDBARN CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCOC(C)=O)c1=N ZINC000016741617 558803748 /nfs/dbraw/zinc/80/37/48/558803748.db2.gz IPECMNZOQZVCAP-UHFFFAOYSA-N 0 0 411.462 1.530 50 5 HDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000247319801 558942100 /nfs/dbraw/zinc/94/21/00/558942100.db2.gz LGKILSCEMDIKSY-WNRNVDISSA-N 0 0 404.382 1.706 50 5 HDBARN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096445815 558948950 /nfs/dbraw/zinc/94/89/50/558948950.db2.gz NAERQYNXVOZYOS-TZRIAGMCSA-N 0 0 410.474 1.520 50 5 HDBARN Cc1ccc(S(=O)(=O)NCCNC(=O)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000334160472 558979976 /nfs/dbraw/zinc/97/99/76/558979976.db2.gz FMGJCWWUYJLSOY-UHFFFAOYSA-N 0 0 404.659 1.668 50 5 HDBARN COCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1ccccn1c2=O ZINC000100627994 559137067 /nfs/dbraw/zinc/13/70/67/559137067.db2.gz DFAWUCFXGCMPOZ-UHFFFAOYSA-N 0 0 407.430 1.688 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCOC)c1=N ZINC000100627992 559137086 /nfs/dbraw/zinc/13/70/86/559137086.db2.gz JAWBYQGECCPVAX-UHFFFAOYSA-N 0 0 413.478 1.240 50 5 HDBARN CC(C)NC(=O)CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NC(C)C)[C@H]2C1 ZINC000104919909 560856821 /nfs/dbraw/zinc/85/68/21/560856821.db2.gz XNXIIORTNVDXJI-IEBWSBKVSA-N 0 0 417.510 1.307 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005733142 560860413 /nfs/dbraw/zinc/86/04/13/560860413.db2.gz FFSQKNAKTIJTOA-MKXGPGLRSA-N 0 0 422.390 1.109 50 5 HDBARN O=C1NCCN1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000048312396 568439000 /nfs/dbraw/zinc/43/90/00/568439000.db2.gz WOYGQNLXWBXEBL-OAHLLOKOSA-N 0 0 423.495 1.373 50 5 HDBARN O=C(NCCN1CCOCC1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000020150311 568590466 /nfs/dbraw/zinc/59/04/66/568590466.db2.gz AEYVIQVCPGLGKV-SAPNQHFASA-N 0 0 414.418 1.407 50 5 HDBARN CN1CCN(C(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)CC1 ZINC000020295801 568597603 /nfs/dbraw/zinc/59/76/03/568597603.db2.gz KWYGPLYKPMWBPC-UHFFFAOYSA-N 0 0 418.475 1.564 50 5 HDBARN CC1CCC(NS(=O)(=O)c2ccc(N3C[C@H](O)C[C@@H]3CO)c([N+](=O)[O-])c2)CC1 ZINC000095446163 568611871 /nfs/dbraw/zinc/61/18/71/568611871.db2.gz ZNDNRYUQUWWGHV-NEXFUWMNSA-N 0 0 413.496 1.384 50 5 HDBARN COC(=O)[C@H](O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000096011339 568684111 /nfs/dbraw/zinc/68/41/11/568684111.db2.gz BJYMBOIGFQWSCP-ZEPSKSRBSA-N 0 0 415.468 1.398 50 5 HDBARN C[C@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000021635615 568725397 /nfs/dbraw/zinc/72/53/97/568725397.db2.gz QKOFJFALMDZMEV-CYBMUJFWSA-N 0 0 406.464 1.964 50 5 HDBARN O=C(Cn1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21)NCc1ccco1 ZINC000096317845 568727008 /nfs/dbraw/zinc/72/70/08/568727008.db2.gz WJZMGQJWXXUXCF-UHFFFAOYSA-N 0 0 420.381 1.970 50 5 HDBARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000022061480 568764547 /nfs/dbraw/zinc/76/45/47/568764547.db2.gz KQCLXNSBRRDFCO-MSOLQXFVSA-N 0 0 421.475 1.748 50 5 HDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000001175288 568818972 /nfs/dbraw/zinc/81/89/72/568818972.db2.gz JDOZQNUKOZYCND-UHFFFAOYSA-N 0 0 411.461 1.290 50 5 HDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000005899492 568828819 /nfs/dbraw/zinc/82/88/19/568828819.db2.gz WIPIWKYENJMMFM-UHFFFAOYSA-N 0 0 412.377 1.679 50 5 HDBARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000012529194 568843851 /nfs/dbraw/zinc/84/38/51/568843851.db2.gz BJDXACUSSNLGSV-UHFFFAOYSA-N 0 0 423.403 1.307 50 5 HDBARN C[C@@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCCCC1 ZINC000015348657 568877563 /nfs/dbraw/zinc/87/75/63/568877563.db2.gz XSFRPCKPPSPRTH-NWDGAFQWSA-N 0 0 417.418 1.960 50 5 HDBARN COC(=O)c1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000003311872 568878451 /nfs/dbraw/zinc/87/84/51/568878451.db2.gz WCPOUEIKJMZXDR-UHFFFAOYSA-N 0 0 416.342 1.583 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@@H](O)COCC1CC1 ZINC000058157317 568893645 /nfs/dbraw/zinc/89/36/45/568893645.db2.gz BZRJNOKTWHRUDZ-OAHLLOKOSA-N 0 0 413.496 1.969 50 5 HDBARN COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000003555682 568915284 /nfs/dbraw/zinc/91/52/84/568915284.db2.gz WSDVNRIVBSTQCK-UHFFFAOYSA-N 0 0 407.404 1.884 50 5 HDBARN COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000012787105 568960369 /nfs/dbraw/zinc/96/03/69/568960369.db2.gz VYQXDMPHRWRNTP-GFCCVEGCSA-N 0 0 415.402 1.982 50 5 HDBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006094708 569001068 /nfs/dbraw/zinc/00/10/68/569001068.db2.gz SUFQBCYQXUQNQC-UHFFFAOYSA-N 0 0 422.419 1.028 50 5 HDBARN Nc1nc(NC[C@H]2CCCO2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147601 569059876 /nfs/dbraw/zinc/05/98/76/569059876.db2.gz JSQFTPXRKKWONE-MRXNPFEDSA-N 0 0 413.482 1.880 50 5 HDBARN COc1ccc2cc(CN(C)C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)ccc2c1 ZINC000027054908 569072059 /nfs/dbraw/zinc/07/20/59/569072059.db2.gz AWORIGHUGDFYFY-UHFFFAOYSA-N 0 0 424.413 1.676 50 5 HDBARN O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006946279 569187461 /nfs/dbraw/zinc/18/74/61/569187461.db2.gz FHHDPTYDMXZVEO-UHFFFAOYSA-N 0 0 400.322 1.626 50 5 HDBARN COc1nn(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000036614448 569209505 /nfs/dbraw/zinc/20/95/05/569209505.db2.gz PHQFRHNWKNNRGP-UHFFFAOYSA-N 0 0 423.451 1.295 50 5 HDBARN CCCS(=O)(=O)N[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065566099 569234357 /nfs/dbraw/zinc/23/43/57/569234357.db2.gz LNGOKYJWQFAIMS-ZDUSSCGKSA-N 0 0 407.452 1.324 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H](C)S(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000170613567 569246915 /nfs/dbraw/zinc/24/69/15/569246915.db2.gz HNCRDZNTCRBVOO-CYBMUJFWSA-N 0 0 419.525 1.639 50 5 HDBARN CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1cc2c(c(OC)c1OC)OCO2 ZINC000066091340 569314530 /nfs/dbraw/zinc/31/45/30/569314530.db2.gz VTGCMYUZRLWSEB-LLVKDONJSA-N 0 0 413.379 1.535 50 5 HDBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000009548704 569393549 /nfs/dbraw/zinc/39/35/49/569393549.db2.gz ZQWGCAUHFMQQSQ-MDZDMXLPSA-N 0 0 402.384 1.996 50 5 HDBARN Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2)cccc1[N+](=O)[O-] ZINC000010385340 569395831 /nfs/dbraw/zinc/39/58/31/569395831.db2.gz WHBNXCMXYUSMRC-UHFFFAOYSA-N 0 0 405.436 1.931 50 5 HDBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012137639 569399613 /nfs/dbraw/zinc/39/96/13/569399613.db2.gz GVIOUOQVGFILFV-UHFFFAOYSA-N 0 0 421.431 1.633 50 5 HDBARN CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000002438898 569400112 /nfs/dbraw/zinc/40/01/12/569400112.db2.gz SUPUIGOEHLINRL-UHFFFAOYSA-N 0 0 400.439 1.992 50 5 HDBARN COC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000012950475 569405092 /nfs/dbraw/zinc/40/50/92/569405092.db2.gz CFZVXGZWPNXCRC-GFCCVEGCSA-N 0 0 408.750 1.561 50 5 HDBARN Cc1nn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000008692583 571102280 /nfs/dbraw/zinc/10/22/80/571102280.db2.gz KRLZFWJXBOFSBU-UHFFFAOYSA-N 0 0 415.859 1.951 50 5 HDBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000040060266 571147182 /nfs/dbraw/zinc/14/71/82/571147182.db2.gz BDDZAFPWZMZQFM-UHFFFAOYSA-N 0 0 419.463 1.843 50 5 HDBARN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040114884 571172562 /nfs/dbraw/zinc/17/25/62/571172562.db2.gz WOVIPYPBDPCDHD-QWHCGFSZSA-N 0 0 407.370 1.204 50 5 HDBARN O=C(CN1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040115438 571173162 /nfs/dbraw/zinc/17/31/62/571173162.db2.gz GQOMLUNGWZNELW-UONOGXRCSA-N 0 0 416.356 1.333 50 5 HDBARN O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F ZINC000040115889 571173724 /nfs/dbraw/zinc/17/37/24/571173724.db2.gz CUUNWIMZQAIKKJ-FZMZJTMJSA-N 0 0 400.357 1.453 50 5 HDBARN O=C1CCc2cc([N+](=O)[O-])c(N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2N1 ZINC000040139299 571189115 /nfs/dbraw/zinc/18/91/15/571189115.db2.gz NLLFLQOOZYWZQR-UHFFFAOYSA-N 0 0 416.459 1.990 50 5 HDBARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000040144996 571195041 /nfs/dbraw/zinc/19/50/41/571195041.db2.gz AEOFNPAAOJUJQJ-GJZGRUSLSA-N 0 0 419.415 1.862 50 5 HDBARN COc1ccc(NC(=O)CN2CCC(C(=O)Nc3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC000040151453 571199342 /nfs/dbraw/zinc/19/93/42/571199342.db2.gz KALKGCCJZLMBDH-UHFFFAOYSA-N 0 0 414.422 1.683 50 5 HDBARN Cc1cccc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c1[N+](=O)[O-] ZINC000009022382 571212321 /nfs/dbraw/zinc/21/23/21/571212321.db2.gz FLHYBUBIIFZPKK-UHFFFAOYSA-N 0 0 418.406 1.042 50 5 HDBARN C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCc2ccccc21 ZINC000009283258 571244836 /nfs/dbraw/zinc/24/48/36/571244836.db2.gz DCQPAYIMJGUTCC-GFCCVEGCSA-N 0 0 423.381 1.712 50 5 HDBARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009425426 571257723 /nfs/dbraw/zinc/25/77/23/571257723.db2.gz AHQURZWSQXWIBJ-UHFFFAOYSA-N 0 0 421.431 1.949 50 5 HDBARN CN(C)S(=O)(=O)c1cccc(NC(=S)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000009539575 571267300 /nfs/dbraw/zinc/26/73/00/571267300.db2.gz JYNYDDIKSUWQSV-MRXNPFEDSA-N 0 0 424.504 1.865 50 5 HDBARN NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000009714696 571281401 /nfs/dbraw/zinc/28/14/01/571281401.db2.gz MGLQLDIOQSBNSE-UHFFFAOYSA-N 0 0 413.795 1.691 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(NC[C@@H]3CCCO3)nn2)CC1 ZINC000010213399 132244689 /nfs/dbraw/zinc/24/46/89/132244689.db2.gz GPVXFMSLLKIZAH-KRWDZBQOSA-N 0 0 412.450 1.938 50 5 HDBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1N1CCOCC1 ZINC000005701757 132307648 /nfs/dbraw/zinc/30/76/48/132307648.db2.gz OBRGYQXKWNCBBF-UHFFFAOYSA-N 0 0 410.386 1.666 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O ZINC000012782803 132367190 /nfs/dbraw/zinc/36/71/90/132367190.db2.gz WUMUDQYRJJBEOD-UHFFFAOYSA-N 0 0 401.423 1.703 50 5 HDBARN C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000032928056 525112056 /nfs/dbraw/zinc/11/20/56/525112056.db2.gz CHOXLJMWXRSEKE-GFCCVEGCSA-N 0 0 420.447 1.574 50 5 HDBARN CN(C(=O)COc1cc(O)c2c(c1)oc1ccccc1c2=O)[C@H]1CCS(=O)(=O)C1 ZINC000013722137 558582514 /nfs/dbraw/zinc/58/25/14/558582514.db2.gz HOWHBZUQIGVMTE-LBPRGKRZSA-N 0 0 417.439 1.676 50 5 HDBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000032980147 558804015 /nfs/dbraw/zinc/80/40/15/558804015.db2.gz NZGYEDOQIUSPCC-AWEZNQCLSA-N 0 0 401.872 1.959 50 5 HDBARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccsc2[N+](=O)[O-])cc1 ZINC000013520199 558835715 /nfs/dbraw/zinc/83/57/15/558835715.db2.gz YQBFHVRIHACJRH-UHFFFAOYSA-N 0 0 401.491 1.755 50 5 HDBARN O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])CC1 ZINC000013574160 558844958 /nfs/dbraw/zinc/84/49/58/558844958.db2.gz GYJRRRBZOYZAAO-UHFFFAOYSA-N 0 0 418.797 1.623 50 5 HDBARN NC(=O)C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 ZINC000004693911 558900725 /nfs/dbraw/zinc/90/07/25/558900725.db2.gz VBBPEKUEZYEBCP-UHFFFAOYSA-N 0 0 410.430 1.962 50 5 HDBARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023107343 559010496 /nfs/dbraw/zinc/01/04/96/559010496.db2.gz NQWAVKMPBPPPGL-SFHVURJKSA-N 0 0 416.409 1.862 50 5 HDBARN N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 ZINC000100627269 559137094 /nfs/dbraw/zinc/13/70/94/559137094.db2.gz KUXUMXOWEWRGNF-CQSZACIVSA-N 0 0 419.441 1.679 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N ZINC000100627249 559137105 /nfs/dbraw/zinc/13/71/05/559137105.db2.gz XQLAXMKFRLJFCC-UHFFFAOYSA-N 0 0 407.430 1.536 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000014236980 559160959 /nfs/dbraw/zinc/16/09/59/559160959.db2.gz XUYKMFMIFRIFJD-DGCLKSJQSA-N 0 0 414.436 1.184 50 5 HDBARN CS(=O)(=O)c1ccc(NCCCN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000023888249 559181649 /nfs/dbraw/zinc/18/16/49/559181649.db2.gz HUMYUIXFMOAQNQ-UHFFFAOYSA-N 0 0 420.495 1.413 50 5 HDBARN CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCn2ccnc2)c1=N ZINC000100630715 559247072 /nfs/dbraw/zinc/24/70/72/559247072.db2.gz NHZNDDQDRURFAW-UHFFFAOYSA-N 0 0 405.462 1.474 50 5 HDBARN Cn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c1nc1ccccn1c2=O ZINC000101049214 560767483 /nfs/dbraw/zinc/76/74/83/560767483.db2.gz DBDQGWUULUOYOC-UHFFFAOYSA-N 0 0 403.398 1.324 50 5 HDBARN CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101455817 560795156 /nfs/dbraw/zinc/79/51/56/560795156.db2.gz VMADADGXFCFRGO-CYBMUJFWSA-N 0 0 403.420 1.765 50 5 HDBARN COc1ccccc1-n1c2nc(-c3ccc([N+](=O)[O-])cc3)nc(C(N)=O)c2[nH]c1=O ZINC000012140173 560890136 /nfs/dbraw/zinc/89/01/36/560890136.db2.gz LNGCGWDRFHVPPS-UHFFFAOYSA-N 0 0 406.358 1.792 50 5 HDBARN O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000024962658 568500441 /nfs/dbraw/zinc/50/04/41/568500441.db2.gz IOACLFULHDUHQI-UHFFFAOYSA-N 0 0 404.448 1.811 50 5 HDBARN O=C(OCc1ccccc1)C1=C[C@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)NN1 ZINC000020070437 568587137 /nfs/dbraw/zinc/58/71/37/568587137.db2.gz HNWFJJLWKNZINW-HXUWFJFHSA-N 0 0 408.370 1.690 50 5 HDBARN COc1ccc(NC(=O)c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)cc1 ZINC000020387415 568602288 /nfs/dbraw/zinc/60/22/88/568602288.db2.gz YCEHKWUFVPRRGS-UHFFFAOYSA-N 0 0 400.435 1.970 50 5 HDBARN Cc1cc(C)n(C[C@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CCO2)n1 ZINC000095455281 568616673 /nfs/dbraw/zinc/61/66/73/568616673.db2.gz FKEMKLWJSPPAJZ-GFCCVEGCSA-N 0 0 400.482 1.779 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ncn3)CC2)c([N+](=O)[O-])c1 ZINC000095458376 568618952 /nfs/dbraw/zinc/61/89/52/568618952.db2.gz BGCMWCPVPIFMIK-UHFFFAOYSA-N 0 0 413.843 1.558 50 5 HDBARN CC(=O)c1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)c(F)c1 ZINC000024991024 568711237 /nfs/dbraw/zinc/71/12/37/568711237.db2.gz JFZHIXLMLKXPTP-UHFFFAOYSA-N 0 0 402.382 1.447 50 5 HDBARN Cc1cc(=O)c(C(=O)N2CCC3(CC2)OCCO3)nn1-c1ccccc1[N+](=O)[O-] ZINC000024996799 568711377 /nfs/dbraw/zinc/71/13/77/568711377.db2.gz ACAUSIHONKBXRK-UHFFFAOYSA-N 0 0 400.391 1.428 50 5 HDBARN O=C(Cn1c(=O)n(-c2cccc([N+](=O)[O-])c2)c(=O)c2ccccc21)NCc1ccco1 ZINC000096317819 568727104 /nfs/dbraw/zinc/72/71/04/568727104.db2.gz VSUFZKUELDHQLE-UHFFFAOYSA-N 0 0 420.381 1.970 50 5 HDBARN O=C(CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000052395472 568764819 /nfs/dbraw/zinc/76/48/19/568764819.db2.gz GCCGBIYEPDLTQE-SSDOTTSWSA-N 0 0 415.777 1.982 50 5 HDBARN NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000022185081 568765105 /nfs/dbraw/zinc/76/51/05/568765105.db2.gz ZCHKWTIBHDQIAV-UHFFFAOYSA-N 0 0 408.461 1.089 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(N[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000097237213 568770460 /nfs/dbraw/zinc/77/04/60/568770460.db2.gz PJZCDKOCKGHTAU-MRXNPFEDSA-N 0 0 400.501 1.350 50 5 HDBARN CCOC(=O)CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000003023956 568840946 /nfs/dbraw/zinc/84/09/46/568840946.db2.gz JHUAGUVYZAYZGO-UHFFFAOYSA-N 0 0 406.416 1.862 50 5 HDBARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000019160009 568865822 /nfs/dbraw/zinc/86/58/22/568865822.db2.gz NCZKJYBWKJTTGE-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NCCc1ccccc1 ZINC000015278013 568869592 /nfs/dbraw/zinc/86/95/92/568869592.db2.gz GGTIUZCSWICMDI-UHFFFAOYSA-N 0 0 413.430 1.947 50 5 HDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000058006360 568874729 /nfs/dbraw/zinc/87/47/29/568874729.db2.gz UOZLUEHAAXRMSN-LBPRGKRZSA-N 0 0 408.370 1.113 50 5 HDBARN COC(=O)N1CCCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 ZINC000058209206 568899717 /nfs/dbraw/zinc/89/97/17/568899717.db2.gz FXYXUYMMJIAHMR-UHFFFAOYSA-N 0 0 415.406 1.363 50 5 HDBARN COCCCn1c(=O)c2ccc3c(=O)n(CCCOC)c(=O)c4ccc(c1=O)c2c34 ZINC000004724284 568933069 /nfs/dbraw/zinc/93/30/69/568933069.db2.gz VZEBIJMLBREBNW-UHFFFAOYSA-N 0 0 410.426 1.139 50 5 HDBARN COc1cc([C@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000001441656 568968965 /nfs/dbraw/zinc/96/89/65/568968965.db2.gz WZVHZSURVILIIU-INIZCTEOSA-N 0 0 422.419 1.643 50 5 HDBARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000012865686 569012097 /nfs/dbraw/zinc/01/20/97/569012097.db2.gz BHKCNDGXADTCOU-HNNXBMFYSA-N 0 0 413.452 1.589 50 5 HDBARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc([N+](=O)[O-])c1 ZINC000015883806 569019329 /nfs/dbraw/zinc/01/93/29/569019329.db2.gz POCOKBRLETXSDY-UHFFFAOYSA-N 0 0 402.432 1.979 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000016428504 569050220 /nfs/dbraw/zinc/05/02/20/569050220.db2.gz YWOMULUGWMJZAY-UHFFFAOYSA-N 0 0 406.420 1.331 50 5 HDBARN COCCCn1c(-c2ccc([N+](=O)[O-])cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000001875403 569056776 /nfs/dbraw/zinc/05/67/76/569056776.db2.gz AZTMLJCLEGJXRA-UHFFFAOYSA-N 0 0 412.406 1.298 50 5 HDBARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000006560115 569065758 /nfs/dbraw/zinc/06/57/58/569065758.db2.gz DUXVHYUFLSDGQV-UHFFFAOYSA-N 0 0 414.349 1.427 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000006580633 569066929 /nfs/dbraw/zinc/06/69/29/569066929.db2.gz YWEUWNWWOCKLGD-FQEVSTJZSA-N 0 0 410.386 1.935 50 5 HDBARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007238837 569230238 /nfs/dbraw/zinc/23/02/38/569230238.db2.gz VFTXLYMPGUXUQF-UHFFFAOYSA-N 0 0 401.375 1.905 50 5 HDBARN Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1[N+](=O)[O-] ZINC000014207119 569258939 /nfs/dbraw/zinc/25/89/39/569258939.db2.gz HBWRMQJQZGEDKI-UHFFFAOYSA-N 0 0 401.423 1.703 50 5 HDBARN O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C(=O)N1 ZINC000017014261 569271240 /nfs/dbraw/zinc/27/12/40/569271240.db2.gz IPYSYVUCZZMGFX-WMLDXEAASA-N 0 0 406.398 1.866 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2cccnc2)c1=N ZINC000100677384 569283664 /nfs/dbraw/zinc/28/36/64/569283664.db2.gz NUAKQZCTKFDUKO-UHFFFAOYSA-N 0 0 418.457 1.338 50 5 HDBARN CCCn1c(N)c(N(CCOC)C(=O)C=Cc2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000014911824 569285199 /nfs/dbraw/zinc/28/51/99/569285199.db2.gz WNCHBALHYJAUGR-BQYQJAHWSA-N 0 0 417.422 1.130 50 5 HDBARN CC(C)n1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002229658 569312896 /nfs/dbraw/zinc/31/28/96/569312896.db2.gz SRLDVFGSDMVNCT-UHFFFAOYSA-N 0 0 403.420 1.887 50 5 HDBARN CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1cc2c(c(OC)c1OC)OCO2 ZINC000066091339 569314559 /nfs/dbraw/zinc/31/45/59/569314559.db2.gz VTGCMYUZRLWSEB-NSHDSACASA-N 0 0 413.379 1.535 50 5 HDBARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000002273138 569327662 /nfs/dbraw/zinc/32/76/62/569327662.db2.gz AJFAUNCMDRJDAX-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000009850366 569394261 /nfs/dbraw/zinc/39/42/61/569394261.db2.gz HCVYWFOHBSWZHB-UHFFFAOYSA-N 0 0 413.477 1.468 50 5 HDBARN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000012428806 569401236 /nfs/dbraw/zinc/40/12/36/569401236.db2.gz HZHLYIAIWVWMDB-UHFFFAOYSA-N 0 0 421.325 1.024 50 5 HDBARN COC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000012950482 569405152 /nfs/dbraw/zinc/40/51/52/569405152.db2.gz CFZVXGZWPNXCRC-LBPRGKRZSA-N 0 0 408.750 1.561 50 5 HDBARN C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2[C@@H](C)O1 ZINC000013135576 569409763 /nfs/dbraw/zinc/40/97/63/569409763.db2.gz VIXMBQCARUTQKT-HFAKWTLXSA-N 0 0 402.407 1.170 50 5 HDBARN COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N1 ZINC000019788382 569429770 /nfs/dbraw/zinc/42/97/70/569429770.db2.gz NAQXGRLNPLSGNV-INIZCTEOSA-N 0 0 404.375 1.719 50 5 HDBARN CC(C)[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000008774306 571117561 /nfs/dbraw/zinc/11/75/61/571117561.db2.gz JQFREAXOBBFZBZ-CYBMUJFWSA-N 0 0 415.468 1.155 50 5 HDBARN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040051278 571145272 /nfs/dbraw/zinc/14/52/72/571145272.db2.gz DPHGPSOWYMSIDY-KRWDZBQOSA-N 0 0 410.430 1.374 50 5 HDBARN COC(=O)c1cc([N+](=O)[O-])ccc1NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040091242 571161262 /nfs/dbraw/zinc/16/12/62/571161262.db2.gz PGUSTEXBWJHKCG-VXGBXAGGSA-N 0 0 401.441 1.232 50 5 HDBARN O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040115436 571173044 /nfs/dbraw/zinc/17/30/44/571173044.db2.gz GQOMLUNGWZNELW-ZIAGYGMSSA-N 0 0 416.356 1.333 50 5 HDBARN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040115366 571173099 /nfs/dbraw/zinc/17/30/99/571173099.db2.gz GAERUIANRXMPMV-STQMWFEESA-N 0 0 407.370 1.204 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000245284919 571222939 /nfs/dbraw/zinc/22/29/39/571222939.db2.gz UWZSQEJSFNNEGX-OGJWQKAUSA-N 0 0 423.447 1.928 50 5 HDBARN NC(=O)Cn1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 ZINC000069458653 571228281 /nfs/dbraw/zinc/22/82/81/571228281.db2.gz YIGJPCANLDIVPY-UHFFFAOYSA-N 0 0 422.467 1.585 50 5 HDBARN Cn1c2nc(N3CCCCC3)n(C[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O ZINC000009243171 571240996 /nfs/dbraw/zinc/24/09/96/571240996.db2.gz YGFJKHWZAUJYFA-AWEZNQCLSA-N 0 0 414.422 1.055 50 5 HDBARN CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000009440167 571258967 /nfs/dbraw/zinc/25/89/67/571258967.db2.gz VJWQNXLITSMWHP-LLVKDONJSA-N 0 0 404.466 1.485 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000009716813 571281738 /nfs/dbraw/zinc/28/17/38/571281738.db2.gz GAGOKMYZNXZABQ-UHFFFAOYSA-N 0 0 422.325 1.842 50 5 HDBARN CS(=O)(=O)c1ccc(NCCNC(=O)Cc2cn3ccsc3n2)c([N+](=O)[O-])c1 ZINC000009931426 571290830 /nfs/dbraw/zinc/29/08/30/571290830.db2.gz LUQALLJXKNNTQH-UHFFFAOYSA-N 0 0 423.476 1.478 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O ZINC000010188062 571296339 /nfs/dbraw/zinc/29/63/39/571296339.db2.gz MCEKNSGFQDKHMS-JTQLQIEISA-N 0 0 405.388 1.775 50 5 HDBARN Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc([N+](=O)[O-])c1)CN=3)C(=O)N2 ZINC000001860090 132248306 /nfs/dbraw/zinc/24/83/06/132248306.db2.gz CQSRYXWDNJHDST-MSUUIHNZSA-N 0 0 421.438 1.332 50 5 HDBARN O=C(NCCCNC(=O)c1cnccn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000007367635 132324171 /nfs/dbraw/zinc/32/41/71/132324171.db2.gz MHHFGJZGIXJWPN-UHFFFAOYSA-N 0 0 412.450 1.925 50 5 HDBARN Cc1cccc(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)c1 ZINC000010557203 132346215 /nfs/dbraw/zinc/34/62/15/132346215.db2.gz RIOLCXRUFRCTBT-UHFFFAOYSA-N 0 0 408.414 1.848 50 5 HDBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000012523048 132361771 /nfs/dbraw/zinc/36/17/71/132361771.db2.gz KJANTXRKVFUQRD-UHFFFAOYSA-N 0 0 415.450 1.815 50 5 HDBARN CS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000012561396 132363908 /nfs/dbraw/zinc/36/39/08/132363908.db2.gz IYBZSGIVYGZLNN-UHFFFAOYSA-N 0 0 419.463 1.425 50 5 HDBARN Cc1ccc(NC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)cc1[N+](=O)[O-] ZINC000012852748 132367878 /nfs/dbraw/zinc/36/78/78/132367878.db2.gz WAUWKGIVYGCSQE-UHFFFAOYSA-N 0 0 410.438 1.341 50 5 HDBARN Cc1cccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1[N+](=O)[O-] ZINC000012616702 524180312 /nfs/dbraw/zinc/18/03/12/524180312.db2.gz IZPFQBCLAYLNGU-UHFFFAOYSA-N 0 0 413.459 1.931 50 5 HDBARN CC(=O)c1cccc(N2CN=c3sc(=Cc4ccc([N+](=O)[O-])cc4)c(=O)n3C2)c1 ZINC000001135814 534889833 /nfs/dbraw/zinc/88/98/33/534889833.db2.gz QIKOEKIHLGTVFS-NVMNQCDNSA-N 0 0 408.439 1.904 50 5 HDBARN COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C(C)C)C2=O)OC ZINC000009129292 536508266 /nfs/dbraw/zinc/50/82/66/536508266.db2.gz XIVDEFRTNCFKNQ-IBGZPJMESA-N 0 0 420.422 1.049 50 5 HDBARN COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C(C)C)C2=O)OC ZINC000009129291 536509105 /nfs/dbraw/zinc/50/91/05/536509105.db2.gz XIVDEFRTNCFKNQ-LJQANCHMSA-N 0 0 420.422 1.049 50 5 HDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=Cc3ccccc3N21 ZINC000247319809 527262453 /nfs/dbraw/zinc/26/24/53/527262453.db2.gz LGKILSCEMDIKSY-XDNAFOTISA-N 0 0 404.382 1.706 50 5 HDBARN O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000004372984 558479207 /nfs/dbraw/zinc/47/92/07/558479207.db2.gz RBPHXNPVMSXPBP-SFHVURJKSA-N 0 0 408.414 1.685 50 5 HDBARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000004555418 558678699 /nfs/dbraw/zinc/67/86/99/558678699.db2.gz FBSDMNMAFGTIQY-OAHLLOKOSA-N 0 0 411.370 1.514 50 5 HDBARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023107341 559010512 /nfs/dbraw/zinc/01/05/12/559010512.db2.gz NQWAVKMPBPPPGL-GOSISDBHSA-N 0 0 416.409 1.862 50 5 HDBARN COc1cccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)c1 ZINC000023108053 559010858 /nfs/dbraw/zinc/01/08/58/559010858.db2.gz WCELIDCMEQUITP-IBGZPJMESA-N 0 0 421.475 1.955 50 5 HDBARN CC(C)(C)NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000013984682 559110009 /nfs/dbraw/zinc/11/00/09/559110009.db2.gz UEBSPRZNHUGZTE-UHFFFAOYSA-N 0 0 411.890 1.719 50 5 HDBARN CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004952825 559215673 /nfs/dbraw/zinc/21/56/73/559215673.db2.gz RRMDZPCQVYLAJB-UHFFFAOYSA-N 0 0 418.450 1.748 50 5 HDBARN COCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(C)cc2)c1=N ZINC000100631385 559247081 /nfs/dbraw/zinc/24/70/81/559247081.db2.gz QAMPKEQOMQRFLM-UHFFFAOYSA-N 0 0 417.469 1.862 50 5 HDBARN C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000101858864 560803954 /nfs/dbraw/zinc/80/39/54/560803954.db2.gz NHMQUGWTJOIDLJ-WBAXXEDZSA-N 0 0 412.446 1.583 50 5 HDBARN C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000105114469 560861707 /nfs/dbraw/zinc/86/17/07/560861707.db2.gz SUHLTYURFCLCCA-OBJOEFQTSA-N 0 0 417.418 1.817 50 5 HDBARN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000108169708 560898203 /nfs/dbraw/zinc/89/82/03/560898203.db2.gz IXCJXXULVUITFR-WCQYABFASA-N 0 0 400.453 1.784 50 5 HDBARN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2cccc(N3CCCC3=O)c2)c1=O ZINC000048300678 568437378 /nfs/dbraw/zinc/43/73/78/568437378.db2.gz QSJKUUUTGUNTES-UHFFFAOYSA-N 0 0 414.374 1.309 50 5 HDBARN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000048340086 568440248 /nfs/dbraw/zinc/44/02/48/568440248.db2.gz STMOXXBZVXETAW-UHFFFAOYSA-N 0 0 404.448 1.641 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000006580637 568455986 /nfs/dbraw/zinc/45/59/86/568455986.db2.gz YWEUWNWWOCKLGD-HXUWFJFHSA-N 0 0 410.386 1.935 50 5 HDBARN CN(C)[C@@H]1N(C(=O)c2cccc([N+](=O)[O-])c2)N=C2c3ccccc3S(=O)(=O)N21 ZINC000019929873 568585989 /nfs/dbraw/zinc/58/59/89/568585989.db2.gz CBNIELXRDWTVDI-QGZVFWFLSA-N 0 0 401.404 1.262 50 5 HDBARN Cc1cc(C)n(C[C@@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CCO2)n1 ZINC000095455280 568616768 /nfs/dbraw/zinc/61/67/68/568616768.db2.gz FKEMKLWJSPPAJZ-LBPRGKRZSA-N 0 0 400.482 1.779 50 5 HDBARN CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC2CC2)nn1C ZINC000096291797 568720833 /nfs/dbraw/zinc/72/08/33/568720833.db2.gz BNXGITLSPZZZMI-UHFFFAOYSA-N 0 0 423.451 1.701 50 5 HDBARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000899669 568741107 /nfs/dbraw/zinc/74/11/07/568741107.db2.gz OCVZJTYHBRMHGS-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN Cc1cc(C)cc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000941647 568753284 /nfs/dbraw/zinc/75/32/84/568753284.db2.gz FJIYCJPJBJPRNF-UHFFFAOYSA-N 0 0 411.370 1.990 50 5 HDBARN CCn1ncc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C(N)=O ZINC000002781624 568808356 /nfs/dbraw/zinc/80/83/56/568808356.db2.gz IOFGCGZHXBJUBT-UHFFFAOYSA-N 0 0 401.383 1.617 50 5 HDBARN CS(=O)(=O)N1CCC(C(=O)Nc2cc(OCC(F)F)cc([N+](=O)[O-])c2)CC1 ZINC000002804140 568811049 /nfs/dbraw/zinc/81/10/49/568811049.db2.gz GNNOGWQYVQYJRU-UHFFFAOYSA-N 0 0 407.395 1.849 50 5 HDBARN CCCS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000058004329 568874495 /nfs/dbraw/zinc/87/44/95/568874495.db2.gz JLKAEXYHCNLRPO-UHFFFAOYSA-N 0 0 405.498 1.297 50 5 HDBARN CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000003321932 568880445 /nfs/dbraw/zinc/88/04/45/568880445.db2.gz UWRMWYZDQSRRCV-UHFFFAOYSA-N 0 0 420.399 1.996 50 5 HDBARN O=c1c2ccc3c(=O)n(-c4ccncc4)c(=O)c4ccc(c(=O)n1-c1ccncc1)c2c34 ZINC000001234946 568883094 /nfs/dbraw/zinc/88/30/94/568883094.db2.gz IBRPEOCBRYYINT-UHFFFAOYSA-N 0 0 420.384 1.834 50 5 HDBARN Cc1c(C)[n+]([O-])c([C@@H](c2ccc([N+](=O)[O-])cc2)C2C(=O)OC(C)(C)OC2=O)n1C ZINC000263588571 568884261 /nfs/dbraw/zinc/88/42/61/568884261.db2.gz VVSLERAHUBESRU-AWEZNQCLSA-N 0 0 403.391 1.768 50 5 HDBARN CC(C)CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003347315 568884761 /nfs/dbraw/zinc/88/47/61/568884761.db2.gz XVAVQEMCYSMREY-MRXNPFEDSA-N 0 0 411.480 1.386 50 5 HDBARN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1[N+](=O)[O-] ZINC000003409393 568897676 /nfs/dbraw/zinc/89/76/76/568897676.db2.gz PCBHAYIKYIOFOX-UHFFFAOYSA-N 0 0 413.481 1.003 50 5 HDBARN COc1ccc(CCNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012760418 568945160 /nfs/dbraw/zinc/94/51/60/568945160.db2.gz LWRUSUGRPQXIDE-LPHOPBHVSA-N 0 0 419.434 1.548 50 5 HDBARN O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000015952900 569024507 /nfs/dbraw/zinc/02/45/07/569024507.db2.gz NAERQYNXVOZYOS-KJWXAFIESA-N 0 0 410.474 1.520 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(F)cc1 ZINC000016382270 569039979 /nfs/dbraw/zinc/03/99/79/569039979.db2.gz FJXZUPATUCEGRP-UHFFFAOYSA-N 0 0 422.438 1.679 50 5 HDBARN COC(=O)c1ccc(CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000016516367 569058398 /nfs/dbraw/zinc/05/83/98/569058398.db2.gz LGFSPNVWRCQHOO-UHFFFAOYSA-N 0 0 412.446 1.820 50 5 HDBARN Cc1nn(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000036614489 569209508 /nfs/dbraw/zinc/20/95/08/569209508.db2.gz KVQUSRDPVUXSTG-UHFFFAOYSA-N 0 0 421.479 1.904 50 5 HDBARN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000007499620 569242693 /nfs/dbraw/zinc/24/26/93/569242693.db2.gz WZVOUMUVOXGHDJ-UHFFFAOYSA-N 0 0 404.448 1.707 50 5 HDBARN C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000253426823 569368345 /nfs/dbraw/zinc/36/83/45/569368345.db2.gz RPFIMLDAWHCJTD-QGZVFWFLSA-N 0 0 404.404 1.209 50 5 HDBARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017986904 569382180 /nfs/dbraw/zinc/38/21/80/569382180.db2.gz XIVLDVZEKXJNAG-TXEJJXNPSA-N 0 0 406.778 1.925 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012985829 569405804 /nfs/dbraw/zinc/40/58/04/569405804.db2.gz KUPOZSYLUWTOTK-ZYHUDNBSSA-N 0 0 418.855 1.829 50 5 HDBARN COC(=O)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])c1 ZINC000008721919 571106973 /nfs/dbraw/zinc/10/69/73/571106973.db2.gz YOJOHKAENFBBFH-UHFFFAOYSA-N 0 0 407.404 1.001 50 5 HDBARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009195986 571235909 /nfs/dbraw/zinc/23/59/09/571235909.db2.gz QCZPONTWOFZWJL-VBNZEHGJSA-N 0 0 415.402 1.806 50 5 HDBARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NCc1ccco1 ZINC000009691643 571280448 /nfs/dbraw/zinc/28/04/48/571280448.db2.gz MAKYCVJVFKYFGU-UHFFFAOYSA-N 0 0 409.420 1.668 50 5 HDBARN C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000005930831 132308566 /nfs/dbraw/zinc/30/85/66/132308566.db2.gz NHMQUGWTJOIDLJ-BMGDILEWSA-N 0 0 412.446 1.583 50 5 HDBARN CCOc1ccccc1N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000006319352 132310317 /nfs/dbraw/zinc/31/03/17/132310317.db2.gz GIANEBTWZBSNIS-UHFFFAOYSA-N 0 0 406.464 1.968 50 5 HDBARN NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012522279 132361666 /nfs/dbraw/zinc/36/16/66/132361666.db2.gz PIDXATNGABRANO-HXUWFJFHSA-N 0 0 423.473 1.156 50 5 HDBARN Cc1csc2nc(CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc(=O)n12 ZINC000010536753 557258762 /nfs/dbraw/zinc/25/87/62/557258762.db2.gz XRBLMGPWSCLBLA-GOSISDBHSA-N 0 0 413.415 1.940 50 5 HDBARN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000004524661 558652179 /nfs/dbraw/zinc/65/21/79/558652179.db2.gz UEWKLALUZLGBCS-UHFFFAOYSA-N 0 0 405.432 1.649 50 5 HDBARN CC(=O)N1CCN(C(=O)[C@H](C)N2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000072308614 558769695 /nfs/dbraw/zinc/76/96/95/558769695.db2.gz IMNAXPSGXWKKKF-HNNXBMFYSA-N 0 0 415.494 1.654 50 5 HDBARN COCCCOC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000072311768 558794838 /nfs/dbraw/zinc/79/48/38/558794838.db2.gz BZWRWKBRXAIYKU-GOSISDBHSA-N 0 0 405.451 1.772 50 5 HDBARN COc1ccccc1Cn1ccc2nc3ccn(-c4nc[nH]n4)c(=O)c3cc2c1=O ZINC000036359852 558799428 /nfs/dbraw/zinc/79/94/28/558799428.db2.gz QVXOJGBIIYJOCI-UHFFFAOYSA-N 0 0 400.398 1.876 50 5 HDBARN CCOc1ccc(NC(=O)C[C@H]([NH2+]CCCN2CCOCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000022997099 558982428 /nfs/dbraw/zinc/98/24/28/558982428.db2.gz MAVJQEPYOIDNOM-INIZCTEOSA-N 0 0 424.454 1.087 50 5 HDBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000096988756 558987167 /nfs/dbraw/zinc/98/71/67/558987167.db2.gz WUSZHCMLIBHCCC-UHFFFAOYSA-N 0 0 412.446 1.820 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000023134804 559018142 /nfs/dbraw/zinc/01/81/42/559018142.db2.gz ZDGGMUHOQZJSKI-UHFFFAOYSA-N 0 0 419.348 1.400 50 5 HDBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccco3)c(=N)n1CCCO)c2=O ZINC000100630560 559137170 /nfs/dbraw/zinc/13/71/70/559137170.db2.gz QZPGWTDYLYMMED-UHFFFAOYSA-N 0 0 407.430 1.342 50 5 HDBARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2N)cc1 ZINC000033409025 559164430 /nfs/dbraw/zinc/16/44/30/559164430.db2.gz DZSHOUDUCOCAQZ-UHFFFAOYSA-N 0 0 418.387 1.838 50 5 HDBARN O=[N+]([O-])c1ccc2c(cnn2CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000023486686 559176318 /nfs/dbraw/zinc/17/63/18/559176318.db2.gz CNHUAWYKQFCERR-UHFFFAOYSA-N 0 0 407.477 1.970 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(N)=O)[C@H]2C1=O ZINC000248102751 559263439 /nfs/dbraw/zinc/26/34/39/559263439.db2.gz KEKUGUJXCCMEHX-BVBHFADKSA-N 0 0 418.409 1.778 50 5 HDBARN Cc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCO)c2=N)cc1 ZINC000100861123 560760372 /nfs/dbraw/zinc/76/03/72/560760372.db2.gz XVNPJGPUYJWREF-UHFFFAOYSA-N 0 0 403.442 1.359 50 5 HDBARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102592290 560817533 /nfs/dbraw/zinc/81/75/33/560817533.db2.gz ZIURPXKVOFZGSJ-KBPBESRZSA-N 0 0 403.391 1.560 50 5 HDBARN Cc1nn(C)c(C)c1C1=NO[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(O)=C12 ZINC000102725765 560821722 /nfs/dbraw/zinc/82/17/22/560821722.db2.gz XQQZYBNDRKQGGI-ZFWWWQNUSA-N 0 0 403.782 1.891 50 5 HDBARN O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000048310980 568436785 /nfs/dbraw/zinc/43/67/85/568436785.db2.gz CXSLTDJMBVNDJG-INIZCTEOSA-N 0 0 416.482 1.566 50 5 HDBARN O=C(Cn1cnc([N+](=O)[O-])c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000024834755 568469897 /nfs/dbraw/zinc/46/98/97/568469897.db2.gz GRQSJGWOUPEMDW-UHFFFAOYSA-N 0 0 419.463 1.555 50 5 HDBARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000000840681 568521706 /nfs/dbraw/zinc/52/17/06/568521706.db2.gz RGIDXFRJUPDTTI-UHFFFAOYSA-N 0 0 405.432 1.649 50 5 HDBARN Cc1[nH]c(CN(C)C(=O)NCCN2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095455553 568617096 /nfs/dbraw/zinc/61/70/96/568617096.db2.gz RQPKEIBWSIJXBR-UHFFFAOYSA-N 0 0 402.455 1.767 50 5 HDBARN CNc1cc(N2CCC[C@H]2CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])ncn1 ZINC000095467712 568624893 /nfs/dbraw/zinc/62/48/93/568624893.db2.gz PBVWPINEJKQMIN-NSHDSACASA-N 0 0 407.456 1.155 50 5 HDBARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000001140165 568772110 /nfs/dbraw/zinc/77/21/10/568772110.db2.gz SAUGRXIAIZBKHQ-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1S(=O)(=O)N1CCCCC1 ZINC000028246541 568783531 /nfs/dbraw/zinc/78/35/31/568783531.db2.gz QIZSHWDZHGRQTP-UHFFFAOYSA-N 0 0 423.451 1.613 50 5 HDBARN COC(=O)c1sc2ncn3nc(Cn4cc([N+](=O)[O-])c(OC)n4)nc3c2c1C ZINC000002790376 568809582 /nfs/dbraw/zinc/80/95/82/568809582.db2.gz ABYUVCLUGWGQRQ-UHFFFAOYSA-N 0 0 403.380 1.596 50 5 HDBARN Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1cn(C)nc1C(=O)NCc1ccco1 ZINC000002805145 568810909 /nfs/dbraw/zinc/81/09/09/568810909.db2.gz XHKXACZFNOHBPI-UHFFFAOYSA-N 0 0 401.383 1.385 50 5 HDBARN CC(=O)[C@]1(I)C(=O)C(=O)N(c2cc(C)ccc2[N+](=O)[O-])C1=O ZINC000025573261 568822351 /nfs/dbraw/zinc/82/23/51/568822351.db2.gz ZPMLPWRPURVNQY-ZDUSSCGKSA-N 0 0 416.127 1.108 50 5 HDBARN O=C(NCc1ccccn1)c1[nH]nc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000034831397 568828809 /nfs/dbraw/zinc/82/88/09/568828809.db2.gz MOXDYVWGUMJURR-UHFFFAOYSA-N 0 0 406.402 1.841 50 5 HDBARN CN(C)c1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 ZINC000012510739 568840322 /nfs/dbraw/zinc/84/03/22/568840322.db2.gz WQASTENCXHQAGW-UHFFFAOYSA-N 0 0 407.452 1.820 50 5 HDBARN CC[C@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000012521860 568841722 /nfs/dbraw/zinc/84/17/22/568841722.db2.gz OWOWWEZUEFNCMU-WCQYABFASA-N 0 0 413.452 1.148 50 5 HDBARN CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000030030085 568856771 /nfs/dbraw/zinc/85/67/71/568856771.db2.gz BGFNAYCECZYZOQ-SFHVURJKSA-N 0 0 410.430 1.836 50 5 HDBARN O=C(NC[C@H]1CCCO1)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000012599957 568869783 /nfs/dbraw/zinc/86/97/83/568869783.db2.gz CVIFNYRJFKKFCG-CALCHBBNSA-N 0 0 403.435 1.569 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000003358436 568887189 /nfs/dbraw/zinc/88/71/89/568887189.db2.gz LWTJIOGVECDZQY-UHFFFAOYSA-N 0 0 404.356 1.409 50 5 HDBARN Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001393697 568925050 /nfs/dbraw/zinc/92/50/50/568925050.db2.gz SVXAZBUUVRGLDF-UHFFFAOYSA-N 0 0 403.416 1.627 50 5 HDBARN C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157457 568946962 /nfs/dbraw/zinc/94/69/62/568946962.db2.gz GKWWSMLMOAPXHH-SYCOBUBCSA-N 0 0 400.387 1.740 50 5 HDBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H]1CCOC1=O ZINC000006464761 569057858 /nfs/dbraw/zinc/05/78/58/569057858.db2.gz UXKDWXRKAPLQQE-OLZOCXBDSA-N 0 0 416.839 1.958 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1cccc(F)c1 ZINC000016520519 569058505 /nfs/dbraw/zinc/05/85/05/569058505.db2.gz XHWYHORKHUNVTO-UHFFFAOYSA-N 0 0 422.438 1.679 50 5 HDBARN Nc1nc(NC[C@@H]2CCCO2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000054147598 569059888 /nfs/dbraw/zinc/05/98/88/569059888.db2.gz JSQFTPXRKKWONE-INIZCTEOSA-N 0 0 413.482 1.880 50 5 HDBARN O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12 ZINC000035870450 569063992 /nfs/dbraw/zinc/06/39/92/569063992.db2.gz IZCKFKLJNHKYKP-HKUYNNGSSA-N 0 0 408.462 1.779 50 5 HDBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12)N1CCCC1 ZINC000035894924 569065112 /nfs/dbraw/zinc/06/51/12/569065112.db2.gz GLYFNQKHNNZWMZ-PKOBYXMFSA-N 0 0 408.462 1.875 50 5 HDBARN CCN1C2=C(C(=O)N([C@H](C)C(=O)NC3CC3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035965502 569069213 /nfs/dbraw/zinc/06/92/13/569069213.db2.gz ZEFMECKYXXXQIO-DIFFPNOSSA-N 0 0 413.434 1.444 50 5 HDBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1C[C@H]1CCCO1 ZINC000027053570 569072121 /nfs/dbraw/zinc/07/21/21/569072121.db2.gz WFFQYLLDIYOOGQ-CQSZACIVSA-N 0 0 402.407 1.336 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000036227498 569114060 /nfs/dbraw/zinc/11/40/60/569114060.db2.gz DWIDXQIHDUWEHQ-UHFFFAOYSA-N 0 0 407.423 1.923 50 5 HDBARN CC1CCC(NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007159929 569226013 /nfs/dbraw/zinc/22/60/13/569226013.db2.gz QWDZKXFMIFPOIW-IDQHFDBOSA-N 0 0 411.480 1.414 50 5 HDBARN N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000100583586 569281932 /nfs/dbraw/zinc/28/19/32/569281932.db2.gz YSKGUEJFZJXOGS-HNNXBMFYSA-N 0 0 419.441 1.831 50 5 HDBARN O=C1CN(CCO)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000002150437 569290032 /nfs/dbraw/zinc/29/00/32/569290032.db2.gz RHYKTIDFCSCRPA-GHTZIAJQSA-N 0 0 420.425 1.753 50 5 biogenic HDBARN COc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)ncc1C(=O)NC(C)C ZINC000037523648 569303681 /nfs/dbraw/zinc/30/36/81/569303681.db2.gz GTZGRIBICOAUTA-UHFFFAOYSA-N 0 0 400.439 1.858 50 5 HDBARN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N1CCCC1=O ZINC000013011675 569407338 /nfs/dbraw/zinc/40/73/38/569407338.db2.gz CFAGYABOCUVMFZ-CQSZACIVSA-N 0 0 423.447 1.139 50 5 HDBARN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013039274 569407615 /nfs/dbraw/zinc/40/76/15/569407615.db2.gz LFHINQSWHODWMY-UHFFFAOYSA-N 0 0 419.438 1.366 50 5 HDBARN CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000013132108 569409597 /nfs/dbraw/zinc/40/95/97/569409597.db2.gz VJWQNXLITSMWHP-NSHDSACASA-N 0 0 404.466 1.485 50 5 HDBARN COC[C@](C)(O)CNC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000078947347 569421937 /nfs/dbraw/zinc/42/19/37/569421937.db2.gz DBDJCNPBZOUISN-QGZVFWFLSA-N 0 0 411.436 1.766 50 5 HDBARN CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019858488 569431396 /nfs/dbraw/zinc/43/13/96/569431396.db2.gz JARWUGJIHRBVCI-MRXNPFEDSA-N 0 0 406.464 1.815 50 5 HDBARN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000040115808 571173413 /nfs/dbraw/zinc/17/34/13/571173413.db2.gz PDGWKCMBXPSCKO-GXSJLCMTSA-N 0 0 408.263 1.492 50 5 HDBARN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000040115829 571173530 /nfs/dbraw/zinc/17/35/30/571173530.db2.gz SZEZVBBKKUSWNA-UONOGXRCSA-N 0 0 403.826 1.200 50 5 HDBARN O=C(COC1CCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040140537 571191785 /nfs/dbraw/zinc/19/17/85/571191785.db2.gz HCFOLWWCIYDVPS-UHFFFAOYSA-N 0 0 411.480 1.777 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O ZINC000009127359 571226851 /nfs/dbraw/zinc/22/68/51/571226851.db2.gz MJYDKPPDDIVZKT-UHFFFAOYSA-N 0 0 412.358 1.495 50 5 HDBARN Cn1c2cn(CCO)c(-c3cc([N+](=O)[O-])ccc3Br)c2c(=O)n(C)c1=O ZINC000009164649 571232542 /nfs/dbraw/zinc/23/25/42/571232542.db2.gz NYPBWANHQSTHIB-UHFFFAOYSA-N 0 0 423.223 1.369 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(-n2cnnn2)c1 ZINC000009253924 571243099 /nfs/dbraw/zinc/24/30/99/571243099.db2.gz ANQSQQFQQDEAOR-NSHDSACASA-N 0 0 412.362 1.763 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(-n2cnnn2)c1 ZINC000009253928 571243155 /nfs/dbraw/zinc/24/31/55/571243155.db2.gz ANQSQQFQQDEAOR-LLVKDONJSA-N 0 0 412.362 1.763 50 5 HDBARN C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCc2ccccc21 ZINC000009283257 571244797 /nfs/dbraw/zinc/24/47/97/571244797.db2.gz DCQPAYIMJGUTCC-LBPRGKRZSA-N 0 0 423.381 1.712 50 5 HDBARN CCOC(=O)N1CCN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000009352308 571250558 /nfs/dbraw/zinc/25/05/58/571250558.db2.gz FUSXZPBBINYMTF-UHFFFAOYSA-N 0 0 411.436 1.531 50 5 HDBARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000009508305 571263933 /nfs/dbraw/zinc/26/39/33/571263933.db2.gz ONWSZRGZAJGXBF-UHFFFAOYSA-N 0 0 409.420 1.871 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000009982816 571293539 /nfs/dbraw/zinc/29/35/39/571293539.db2.gz NQWWFJROPVUMKQ-UHFFFAOYSA-N 0 0 400.351 1.453 50 5 HDBARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000010452436 571303174 /nfs/dbraw/zinc/30/31/74/571303174.db2.gz DPYRRJRPNKVYJE-UHFFFAOYSA-N 0 0 422.419 1.301 50 5 HDBARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001065184 132236164 /nfs/dbraw/zinc/23/61/64/132236164.db2.gz CQWDCSLGNDXZLE-UHFFFAOYSA-N 0 0 404.448 1.929 50 5 HDBARN COc1ccccc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000002251026 132250435 /nfs/dbraw/zinc/25/04/35/132250435.db2.gz VEEMNQGYNNZJEE-UHFFFAOYSA-N 0 0 424.413 1.548 50 5 HDBARN O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12 ZINC000008971602 132334330 /nfs/dbraw/zinc/33/43/30/132334330.db2.gz IIWQSFYIIPFJMB-HNAYVOBHSA-N 0 0 400.460 1.902 50 5 HDBARN CS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000009469924 132340331 /nfs/dbraw/zinc/34/03/31/132340331.db2.gz UEHZXDNSZZGVJV-ZDUSSCGKSA-N 0 0 412.468 1.009 50 5 HDBARN Cn1cc(C(=O)NC2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000044811303 527162876 /nfs/dbraw/zinc/16/28/76/527162876.db2.gz MJVIHIGWARFMNF-UHFFFAOYSA-N 0 0 400.439 1.551 50 5 HDBARN Cc1csc2nc(CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc(=O)n12 ZINC000010536755 557258794 /nfs/dbraw/zinc/25/87/94/557258794.db2.gz XRBLMGPWSCLBLA-SFHVURJKSA-N 0 0 413.415 1.940 50 5 HDBARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000004555420 558678728 /nfs/dbraw/zinc/67/87/28/558678728.db2.gz VYAMCIGMUVCVLR-OAHLLOKOSA-N 0 0 411.370 1.514 50 5 HDBARN Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000021839928 558958352 /nfs/dbraw/zinc/95/83/52/558958352.db2.gz XZLMLPVCIMMZLV-ZDUSSCGKSA-N 0 0 413.452 1.048 50 5 HDBARN O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC1=CCCCC1 ZINC000006251607 559115138 /nfs/dbraw/zinc/11/51/38/559115138.db2.gz VVLXAKGRRORIOM-UHFFFAOYSA-N 0 0 415.402 1.741 50 5 HDBARN COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000004939828 559212366 /nfs/dbraw/zinc/21/23/66/559212366.db2.gz KGRPBEOTWPPUIP-AWEZNQCLSA-N 0 0 402.285 1.966 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(N)=O)[C@H]2C1=O ZINC000248102759 559263406 /nfs/dbraw/zinc/26/34/06/559263406.db2.gz KEKUGUJXCCMEHX-XGXHKWSGSA-N 0 0 418.409 1.778 50 5 HDBARN COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(C)c2=N)cc1 ZINC000100754817 559263486 /nfs/dbraw/zinc/26/34/86/559263486.db2.gz OQAIQDGLKUFVLE-UHFFFAOYSA-N 0 0 403.442 1.647 50 5 biogenic HDBARN CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000012401616 560211750 /nfs/dbraw/zinc/21/17/50/560211750.db2.gz PZSOXNOGNYAAIA-CQSZACIVSA-N 0 0 402.359 1.687 50 5 biogenic,in-vitro HDBARN COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000102768613 560825241 /nfs/dbraw/zinc/82/52/41/560825241.db2.gz FYCVBUQHXKODIT-BETUJISGSA-N 0 0 417.374 1.036 50 5 HDBARN COC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000096011338 568684126 /nfs/dbraw/zinc/68/41/26/568684126.db2.gz BJYMBOIGFQWSCP-PPUFBPAQSA-N 0 0 415.468 1.398 50 5 HDBARN Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000021839925 568754572 /nfs/dbraw/zinc/75/45/72/568754572.db2.gz XZLMLPVCIMMZLV-CYBMUJFWSA-N 0 0 413.452 1.048 50 5 HDBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1NC(C)=C[C@@]1(O)C(F)(F)F ZINC000001012156 568762929 /nfs/dbraw/zinc/76/29/29/568762929.db2.gz OMPDVCAPPCFTTH-SNVBAGLBSA-N 0 0 414.138 1.721 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccco3)CC2)cc1 ZINC000001054294 568764243 /nfs/dbraw/zinc/76/42/43/568764243.db2.gz SGDUHYGYHKQUQJ-UHFFFAOYSA-N 0 0 410.477 1.569 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccccc3)CC2)cc1 ZINC000001055337 568765040 /nfs/dbraw/zinc/76/50/40/568765040.db2.gz WAIYJOBKVVGFCF-UHFFFAOYSA-N 0 0 420.516 1.976 50 5 HDBARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000002786565 568808634 /nfs/dbraw/zinc/80/86/34/568808634.db2.gz AHSGPJPOQMTZNX-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN Cc1cc(C)n(CCCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 ZINC000015167794 568818520 /nfs/dbraw/zinc/81/85/20/568818520.db2.gz KSHFEANJXDECTP-UHFFFAOYSA-N 0 0 423.495 1.931 50 5 HDBARN Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000012522736 568842176 /nfs/dbraw/zinc/84/21/76/568842176.db2.gz RDYFCJFSZJBZOD-UHFFFAOYSA-N 0 0 424.866 1.977 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@H]1CCS(=O)(=O)C1 ZINC000012554168 568854972 /nfs/dbraw/zinc/85/49/72/568854972.db2.gz IESINVODAIYFLS-YPMHNXCESA-N 0 0 413.452 1.217 50 5 HDBARN CCC1(CC)NC(=O)N(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000003438272 568903207 /nfs/dbraw/zinc/90/32/07/568903207.db2.gz AAJXZUWNZQQOAP-UHFFFAOYSA-N 0 0 417.378 1.799 50 5 HDBARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000003523609 568912275 /nfs/dbraw/zinc/91/22/75/568912275.db2.gz SDAZWOXADZFJMH-UHFFFAOYSA-N 0 0 419.459 1.815 50 5 HDBARN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000031658839 568928897 /nfs/dbraw/zinc/92/88/97/568928897.db2.gz PTMXWYKHTNQJPB-KRWDZBQOSA-N 0 0 417.403 1.161 50 5 HDBARN C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157458 568946900 /nfs/dbraw/zinc/94/69/00/568946900.db2.gz GKWWSMLMOAPXHH-GSHBDLQKSA-N 0 0 400.387 1.740 50 5 HDBARN CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000012769132 568950161 /nfs/dbraw/zinc/95/01/61/568950161.db2.gz SWDQWWMCJPQBAF-MRXNPFEDSA-N 0 0 405.432 1.465 50 5 HDBARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2NS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000001441657 568968987 /nfs/dbraw/zinc/96/89/87/568968987.db2.gz WZVHZSURVILIIU-MRXNPFEDSA-N 0 0 422.419 1.643 50 5 HDBARN CCOC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000016319995 569031344 /nfs/dbraw/zinc/03/13/44/569031344.db2.gz XDVDOXDZMXQZKJ-UHFFFAOYSA-N 0 0 422.415 1.793 50 5 HDBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12)N1CCCC1 ZINC000035894927 569065137 /nfs/dbraw/zinc/06/51/37/569065137.db2.gz GLYFNQKHNNZWMZ-HKUYNNGSSA-N 0 0 408.462 1.875 50 5 HDBARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000035894430 569065142 /nfs/dbraw/zinc/06/51/42/569065142.db2.gz UDQKQXKXUGWKPG-QUCCMNQESA-N 0 0 402.495 1.965 50 5 HDBARN CC(C)COC[C@@H](O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000036393333 569167899 /nfs/dbraw/zinc/16/78/99/569167899.db2.gz AQYMUQVOPZEESE-AWEZNQCLSA-N 0 0 401.485 1.825 50 5 HDBARN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000239782562 569236786 /nfs/dbraw/zinc/23/67/86/569236786.db2.gz CPEFAVUFKXQQRZ-UHFFFAOYSA-N 0 0 419.459 1.854 50 5 HDBARN Nc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1S(=O)(=O)c1ccc(F)cc1 ZINC000017155683 569275800 /nfs/dbraw/zinc/27/58/00/569275800.db2.gz IGHREUHDXJUBJU-UHFFFAOYSA-N 0 0 406.351 1.969 50 5 HDBARN C[C@@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000253426820 569368331 /nfs/dbraw/zinc/36/83/31/569368331.db2.gz RPFIMLDAWHCJTD-KRWDZBQOSA-N 0 0 404.404 1.209 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000009290156 569392140 /nfs/dbraw/zinc/39/21/40/569392140.db2.gz YRAVSFNNWBLBJK-UHFFFAOYSA-N 0 0 407.433 1.849 50 5 HDBARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000012859279 569404221 /nfs/dbraw/zinc/40/42/21/569404221.db2.gz SMQUSCMMZDEUGJ-ZDUSSCGKSA-N 0 0 422.777 1.951 50 5 HDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000040115827 571173496 /nfs/dbraw/zinc/17/34/96/571173496.db2.gz SZEZVBBKKUSWNA-ZIAGYGMSSA-N 0 0 403.826 1.200 50 5 HDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000008974526 571197497 /nfs/dbraw/zinc/19/74/97/571197497.db2.gz LGKILSCEMDIKSY-TVFCKZIOSA-N 0 0 404.382 1.706 50 5 HDBARN COc1cc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(C)cc1[N+](=O)[O-] ZINC000009283290 571244885 /nfs/dbraw/zinc/24/48/85/571244885.db2.gz BYFKHDBCAKLVOC-UHFFFAOYSA-N 0 0 414.378 1.762 50 5 HDBARN NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 ZINC000009739451 571283243 /nfs/dbraw/zinc/28/32/43/571283243.db2.gz YHCRPUQZAAVSGI-UHFFFAOYSA-N 0 0 420.341 1.512 50 5 HDBARN CCOC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 ZINC000004054006 132270478 /nfs/dbraw/zinc/27/04/78/132270478.db2.gz GSYPMPNKZOJCDP-JKSUJKDBSA-N 0 0 405.407 1.872 50 5 HDBARN CCOC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 ZINC000004054005 132270482 /nfs/dbraw/zinc/27/04/82/132270482.db2.gz GSYPMPNKZOJCDP-HOTGVXAUSA-N 0 0 405.407 1.872 50 5 HDBARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004819268 132289353 /nfs/dbraw/zinc/28/93/53/132289353.db2.gz GMRYIPQNLCQCKX-UHFFFAOYSA-N 0 0 418.475 1.808 50 5 HDBARN Nc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000005660178 132307435 /nfs/dbraw/zinc/30/74/35/132307435.db2.gz PIKBJNBAQGTBOO-UHFFFAOYSA-N 0 0 400.391 1.809 50 5 HDBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000006510168 132311263 /nfs/dbraw/zinc/31/12/63/132311263.db2.gz XUGDRCKIZQTIOI-UHFFFAOYSA-N 0 0 404.448 1.513 50 5 HDBARN COc1cccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000007284960 132323775 /nfs/dbraw/zinc/32/37/75/132323775.db2.gz DRFKNAMLIRXBAS-UHFFFAOYSA-N 0 0 412.402 1.860 50 5 HDBARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007284675 132323792 /nfs/dbraw/zinc/32/37/92/132323792.db2.gz ASELZROGROAUQB-UHFFFAOYSA-N 0 0 409.450 1.931 50 5 HDBARN COCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O ZINC000008974193 132334377 /nfs/dbraw/zinc/33/43/77/132334377.db2.gz CKRMRMHVHBBTKU-DNVCBOLYSA-N 0 0 402.407 1.221 50 5 HDBARN O=C(NCc1ccc(N2CCOCC2)nc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000011153383 132347820 /nfs/dbraw/zinc/34/78/20/132347820.db2.gz FAEYAXFPSGXYEO-UHFFFAOYSA-N 0 0 400.391 1.528 50 5 HDBARN NC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000012528184 132361913 /nfs/dbraw/zinc/36/19/13/132361913.db2.gz CMHLAWXOECVPHJ-UHFFFAOYSA-N 0 0 404.448 1.346 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000016428510 132463864 /nfs/dbraw/zinc/46/38/64/132463864.db2.gz BNECWSHNSYILKS-UHFFFAOYSA-N 0 0 406.420 1.331 50 5 HDBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000018242601 132466130 /nfs/dbraw/zinc/46/61/30/132466130.db2.gz GVANEVILZNOEKO-UHFFFAOYSA-N 0 0 412.377 1.679 50 5 HDBARN CN(C)C(=O)CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000029966330 132496500 /nfs/dbraw/zinc/49/65/00/132496500.db2.gz NXTNCFUAOINGJI-UHFFFAOYSA-N 0 0 405.333 1.732 50 5 HDBARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000031998255 523651453 /nfs/dbraw/zinc/65/14/53/523651453.db2.gz LIMBVKGJKJTGJA-UHFFFAOYSA-N 0 0 406.420 1.145 50 5 HDBARN COc1ccc(C)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000032743568 523810057 /nfs/dbraw/zinc/81/00/57/523810057.db2.gz GAMVWZOMUXGXIA-UHFFFAOYSA-N 0 0 420.491 1.881 50 5 HDBARN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000097412272 557799694 /nfs/dbraw/zinc/79/96/94/557799694.db2.gz JFTBCEAHVDNVEU-BETUJISGSA-N 0 0 421.381 1.781 50 5 HDBARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000097569665 557824511 /nfs/dbraw/zinc/82/45/11/557824511.db2.gz BPJNULDJASFUES-GASCZTMLSA-N 0 0 402.359 1.456 50 5 HDBARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000004323158 557851233 /nfs/dbraw/zinc/85/12/33/557851233.db2.gz MYLXZDAISXHYAU-UHFFFAOYSA-N 0 0 418.475 1.477 50 5 HDBARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000004555419 558678737 /nfs/dbraw/zinc/67/87/37/558678737.db2.gz FBSDMNMAFGTIQY-HNNXBMFYSA-N 0 0 411.370 1.514 50 5 HDBARN CC(=O)N1CCN(C(=O)[C@@H](C)N2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000072308615 558769631 /nfs/dbraw/zinc/76/96/31/558769631.db2.gz IMNAXPSGXWKKKF-OAHLLOKOSA-N 0 0 415.494 1.654 50 5 HDBARN O=c1c2cc3c(ccn(C[C@@H]4CCCO4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000036367151 558799565 /nfs/dbraw/zinc/79/95/65/558799565.db2.gz LLMAAFQWHITZHU-INIZCTEOSA-N 0 0 410.474 1.223 50 5 HDBARN O=c1c2cc3c(ccn(C[C@H]4CCCO4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000036367153 558799661 /nfs/dbraw/zinc/79/96/61/558799661.db2.gz LLMAAFQWHITZHU-MRXNPFEDSA-N 0 0 410.474 1.223 50 5 HDBARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004721892 558925382 /nfs/dbraw/zinc/92/53/82/558925382.db2.gz ZNPVDXMXQFEVPJ-QGZVFWFLSA-N 0 0 415.402 1.450 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023134584 559018073 /nfs/dbraw/zinc/01/80/73/559018073.db2.gz LIPUGNYOTVEADJ-UHFFFAOYSA-N 0 0 401.358 1.261 50 5 HDBARN Cc1ccc(S(=O)(=O)NCCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000024215663 559278886 /nfs/dbraw/zinc/27/88/86/559278886.db2.gz GUQFDERWGVQGFZ-UHFFFAOYSA-N 0 0 403.420 1.302 50 5 HDBARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCNC(=O)C1 ZINC000017818613 560728791 /nfs/dbraw/zinc/72/87/91/560728791.db2.gz FPNNZGMJVRHVMF-UHFFFAOYSA-N 0 0 405.414 1.948 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000018040553 560774255 /nfs/dbraw/zinc/77/42/55/560774255.db2.gz OMBCTFUUQNPNIK-UHFFFAOYSA-N 0 0 412.512 1.930 50 5 HDBARN O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccn4)C[C@@H]32)C(=O)N1 ZINC000018212101 560784652 /nfs/dbraw/zinc/78/46/52/560784652.db2.gz KDOVSKBCUZRSDY-OAHLLOKOSA-N 0 0 422.401 1.638 50 5 HDBARN COc1ccc(CCN2C(=O)C[C@@H](NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000101128307 560788131 /nfs/dbraw/zinc/78/81/31/560788131.db2.gz BFVHIOXEYDXTRG-MRXNPFEDSA-N 0 0 414.418 1.899 50 5 HDBARN CC1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](O)C[C@H]3CO)c([N+](=O)[O-])c2)CC1 ZINC000108143743 560898038 /nfs/dbraw/zinc/89/80/38/560898038.db2.gz ZNDNRYUQUWWGHV-WUCCLRPBSA-N 0 0 413.496 1.384 50 5 HDBARN CC1CCC(NS(=O)(=O)c2ccc(N3C[C@H](O)C[C@H]3CO)c([N+](=O)[O-])c2)CC1 ZINC000108143748 560898068 /nfs/dbraw/zinc/89/80/68/560898068.db2.gz ZNDNRYUQUWWGHV-PFSRBDOWSA-N 0 0 413.496 1.384 50 5 HDBARN O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000655260 568457936 /nfs/dbraw/zinc/45/79/36/568457936.db2.gz KXHGKNXAXJPFOQ-CQSZACIVSA-N 0 0 405.264 1.853 50 5 HDBARN Cn1nc(-c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000019928835 568585662 /nfs/dbraw/zinc/58/56/62/568585662.db2.gz KBXRGOKFLWJQSP-UHFFFAOYSA-N 0 0 409.446 1.623 50 5 HDBARN COc1cccc(NC(=O)c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)c1 ZINC000020389055 568603770 /nfs/dbraw/zinc/60/37/70/568603770.db2.gz QLZRHWRPMUQEOZ-UHFFFAOYSA-N 0 0 400.435 1.970 50 5 HDBARN CNS(=O)(=O)c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000095455198 568616616 /nfs/dbraw/zinc/61/66/16/568616616.db2.gz HFQCDTACNVMHND-LBPRGKRZSA-N 0 0 406.468 1.813 50 5 HDBARN Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000020617835 568636591 /nfs/dbraw/zinc/63/65/91/568636591.db2.gz SFQQRMACGZMLTI-UHFFFAOYSA-N 0 0 413.419 1.829 50 5 HDBARN Cn1c(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nnc1C1CCC1 ZINC000095943759 568662869 /nfs/dbraw/zinc/66/28/69/568662869.db2.gz GJHDXDBAVQNEQO-UHFFFAOYSA-N 0 0 409.424 1.241 50 5 HDBARN CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O ZINC000230038914 568803413 /nfs/dbraw/zinc/80/34/13/568803413.db2.gz XKVUAVZNYHLHFR-HNAYVOBHSA-N 0 0 402.407 1.173 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002751053 568806509 /nfs/dbraw/zinc/80/65/09/568806509.db2.gz YHDCLUNHEPPYDO-XCVCLJGOSA-N 0 0 405.388 1.437 50 5 HDBARN CCn1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C(=O)NCc2ccco2)n1 ZINC000002793824 568809453 /nfs/dbraw/zinc/80/94/53/568809453.db2.gz CIVGSPWQFYJGPD-UHFFFAOYSA-N 0 0 415.410 1.868 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O ZINC000002875677 568813972 /nfs/dbraw/zinc/81/39/72/568813972.db2.gz ILYSSFJFMMTXHY-UHFFFAOYSA-N 0 0 419.459 1.954 50 5 HDBARN CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000015205752 568818636 /nfs/dbraw/zinc/81/86/36/568818636.db2.gz QARDOLFYPIWHPM-CQSZACIVSA-N 0 0 410.496 1.684 50 5 HDBARN CC[C@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCS(=O)(=O)C1 ZINC000012521862 568841734 /nfs/dbraw/zinc/84/17/34/568841734.db2.gz OWOWWEZUEFNCMU-AAEUAGOBSA-N 0 0 413.452 1.148 50 5 HDBARN Cn1c2ccc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)cc2n(C)c1=O ZINC000058115382 568887920 /nfs/dbraw/zinc/88/79/20/568887920.db2.gz QKNBRBJBSAIINN-UHFFFAOYSA-N 0 0 411.374 1.149 50 5 HDBARN CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000012769127 568950159 /nfs/dbraw/zinc/95/01/59/568950159.db2.gz SWDQWWMCJPQBAF-INIZCTEOSA-N 0 0 405.432 1.465 50 5 HDBARN CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000012769123 568950232 /nfs/dbraw/zinc/95/02/32/568950232.db2.gz VBEGKVZKXYCFDA-OAHLLOKOSA-N 0 0 405.432 1.465 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000006073934 568992679 /nfs/dbraw/zinc/99/26/79/568992679.db2.gz VCVRZLCSAQZAAQ-MKXGPGLRSA-N 0 0 420.374 1.873 50 5 HDBARN C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2[C@H](C)O1 ZINC000038558851 569001417 /nfs/dbraw/zinc/00/14/17/569001417.db2.gz VIXMBQCARUTQKT-JRPNMDOOSA-N 0 0 402.407 1.170 50 5 HDBARN COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000008439295 569003053 /nfs/dbraw/zinc/00/30/53/569003053.db2.gz MWJQCSJWRJDWAX-UHFFFAOYSA-N 0 0 417.367 1.096 50 5 HDBARN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000006191400 569031128 /nfs/dbraw/zinc/03/11/28/569031128.db2.gz CFOXOZVGACRWDM-UHFFFAOYSA-N 0 0 420.447 1.210 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000035395497 569034615 /nfs/dbraw/zinc/03/46/15/569034615.db2.gz QTOOVHOFWFFWPO-UHFFFAOYSA-N 0 0 410.477 1.601 50 5 HDBARN CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000089395866 569059217 /nfs/dbraw/zinc/05/92/17/569059217.db2.gz YENKOMVKRHOKKN-UHFFFAOYSA-N 0 0 411.461 1.395 50 5 HDBARN COc1cc(CN2CCC(CS(N)(=O)=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089420843 569060135 /nfs/dbraw/zinc/06/01/35/569060135.db2.gz LACFRVRMVBMYIF-UHFFFAOYSA-N 0 0 409.411 1.705 50 5 HDBARN CC(C)COC[C@H](O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000036393332 569167885 /nfs/dbraw/zinc/16/78/85/569167885.db2.gz AQYMUQVOPZEESE-CQSZACIVSA-N 0 0 401.485 1.825 50 5 HDBARN COc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1[N+](=O)[O-] ZINC000036614827 569206835 /nfs/dbraw/zinc/20/68/35/569206835.db2.gz BHAZSLWCRCPCTM-UHFFFAOYSA-N 0 0 408.387 1.377 50 5 HDBARN CCOc1ccccc1CNC(=O)CS(=O)(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000017088479 569273768 /nfs/dbraw/zinc/27/37/68/569273768.db2.gz LAOWGUSXORPZSS-UHFFFAOYSA-N 0 0 410.452 1.496 50 5 HDBARN COCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccccn1c2=O ZINC000002250154 569282628 /nfs/dbraw/zinc/28/26/28/569282628.db2.gz MYNSGLRSVUMFSX-UHFFFAOYSA-N 0 0 404.430 1.100 50 5 HDBARN C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000241869086 569312936 /nfs/dbraw/zinc/31/29/36/569312936.db2.gz SUHLTYURFCLCCA-DYEKYZERSA-N 0 0 417.418 1.817 50 5 HDBARN CCc1nnc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])o1 ZINC000242292499 569320047 /nfs/dbraw/zinc/32/00/47/569320047.db2.gz YMTBOQVXMYFXKF-UHFFFAOYSA-N 0 0 410.456 1.088 50 5 HDBARN COC(=O)C(C(=O)OC)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000012949813 569405147 /nfs/dbraw/zinc/40/51/47/569405147.db2.gz PFGIZXIQFYFDJU-UHFFFAOYSA-N 0 0 422.415 1.850 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000012994288 569406022 /nfs/dbraw/zinc/40/60/22/569406022.db2.gz HFBUOJZIDPJVCE-UHFFFAOYSA-N 0 0 412.468 1.562 50 5 HDBARN Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1[N+](=O)[O-] ZINC000009119684 571224955 /nfs/dbraw/zinc/22/49/55/571224955.db2.gz XENFKJULRJCXLJ-UHFFFAOYSA-N 0 0 407.452 1.831 50 5 HDBARN Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 ZINC000009285822 571245096 /nfs/dbraw/zinc/24/50/96/571245096.db2.gz LBAFRIRCIYEGME-UHFFFAOYSA-N 0 0 423.495 1.931 50 5 HDBARN CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000009571147 571268927 /nfs/dbraw/zinc/26/89/27/571268927.db2.gz QZTIYDXRJWNBBS-UHFFFAOYSA-N 0 0 404.408 1.448 50 5 HDBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(NS(C)(=O)=O)CC1 ZINC000010043159 571294443 /nfs/dbraw/zinc/29/44/43/571294443.db2.gz XEPCCNCGTSTUAL-SNVBAGLBSA-N 0 0 404.876 1.589 50 5 HDBARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000010188035 571296359 /nfs/dbraw/zinc/29/63/59/571296359.db2.gz ADQAWMRCRUGFBV-UHFFFAOYSA-N 0 0 418.412 1.988 50 5 HDBARN O=C(CSc1nc(=O)n(CCO)c2c1CCC2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010256635 571298638 /nfs/dbraw/zinc/29/86/38/571298638.db2.gz DDQLLUYPVMBZOQ-UHFFFAOYSA-N 0 0 408.411 1.502 50 5 HDBARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000010452634 571303141 /nfs/dbraw/zinc/30/31/41/571303141.db2.gz ZDCMTYZLFOWOIF-UHFFFAOYSA-N 0 0 412.324 1.872 50 5 HDBARN CC(C)CNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009982406 132244301 /nfs/dbraw/zinc/24/43/01/132244301.db2.gz MYMLSNSRCBTUFR-UHFFFAOYSA-N 0 0 408.411 1.070 50 5 HDBARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000006715449 132313608 /nfs/dbraw/zinc/31/36/08/132313608.db2.gz KDNHHIBAWOXFEM-UHFFFAOYSA-N 0 0 404.448 1.929 50 5 HDBARN O=C(C1CC1)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012526781 132361885 /nfs/dbraw/zinc/36/18/85/132361885.db2.gz MFPIITBNVBROME-UHFFFAOYSA-N 0 0 407.370 1.947 50 5 HDBARN Cc1cc(C)n2c(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nnc2n1 ZINC000012591300 132364738 /nfs/dbraw/zinc/36/47/38/132364738.db2.gz XIURIHKFOUWKSV-UHFFFAOYSA-N 0 0 411.422 1.416 50 5 HDBARN CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCC(=O)NC1=O ZINC000225809116 519327091 /nfs/dbraw/zinc/32/70/91/519327091.db2.gz YLUIIQBZUVZECN-VIFPVBQESA-N 0 0 413.228 1.469 50 5 HDBARN COc1cc(CCNC(=O)NC2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000032803002 522329304 /nfs/dbraw/zinc/32/93/04/522329304.db2.gz CWZDBGASMCZZAQ-UHFFFAOYSA-N 0 0 420.466 1.855 50 5 HDBARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032809361 525055208 /nfs/dbraw/zinc/05/52/08/525055208.db2.gz TWKBSIZTNCRKSD-UHFFFAOYSA-N 0 0 405.432 1.861 50 5 HDBARN NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3nsnc32)c([N+](=O)[O-])c1 ZINC000019079384 527318704 /nfs/dbraw/zinc/31/87/04/527318704.db2.gz BDSYHIMXTNWRSF-UHFFFAOYSA-N 0 0 409.405 1.264 50 5 HDBARN O=c1c2ccc3c(=O)n(-c4ccccn4)c(=O)c4ccc(c(=O)n1-c1ccccn1)c2c34 ZINC000000603748 557019018 /nfs/dbraw/zinc/01/90/18/557019018.db2.gz OQQJBNNVJJILSS-UHFFFAOYSA-N 0 0 420.384 1.834 50 5 HDBARN CC(=O)OCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccccn1c2=O ZINC000016741228 558803438 /nfs/dbraw/zinc/80/34/38/558803438.db2.gz YPNLIJOIDDJYEA-UHFFFAOYSA-N 0 0 409.446 1.364 50 5 HDBARN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000023264301 559074224 /nfs/dbraw/zinc/07/42/24/559074224.db2.gz MDAQUECEDGDKHK-JTQLQIEISA-N 0 0 415.358 1.649 50 5 HDBARN O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000014196705 559155428 /nfs/dbraw/zinc/15/54/28/559155428.db2.gz RUGDBUORWLXLAQ-UHFFFAOYSA-N 0 0 415.494 1.114 50 5 HDBARN Cc1nnc(CCCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]1 ZINC000072307470 559157422 /nfs/dbraw/zinc/15/74/22/559157422.db2.gz VAFAAOCKGKVQQT-UHFFFAOYSA-N 0 0 404.246 1.695 50 5 HDBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000005006576 559227538 /nfs/dbraw/zinc/22/75/38/559227538.db2.gz YGMBBYYEPGXQCF-MHWRWJLKSA-N 0 0 410.386 1.697 50 5 HDBARN COc1ccc([C@@H](O)C(=NNC(N)N)c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1 ZINC000005399297 560579331 /nfs/dbraw/zinc/57/93/31/560579331.db2.gz PDLMBQBQNCUTNU-GDBMZVCRSA-N 0 0 413.394 1.015 50 5 HDBARN COC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1)OCO3 ZINC000101035429 560766928 /nfs/dbraw/zinc/76/69/28/560766928.db2.gz LAXCUGXSQOUKEC-MSUUIHNZSA-N 0 0 405.344 1.847 50 5 HDBARN O=C(NCC(F)(F)F)C1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048288022 568434669 /nfs/dbraw/zinc/43/46/69/568434669.db2.gz QWPVCHGEDNDETK-UHFFFAOYSA-N 0 0 402.329 1.851 50 5 HDBARN O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCC2(CC1)NC(=O)NC2=O ZINC000024960697 568500438 /nfs/dbraw/zinc/50/04/38/568500438.db2.gz VXKRJFGEFLFDPN-UHFFFAOYSA-N 0 0 415.450 1.789 50 5 HDBARN NC(=O)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000095415867 568606883 /nfs/dbraw/zinc/60/68/83/568606883.db2.gz GQNNQOALMAICRB-KBPBESRZSA-N 0 0 412.468 1.072 50 5 HDBARN COc1cc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1O ZINC000095467794 568624859 /nfs/dbraw/zinc/62/48/59/568624859.db2.gz CWKXGAAARWNFMP-UHFFFAOYSA-N 0 0 407.448 1.816 50 5 HDBARN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000025112574 568750134 /nfs/dbraw/zinc/75/01/34/568750134.db2.gz LXTMREGYUGXEAJ-UHFFFAOYSA-N 0 0 406.416 1.973 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000000973032 568759342 /nfs/dbraw/zinc/75/93/42/568759342.db2.gz VCVRZLCSAQZAAQ-YRXWBPOGSA-N 0 0 420.374 1.873 50 5 HDBARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000025252139 568761491 /nfs/dbraw/zinc/76/14/91/568761491.db2.gz MBIOTKUGSMWVQV-UHFFFAOYSA-N 0 0 421.479 1.988 50 5 HDBARN O=C(CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000052395473 568764857 /nfs/dbraw/zinc/76/48/57/568764857.db2.gz GCCGBIYEPDLTQE-ZETCQYMHSA-N 0 0 415.777 1.982 50 5 HDBARN COc1ccc(Cn2cc(I)c(=O)[nH]c2=O)cc1[N+](=O)[O-] ZINC000001114188 568770594 /nfs/dbraw/zinc/77/05/94/568770594.db2.gz KCYXRASKZALTQU-UHFFFAOYSA-N 0 0 403.132 1.106 50 5 HDBARN O=C1CCC(=O)N1CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000028081565 568779355 /nfs/dbraw/zinc/77/93/55/568779355.db2.gz PGXJVBHJQPJTDQ-UHFFFAOYSA-N 0 0 400.357 1.885 50 5 HDBARN Cc1c(NC(=O)c2c(NC(=O)CCn3ncc([N+](=O)[O-])c3C)cnn2C)cnn1C ZINC000002805157 568810973 /nfs/dbraw/zinc/81/09/73/568810973.db2.gz BVMDRZXTVGWONI-UHFFFAOYSA-N 0 0 415.414 1.156 50 5 HDBARN CCN1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC3)CC1 ZINC000034789669 568827400 /nfs/dbraw/zinc/82/74/00/568827400.db2.gz LFLFVFPWTSTRJS-UHFFFAOYSA-N 0 0 412.450 1.294 50 5 HDBARN CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cn1 ZINC000012517133 568840637 /nfs/dbraw/zinc/84/06/37/568840637.db2.gz GJRJBRXRZXTAPI-UHFFFAOYSA-N 0 0 407.452 1.820 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(=O)[C@H]1COc2ccccc2O1 ZINC000003311286 568853669 /nfs/dbraw/zinc/85/36/69/568853669.db2.gz FZIBULPIWZMOTR-OAHLLOKOSA-N 0 0 420.761 1.888 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012558783 568856635 /nfs/dbraw/zinc/85/66/35/568856635.db2.gz ARPCXKKKJMZFAH-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(OCCO)nc1 ZINC000058005591 568874709 /nfs/dbraw/zinc/87/47/09/568874709.db2.gz ASYXPRPNXUIMFI-UHFFFAOYSA-N 0 0 424.435 1.125 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000003333668 568882498 /nfs/dbraw/zinc/88/24/98/568882498.db2.gz FSTHPPGADDULEM-UHFFFAOYSA-N 0 0 411.461 1.812 50 5 HDBARN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012659713 568906840 /nfs/dbraw/zinc/90/68/40/568906840.db2.gz HPKKNWRCPQYJSR-LZWOXQAQSA-N 0 0 411.480 1.774 50 5 HDBARN C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000012659715 568906905 /nfs/dbraw/zinc/90/69/05/568906905.db2.gz HPKKNWRCPQYJSR-IIAWOOMASA-N 0 0 411.480 1.774 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCCCCn3cccn3)CC2)c1 ZINC000058305057 568910238 /nfs/dbraw/zinc/91/02/38/568910238.db2.gz SAAGBMCHHRTGER-UHFFFAOYSA-N 0 0 407.496 1.968 50 5 HDBARN COc1ccc(CNC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000003509504 568911009 /nfs/dbraw/zinc/91/10/09/568911009.db2.gz ZAKJJRZLEZAWIA-UHFFFAOYSA-N 0 0 404.375 1.850 50 5 HDBARN CNC(=O)c1ccc(N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000084240637 568944885 /nfs/dbraw/zinc/94/48/85/568944885.db2.gz ZURYVYKZZKVZJO-CQSZACIVSA-N 0 0 407.471 1.600 50 5 HDBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCN2CCOCC2)c1=N ZINC000000788691 569007777 /nfs/dbraw/zinc/00/77/77/569007777.db2.gz KAZKZZWKFPMMDM-UHFFFAOYSA-N 0 0 411.462 1.028 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C[C@@H]2CCCO2)c1=N ZINC000100627348 569009721 /nfs/dbraw/zinc/00/97/21/569009721.db2.gz YLLZLRCJHPYOES-AWEZNQCLSA-N 0 0 411.462 1.074 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012884656 569019447 /nfs/dbraw/zinc/01/94/47/569019447.db2.gz XLGGVPQICBOREX-PWSUYJOCSA-N 0 0 418.855 1.829 50 5 HDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015912532 569020907 /nfs/dbraw/zinc/02/09/07/569020907.db2.gz QRRZVXBKOKYCND-UHFFFAOYSA-N 0 0 423.403 1.768 50 5 HDBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12 ZINC000169677230 569125206 /nfs/dbraw/zinc/12/52/06/569125206.db2.gz AYXVXBYGMHTCII-HKUYNNGSSA-N 0 0 415.494 1.016 50 5 HDBARN C/C(Cl)=C/Cn1c(Sc2c([N+](=O)[O-])ncn2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000010386032 569254382 /nfs/dbraw/zinc/25/43/82/569254382.db2.gz VRUAVNCFCFSCDH-DAXSKMNVSA-N 0 0 411.831 1.359 50 5 HDBARN Cc1nn(CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] ZINC000007780182 569309515 /nfs/dbraw/zinc/30/95/15/569309515.db2.gz OWEHQIUEIVQGAG-MRXNPFEDSA-N 0 0 406.464 1.624 50 5 HDBARN Cc1nc(-c2cccc(NC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n[nH]1 ZINC000253419247 569367674 /nfs/dbraw/zinc/36/76/74/569367674.db2.gz DOKHXQPQGUKXKQ-UHFFFAOYSA-N 0 0 416.419 1.605 50 5 HDBARN CCOC(=O)[C@@H](C)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000079021997 569396364 /nfs/dbraw/zinc/39/63/64/569396364.db2.gz CVKGYDVGLODCTI-ZDUSSCGKSA-N 0 0 414.484 1.142 50 5 HDBARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 ZINC000012428318 569401207 /nfs/dbraw/zinc/40/12/07/569401207.db2.gz JCNABSPACIUOKJ-UHFFFAOYSA-N 0 0 416.438 1.938 50 5 HDBARN C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012796273 569403535 /nfs/dbraw/zinc/40/35/35/569403535.db2.gz NRCCCRBPEJIRMZ-TVQRCGJNSA-N 0 0 419.843 1.542 50 5 HDBARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000008643672 571097735 /nfs/dbraw/zinc/09/77/35/571097735.db2.gz OHMHMXQWYFUDNB-LBPRGKRZSA-N 0 0 423.381 1.712 50 5 HDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000040115802 571173405 /nfs/dbraw/zinc/17/34/05/571173405.db2.gz PDGWKCMBXPSCKO-KOLCDFICSA-N 0 0 408.263 1.492 50 5 HDBARN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000040139086 571188865 /nfs/dbraw/zinc/18/88/65/571188865.db2.gz VIWYSPHQFGNWJU-UHFFFAOYSA-N 0 0 419.872 1.039 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)N1CC(=O)Nc2ccccc21 ZINC000009119622 132228194 /nfs/dbraw/zinc/22/81/94/132228194.db2.gz UFNVRDRWIRZZFU-UHFFFAOYSA-N 0 0 414.374 1.141 50 5 HDBARN CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O ZINC000004622440 132280302 /nfs/dbraw/zinc/28/03/02/132280302.db2.gz XKVUAVZNYHLHFR-BEFAXECRSA-N 0 0 402.407 1.173 50 5 HDBARN Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)ccc2[N+](=O)[O-])n1 ZINC000009971873 132344484 /nfs/dbraw/zinc/34/44/84/132344484.db2.gz YQERTEDYUZGFIF-UHFFFAOYSA-N 0 0 408.484 1.326 50 5 HDBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000012864377 132367912 /nfs/dbraw/zinc/36/79/12/132367912.db2.gz AVLPZSUBLHBVCH-CYBMUJFWSA-N 0 0 410.438 1.864 50 5 HDBARN Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012874845 132368118 /nfs/dbraw/zinc/36/81/18/132368118.db2.gz ACVZXUJQPPFAQY-UHFFFAOYSA-N 0 0 401.814 1.887 50 5 HDBARN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031719148 132498665 /nfs/dbraw/zinc/49/86/65/132498665.db2.gz WUVPJUVFQGVUFH-UHFFFAOYSA-N 0 0 424.461 1.781 50 5 HDBARN COc1cc(CCNC(=O)c2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])cc1OC ZINC000032882013 522335663 /nfs/dbraw/zinc/33/56/63/522335663.db2.gz XPVAZLZWCXGVCY-UHFFFAOYSA-N 0 0 416.434 1.816 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(NCCc3ccccc3O)c([N+](=O)[O-])c2)CC1 ZINC000040149341 523915606 /nfs/dbraw/zinc/91/56/06/523915606.db2.gz KTIWLNFZOPTRLA-UHFFFAOYSA-N 0 0 420.491 1.891 50 5 HDBARN COc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])cc1OC ZINC000011112767 536494468 /nfs/dbraw/zinc/49/44/68/536494468.db2.gz VIFGDSUQYDGKAO-UHFFFAOYSA-N 0 0 402.407 1.774 50 5 HDBARN CCNS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NCC)ccc21 ZINC000000645022 557035022 /nfs/dbraw/zinc/03/50/22/557035022.db2.gz BYGLZJALDLYDEK-UHFFFAOYSA-N 0 0 410.473 1.543 50 5 HDBARN COCCCOC1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000072311769 558794827 /nfs/dbraw/zinc/79/48/27/558794827.db2.gz BZWRWKBRXAIYKU-SFHVURJKSA-N 0 0 405.451 1.772 50 5 HDBARN N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCO ZINC000016732965 558802384 /nfs/dbraw/zinc/80/23/84/558802384.db2.gz NIPKWYKBOYKEFS-UHFFFAOYSA-N 0 0 403.442 1.093 50 5 HDBARN C[C@H]1SC(NC(=O)CCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)=NC1=O ZINC000013839415 558886018 /nfs/dbraw/zinc/88/60/18/558886018.db2.gz BGFMWHSJOBLZGY-SECBINFHSA-N 0 0 404.404 1.495 50 5 HDBARN O=C(Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023105410 559009677 /nfs/dbraw/zinc/00/96/77/559009677.db2.gz SXLRWBDHNBBVNR-UHFFFAOYSA-N 0 0 412.402 1.606 50 5 HDBARN COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccccc2)c1=N ZINC000100928147 559141914 /nfs/dbraw/zinc/14/19/14/559141914.db2.gz YTLBUFVEMDRYHC-UHFFFAOYSA-N 0 0 417.469 1.862 50 5 HDBARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000014287541 559163566 /nfs/dbraw/zinc/16/35/66/559163566.db2.gz LLAUTQIAYCHQRX-UHFFFAOYSA-N 0 0 401.423 1.703 50 5 HDBARN CC(C)CN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000023540307 559176752 /nfs/dbraw/zinc/17/67/52/559176752.db2.gz NFCVIRMABMQORE-OAHLLOKOSA-N 0 0 412.464 1.352 50 5 HDBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3)c(=N)n1CCO)c2=O ZINC000100869976 560760378 /nfs/dbraw/zinc/76/03/78/560760378.db2.gz MKAOGDXUNLLPCZ-UHFFFAOYSA-N 0 0 403.442 1.359 50 5 HDBARN C[C@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000024831157 568469872 /nfs/dbraw/zinc/46/98/72/568469872.db2.gz ZFLMANQQUMSMSS-JTQLQIEISA-N 0 0 423.403 1.419 50 5 HDBARN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000000835132 568501534 /nfs/dbraw/zinc/50/15/34/568501534.db2.gz QFHLHWKCXPEDFV-UHFFFAOYSA-N 0 0 405.432 1.649 50 5 HDBARN O=C(NCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccccc1 ZINC000095511657 568635386 /nfs/dbraw/zinc/63/53/86/568635386.db2.gz KHNSRMGCCVIOHE-UHFFFAOYSA-N 0 0 411.462 1.467 50 5 HDBARN CN(C)c1nc(N2CCOCC2)nc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000034676950 568726132 /nfs/dbraw/zinc/72/61/32/568726132.db2.gz NCTJJTWEWDUBCC-UHFFFAOYSA-N 0 0 412.450 1.486 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000000899507 568740763 /nfs/dbraw/zinc/74/07/63/568740763.db2.gz JMCHVTCVHGJFPB-UHFFFAOYSA-N 0 0 411.461 1.290 50 5 HDBARN O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000000921345 568750556 /nfs/dbraw/zinc/75/05/56/568750556.db2.gz FTLHEDIZQVDTMY-UHFFFAOYSA-N 0 0 414.383 1.839 50 5 HDBARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001130026 568772858 /nfs/dbraw/zinc/77/28/58/568772858.db2.gz HEWPPAQFXWRXIZ-UHFFFAOYSA-N 0 0 419.459 1.957 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000002649414 568795911 /nfs/dbraw/zinc/79/59/11/568795911.db2.gz BHGKUERJFONDQF-UHFFFAOYSA-N 0 0 404.400 1.744 50 5 HDBARN Cc1cc([N+](=O)[O-])nn1CCNC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000002791992 568810152 /nfs/dbraw/zinc/81/01/52/568810152.db2.gz LUNCKLAQBJDESQ-UHFFFAOYSA-N 0 0 416.192 1.092 50 5 HDBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N(CCO)CCO ZINC000002895330 568815142 /nfs/dbraw/zinc/81/51/42/568815142.db2.gz XGTHDYKKEOTCIO-UHFFFAOYSA-N 0 0 423.447 1.131 50 5 HDBARN COC(CN(C)[C@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2)OC ZINC000034853462 568829378 /nfs/dbraw/zinc/82/93/78/568829378.db2.gz SHCHNNIPBNBMGT-SFHVURJKSA-N 0 0 409.439 1.974 50 5 HDBARN COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000012523593 568842274 /nfs/dbraw/zinc/84/22/74/568842274.db2.gz CCUWPEFIHQNVJO-UHFFFAOYSA-N 0 0 405.432 1.892 50 5 HDBARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012531530 568844185 /nfs/dbraw/zinc/84/41/85/568844185.db2.gz BJUJKGYJNCVILZ-GJZGRUSLSA-N 0 0 404.375 1.680 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@@H]1CCS(=O)(=O)C1 ZINC000012554170 568854825 /nfs/dbraw/zinc/85/48/25/568854825.db2.gz IESINVODAIYFLS-WCQYABFASA-N 0 0 413.452 1.217 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000012618622 568872339 /nfs/dbraw/zinc/87/23/39/568872339.db2.gz KSMIYTOMXFFDST-UHFFFAOYSA-N 0 0 413.795 1.691 50 5 HDBARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003298996 568875779 /nfs/dbraw/zinc/87/57/79/568875779.db2.gz ULWPKNYLYRLMPX-HOTGVXAUSA-N 0 0 416.386 1.846 50 5 HDBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003382087 568892664 /nfs/dbraw/zinc/89/26/64/568892664.db2.gz KAMDIOUBHVWLMG-UHFFFAOYSA-N 0 0 405.432 1.507 50 5 HDBARN COC(=O)c1cc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000003490108 568909239 /nfs/dbraw/zinc/90/92/39/568909239.db2.gz ZEMCEWYDNWSNTQ-UHFFFAOYSA-N 0 0 415.358 1.564 50 5 HDBARN Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)n(C)n1 ZINC000225535416 568909495 /nfs/dbraw/zinc/90/94/95/568909495.db2.gz PQSFEELBOOWQAG-UHFFFAOYSA-N 0 0 408.484 1.945 50 5 HDBARN Cc1nn(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c(C)c1[N+](=O)[O-] ZINC000084013813 568933097 /nfs/dbraw/zinc/93/30/97/568933097.db2.gz PLKPNLQTGKCDCV-HNNXBMFYSA-N 0 0 408.411 1.891 50 5 HDBARN CNC(=O)c1ccc(N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000084240640 568944820 /nfs/dbraw/zinc/94/48/20/568944820.db2.gz ZURYVYKZZKVZJO-AWEZNQCLSA-N 0 0 407.471 1.600 50 5 HDBARN COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000012787101 568960382 /nfs/dbraw/zinc/96/03/82/568960382.db2.gz VYQXDMPHRWRNTP-LBPRGKRZSA-N 0 0 415.402 1.982 50 5 HDBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016079843 569028600 /nfs/dbraw/zinc/02/86/00/569028600.db2.gz JIIIWIUZTKRJSO-UHFFFAOYSA-N 0 0 424.413 1.695 50 5 HDBARN CCCc1nnc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)[nH]1 ZINC000012982168 569047257 /nfs/dbraw/zinc/04/72/57/569047257.db2.gz ZDNCJQTYSSJRFA-UHFFFAOYSA-N 0 0 413.481 1.838 50 5 HDBARN CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 ZINC000026711220 569053394 /nfs/dbraw/zinc/05/33/94/569053394.db2.gz CKBXDOTZMQCSRR-UHFFFAOYSA-N 0 0 412.512 1.978 50 5 HDBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H]1CCOC1=O ZINC000006464760 569057868 /nfs/dbraw/zinc/05/78/68/569057868.db2.gz UXKDWXRKAPLQQE-STQMWFEESA-N 0 0 416.839 1.958 50 5 HDBARN O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000035870325 569063918 /nfs/dbraw/zinc/06/39/18/569063918.db2.gz KIBZXMCSPMWZRM-AEFFLSMTSA-N 0 0 410.430 1.970 50 5 HDBARN Cc1nnc(Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1C ZINC000036321615 569136842 /nfs/dbraw/zinc/13/68/42/569136842.db2.gz WVZJJKCFLNHPEO-UHFFFAOYSA-N 0 0 412.497 1.119 50 5 HDBARN O=[N+]([O-])c1ccc(N2CC(Oc3ccccc3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000065622269 569239145 /nfs/dbraw/zinc/23/91/45/569239145.db2.gz VLZKTWJJJBJLRW-UHFFFAOYSA-N 0 0 419.459 1.883 50 5 HDBARN NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)cc1 ZINC000017090123 569273881 /nfs/dbraw/zinc/27/38/81/569273881.db2.gz KIHSJZKEUKONMM-UHFFFAOYSA-N 0 0 414.783 1.734 50 5 HDBARN CCCCn1nnc(N(C(=O)c2ccc([N+](=O)[O-])o2)C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000012860886 569404112 /nfs/dbraw/zinc/40/41/12/569404112.db2.gz GQRRHFUJSLZFQZ-UHFFFAOYSA-N 0 0 419.310 1.963 50 5 HDBARN CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000067286306 571064452 /nfs/dbraw/zinc/06/44/52/571064452.db2.gz URRFGNDBJMIEHV-INIZCTEOSA-N 0 0 406.464 1.815 50 5 HDBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000040012861 571138285 /nfs/dbraw/zinc/13/82/85/571138285.db2.gz WTRWRIMTJGBXQR-INIZCTEOSA-N 0 0 408.436 1.171 50 5 HDBARN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040051277 571145319 /nfs/dbraw/zinc/14/53/19/571145319.db2.gz DPHGPSOWYMSIDY-QGZVFWFLSA-N 0 0 410.430 1.374 50 5 HDBARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2cccnc2[N+](=O)[O-])c1 ZINC000009119840 571224949 /nfs/dbraw/zinc/22/49/49/571224949.db2.gz FBYRCWHBEDDLHT-UHFFFAOYSA-N 0 0 414.827 1.911 50 5 HDBARN Cn1c2nc3n(cc(-c4ccc([N+](=O)[O-])cc4)n3C[C@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000009160218 571232252 /nfs/dbraw/zinc/23/22/52/571232252.db2.gz YYRLXQUWGHHTGD-CQSZACIVSA-N 0 0 424.417 1.441 50 5 HDBARN CCCCn1c2nc(COC(=O)c3ccc([N+](=O)[O-])o3)n(CCC)c2c(=O)[nH]c1=O ZINC000009507495 571263781 /nfs/dbraw/zinc/26/37/81/571263781.db2.gz QVRJWAAURHDVBA-UHFFFAOYSA-N 0 0 419.394 1.955 50 5 HDBARN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000007282825 132323760 /nfs/dbraw/zinc/32/37/60/132323760.db2.gz YBDWJOQWELATHV-UHFFFAOYSA-N 0 0 400.366 1.991 50 5 HDBARN CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(CCc1ccccc1)C2=O ZINC000008970789 132334365 /nfs/dbraw/zinc/33/43/65/132334365.db2.gz GYFDXKORAFEQOT-NRFANRHFSA-N 0 0 408.414 1.895 50 5 HDBARN CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000020281677 522511249 /nfs/dbraw/zinc/51/12/49/522511249.db2.gz LCCGTZAYEGOQJB-UHFFFAOYSA-N 0 0 418.431 1.739 50 5 HDBARN COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N1 ZINC000019788384 522934458 /nfs/dbraw/zinc/93/44/58/522934458.db2.gz NAQXGRLNPLSGNV-MRXNPFEDSA-N 0 0 404.375 1.719 50 5 HDBARN CC(=O)c1cccc(N2CN=c3sc(=Cc4cccc([N+](=O)[O-])c4)c(=O)n3C2)c1 ZINC000001181344 534889549 /nfs/dbraw/zinc/88/95/49/534889549.db2.gz SFYQWLRLKSRQLD-NVMNQCDNSA-N 0 0 408.439 1.904 50 5 HDBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015682804 525933723 /nfs/dbraw/zinc/93/37/23/525933723.db2.gz XARVUVRDAIALQR-OAHLLOKOSA-N 0 0 419.459 1.895 50 5 HDBARN Cc1cn2nc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)sc2n1 ZINC000045723827 525952779 /nfs/dbraw/zinc/95/27/79/525952779.db2.gz RPVJPEYXLWWDHK-UHFFFAOYSA-N 0 0 408.465 1.518 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc(F)c1 ZINC000036386017 526781323 /nfs/dbraw/zinc/78/13/23/526781323.db2.gz ZAYGOIABIPJJAS-UHFFFAOYSA-N 0 0 422.438 1.679 50 5 HDBARN O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000019991033 527187656 /nfs/dbraw/zinc/18/76/56/527187656.db2.gz PFFXMOKABBEAAE-OAQYLSRUSA-N 0 0 411.414 1.692 50 5 HDBARN Cn1ncc2c1ncnc2N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000032904619 527586795 /nfs/dbraw/zinc/58/67/95/527586795.db2.gz IUFGWSFLTLRCAN-UHFFFAOYSA-N 0 0 413.463 1.712 50 5 HDBARN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000097412275 557796490 /nfs/dbraw/zinc/79/64/90/557796490.db2.gz JFTBCEAHVDNVEU-CHWSQXEVSA-N 0 0 421.381 1.781 50 5 HDBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000010810139 558457328 /nfs/dbraw/zinc/45/73/28/558457328.db2.gz OWDXIBGZXGVUFM-GFCCVEGCSA-N 0 0 411.418 1.894 50 5 HDBARN NS(=O)(=O)c1ccc(CCNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000072329409 558864956 /nfs/dbraw/zinc/86/49/56/558864956.db2.gz MSJXPOCJHJCNKM-UHFFFAOYSA-N 0 0 415.431 1.605 50 5 HDBARN CCOc1ccc(NC(=O)C[C@@H]([NH2+]CCCN2CCOCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000022997096 558982452 /nfs/dbraw/zinc/98/24/52/558982452.db2.gz MAVJQEPYOIDNOM-MRXNPFEDSA-N 0 0 424.454 1.087 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C)cc1)S(C)(=O)=O ZINC000004811242 559068765 /nfs/dbraw/zinc/06/87/65/559068765.db2.gz OLWXTSTXMYEDEU-UHFFFAOYSA-N 0 0 407.448 1.994 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000084350417 559147179 /nfs/dbraw/zinc/14/71/79/559147179.db2.gz LMXKAFKSFFQGQO-RYUDHWBXSA-N 0 0 407.354 1.391 50 5 HDBARN O=C(NC[C@H]1CCCO1)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 ZINC000004979814 559222798 /nfs/dbraw/zinc/22/27/98/559222798.db2.gz CVIFNYRJFKKFCG-IAGOWNOFSA-N 0 0 403.435 1.569 50 5 HDBARN Cc1cccc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000005228090 560546294 /nfs/dbraw/zinc/54/62/94/560546294.db2.gz LMNNFIIXVYMASA-AWEZNQCLSA-N 0 0 412.464 1.732 50 5 HDBARN Cc1cccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000005228086 560546311 /nfs/dbraw/zinc/54/63/11/560546311.db2.gz LMNNFIIXVYMASA-CQSZACIVSA-N 0 0 412.464 1.732 50 5 HDBARN COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000003219553 560589746 /nfs/dbraw/zinc/58/97/46/560589746.db2.gz MELYEBQVDJAGQT-UHFFFAOYSA-N 0 0 402.315 1.906 50 5 HDBARN C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000101858860 560803904 /nfs/dbraw/zinc/80/39/04/560803904.db2.gz NHMQUGWTJOIDLJ-JCGIZDLHSA-N 0 0 412.446 1.583 50 5 HDBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000102781739 560827374 /nfs/dbraw/zinc/82/73/74/560827374.db2.gz KFENMZBIMUWUHH-IYBDPMFKSA-N 0 0 402.451 1.389 50 5 HDBARN O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000048310978 568436781 /nfs/dbraw/zinc/43/67/81/568436781.db2.gz CXSLTDJMBVNDJG-MRXNPFEDSA-N 0 0 416.482 1.566 50 5 HDBARN CCOC(=O)C1=C(COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])NC(=O)N[C@H]1C ZINC000024755621 568461299 /nfs/dbraw/zinc/46/12/99/568461299.db2.gz ITEKABPKOYIIRB-VIFPVBQESA-N 0 0 423.378 1.287 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000095545627 568636144 /nfs/dbraw/zinc/63/61/44/568636144.db2.gz AGRZNUDYTXAQTF-ZDUSSCGKSA-N 0 0 402.407 1.981 50 5 HDBARN COc1cc2ncn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC ZINC000024984963 568694377 /nfs/dbraw/zinc/69/43/77/568694377.db2.gz IREHJEYAEHOBJR-CYBMUJFWSA-N 0 0 401.375 1.762 50 5 HDBARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000001055116 568765065 /nfs/dbraw/zinc/76/50/65/568765065.db2.gz HYJGGICGKMUBRM-UHFFFAOYSA-N 0 0 423.422 1.889 50 5 HDBARN O=[N+]([O-])c1c(NCc2ccccc2S(=O)(=O)N2CCOCC2)nc2sccn21 ZINC000022317351 568766093 /nfs/dbraw/zinc/76/60/93/568766093.db2.gz GSZQJLOUBUKHTR-UHFFFAOYSA-N 0 0 423.476 1.937 50 5 HDBARN Cc1cc(NC(=O)COC(=O)CNC(=O)COc2ccccc2)c([N+](=O)[O-])cc1C ZINC000005865408 568826688 /nfs/dbraw/zinc/82/66/88/568826688.db2.gz ABLIWJIJLPMUBY-UHFFFAOYSA-N 0 0 415.402 1.889 50 5 HDBARN O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1CCc1ccccc1 ZINC000005872111 568827412 /nfs/dbraw/zinc/82/74/12/568827412.db2.gz HKVJIYNYFBEWJP-UHFFFAOYSA-N 0 0 403.416 1.197 50 5 HDBARN CNS(=O)(=O)c1ccc(NC[C@]2(N3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625877 568827802 /nfs/dbraw/zinc/82/78/02/568827802.db2.gz LOKDXACHANKBPO-MRXNPFEDSA-N 0 0 416.525 1.123 50 5 HDBARN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1 ZINC000005958296 568832402 /nfs/dbraw/zinc/83/24/02/568832402.db2.gz BRICPBGXKITSKR-MRXNPFEDSA-N 0 0 419.459 1.893 50 5 HDBARN CCOC(=O)N1CCN(C(=O)CSc2ccc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000012487754 568838825 /nfs/dbraw/zinc/83/88/25/568838825.db2.gz ZOKPVXMXYNMTGU-UHFFFAOYSA-N 0 0 411.436 1.774 50 5 HDBARN CC1(C)OC(=O)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)OC(C)(C)OC2=O)C(=O)O1 ZINC000003020390 568840006 /nfs/dbraw/zinc/84/00/06/568840006.db2.gz IDCHXZPNWCYOTM-UHFFFAOYSA-N 0 0 421.358 1.583 50 5 HDBARN CNS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000012557824 568856432 /nfs/dbraw/zinc/85/64/32/568856432.db2.gz SKQICFDODXMPQC-BETUJISGSA-N 0 0 400.501 1.803 50 5 HDBARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003307301 568877554 /nfs/dbraw/zinc/87/75/54/568877554.db2.gz HFPIWLYDAHMHPB-LLVKDONJSA-N 0 0 424.460 1.187 50 5 HDBARN COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC ZINC000015391587 568885210 /nfs/dbraw/zinc/88/52/10/568885210.db2.gz BYYHFXAFRHJVCC-LBPRGKRZSA-N 0 0 421.431 1.696 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000003503494 568910710 /nfs/dbraw/zinc/91/07/10/568910710.db2.gz VHHBQGBDPSYSMN-UHFFFAOYSA-N 0 0 418.427 1.740 50 5 HDBARN CCc1cc2c(ncn(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2=O)s1 ZINC000012852619 569010599 /nfs/dbraw/zinc/01/05/99/569010599.db2.gz KCRNNFXUXJMKLV-UHFFFAOYSA-N 0 0 415.431 1.819 50 5 HDBARN Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)nc12 ZINC000012943301 569028849 /nfs/dbraw/zinc/02/88/49/569028849.db2.gz QOJXXOJYPNQZMK-HXUWFJFHSA-N 0 0 407.386 1.878 50 5 HDBARN CC(C)[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000026302146 569031129 /nfs/dbraw/zinc/03/11/29/569031129.db2.gz ANQGZSIKXAJGSI-LJQANCHMSA-N 0 0 405.499 1.783 50 5 HDBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12 ZINC000035870169 569063947 /nfs/dbraw/zinc/06/39/47/569063947.db2.gz AYXVXBYGMHTCII-IEBWSBKVSA-N 0 0 415.494 1.016 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000036259072 569120322 /nfs/dbraw/zinc/12/03/22/569120322.db2.gz SOBRBTWRZBQLQA-UHFFFAOYSA-N 0 0 404.448 1.540 50 5 HDBARN O=C1CCCN1c1ccc(S(=O)(=O)NCCn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000036614543 569209513 /nfs/dbraw/zinc/20/95/13/569209513.db2.gz YIYMJZIUESYQMA-UHFFFAOYSA-N 0 0 413.843 1.550 50 5 HDBARN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000036790672 569228574 /nfs/dbraw/zinc/22/85/74/569228574.db2.gz FIHUPQQFJGJYFY-HIFRSBDPSA-N 0 0 406.439 1.885 50 5 HDBARN CC(C)Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000010386030 569254409 /nfs/dbraw/zinc/25/44/09/569254409.db2.gz XAZAQHUQCBYJSL-UHFFFAOYSA-N 0 0 417.447 1.963 50 5 HDBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000027370014 569298186 /nfs/dbraw/zinc/29/81/86/569298186.db2.gz GOZUBJRQBGSSHR-QAPCUYQASA-N 0 0 407.471 1.043 50 5 HDBARN COC(=O)COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000009584747 569393615 /nfs/dbraw/zinc/39/36/15/569393615.db2.gz QWKPRZDOBYJBRW-UHFFFAOYSA-N 0 0 413.342 1.381 50 5 HDBARN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000012374532 569400514 /nfs/dbraw/zinc/40/05/14/569400514.db2.gz CXCXJPHFVLOUKJ-UHFFFAOYSA-N 0 0 421.325 1.024 50 5 HDBARN CCCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000013230562 569410322 /nfs/dbraw/zinc/41/03/22/569410322.db2.gz SXBREGGDYKKJBI-UHFFFAOYSA-N 0 0 403.420 1.717 50 5 HDBARN O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008902982 571145236 /nfs/dbraw/zinc/14/52/36/571145236.db2.gz INAAWGMOISVBTC-UHFFFAOYSA-N 0 0 409.337 1.663 50 5 HDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040114878 571172506 /nfs/dbraw/zinc/17/25/06/571172506.db2.gz WOVIPYPBDPCDHD-OLZOCXBDSA-N 0 0 407.370 1.204 50 5 HDBARN O=C(CN1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F ZINC000040115893 571173629 /nfs/dbraw/zinc/17/36/29/571173629.db2.gz CUUNWIMZQAIKKJ-SMDDNHRTSA-N 0 0 400.357 1.453 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C1O ZINC000009312531 571247133 /nfs/dbraw/zinc/24/71/33/571247133.db2.gz VHNIXYXGZOURIT-GDBMZVCRSA-N 0 0 412.314 1.804 50 5 HDBARN CCN1CCN(c2nc(Nc3cc(OC)ccc3OC)nc(N)c2[N+](=O)[O-])CC1 ZINC000017208363 571307545 /nfs/dbraw/zinc/30/75/45/571307545.db2.gz VARLAEDUOASWLB-UHFFFAOYSA-N 0 0 403.443 1.870 50 5 HDBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003445079 132266268 /nfs/dbraw/zinc/26/62/68/132266268.db2.gz ZIORHZXPQKXGQD-UHFFFAOYSA-N 0 0 409.402 1.780 50 5 HDBARN Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2n(C)c1=O ZINC000004625701 132280631 /nfs/dbraw/zinc/28/06/31/132280631.db2.gz DSPASELJBYDIGV-UHFFFAOYSA-N 0 0 413.409 1.887 50 5 HDBARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005827484 132308180 /nfs/dbraw/zinc/30/81/80/132308180.db2.gz JBYCRAOLYVZIPQ-UHFFFAOYSA-N 0 0 409.402 1.359 50 5 HDBARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000008662253 132331954 /nfs/dbraw/zinc/33/19/54/132331954.db2.gz UDAXRCOMNNAKIB-WBVHZDCISA-N 0 0 424.457 1.853 50 5 HDBARN O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12 ZINC000008971604 132334319 /nfs/dbraw/zinc/33/43/19/132334319.db2.gz IIWQSFYIIPFJMB-KXBFYZLASA-N 0 0 400.460 1.902 50 5 HDBARN Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000012562636 132364051 /nfs/dbraw/zinc/36/40/51/132364051.db2.gz VXHZRNXNXURACB-UHFFFAOYSA-N 0 0 407.434 1.906 50 5 HDBARN O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012738717 132366371 /nfs/dbraw/zinc/36/63/71/132366371.db2.gz BUVFGUHVIKGAIY-UHFFFAOYSA-N 0 0 411.397 1.736 50 5 HDBARN C[C@@H](Cn1ccnc1)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000032911825 524963867 /nfs/dbraw/zinc/96/38/67/524963867.db2.gz RTLBOSXKQBHUSC-AWEZNQCLSA-N 0 0 408.484 1.228 50 5 HDBARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009507251 525099468 /nfs/dbraw/zinc/09/94/68/525099468.db2.gz MFILQYMHHMCJCN-UHFFFAOYSA-N 0 0 409.376 1.046 50 5 HDBARN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000032958705 525211349 /nfs/dbraw/zinc/21/13/49/525211349.db2.gz ACSMKPZDAXFGPS-LBPRGKRZSA-N 0 0 418.841 1.505 50 5 HDBARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000241965491 525881156 /nfs/dbraw/zinc/88/11/56/525881156.db2.gz UTHAJJWEHUCCEH-APHBMKBZSA-N 0 0 415.402 1.806 50 5 HDBARN COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccco2)c1=N ZINC000100813231 559141049 /nfs/dbraw/zinc/14/10/49/559141049.db2.gz LDRXKXCNOOIKAI-UHFFFAOYSA-N 0 0 407.430 1.455 50 5 HDBARN N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCCO ZINC000100630574 559246971 /nfs/dbraw/zinc/24/69/71/559246971.db2.gz SVXBLPSMQOFNOW-UHFFFAOYSA-N 0 0 417.469 1.484 50 5 HDBARN Cc1n[nH]cc1CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000024204770 559277404 /nfs/dbraw/zinc/27/74/04/559277404.db2.gz MGXPXUPLWLKAGP-UHFFFAOYSA-N 0 0 409.468 1.692 50 5 HDBARN COCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1ccc(C)cn1c2=O ZINC000100846709 560759860 /nfs/dbraw/zinc/75/98/60/560759860.db2.gz KWOQDOMAWWZWSG-UHFFFAOYSA-N 0 0 424.482 1.916 50 5 HDBARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000100953194 560764585 /nfs/dbraw/zinc/76/45/85/560764585.db2.gz SMQUSCMMZDEUGJ-CYBMUJFWSA-N 0 0 422.777 1.951 50 5 HDBARN CC(=O)N1CCN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000005711032 560828997 /nfs/dbraw/zinc/82/89/97/560828997.db2.gz QMFASDMZCRRTOP-UHFFFAOYSA-N 0 0 418.450 1.433 50 5 HDBARN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000024687174 568456520 /nfs/dbraw/zinc/45/65/20/568456520.db2.gz UWEDNRXFZJJQCE-UHFFFAOYSA-N 0 0 417.509 1.941 50 5 HDBARN COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000651498 568457746 /nfs/dbraw/zinc/45/77/46/568457746.db2.gz FZOFYRLGMSKDQQ-UHFFFAOYSA-N 0 0 410.404 1.980 50 5 HDBARN O=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000024833901 568469903 /nfs/dbraw/zinc/46/99/03/568469903.db2.gz CPDZGWXJKQLREI-UHFFFAOYSA-N 0 0 420.447 1.570 50 5 HDBARN Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000020266388 568596300 /nfs/dbraw/zinc/59/63/00/568596300.db2.gz GESAMZKFYPTQDZ-MRXNPFEDSA-N 0 0 413.482 1.880 50 5 HDBARN COc1ccccc1Nc1nc(NCCCN2CCOCC2)nc(N)c1[N+](=O)[O-] ZINC000020358041 568600496 /nfs/dbraw/zinc/60/04/96/568600496.db2.gz BOGYHZIFXSZBDH-UHFFFAOYSA-N 0 0 403.443 1.853 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 ZINC000095545628 568636142 /nfs/dbraw/zinc/63/61/42/568636142.db2.gz AGRZNUDYTXAQTF-CYBMUJFWSA-N 0 0 402.407 1.981 50 5 HDBARN C[C@@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000021635607 568725486 /nfs/dbraw/zinc/72/54/86/568725486.db2.gz QKOFJFALMDZMEV-ZDUSSCGKSA-N 0 0 406.464 1.964 50 5 HDBARN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000096444316 568752504 /nfs/dbraw/zinc/75/25/04/568752504.db2.gz QGLIIJPGIWVTRK-NSHDSACASA-N 0 0 406.878 1.965 50 5 HDBARN COCCCNC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057355174 568827596 /nfs/dbraw/zinc/82/75/96/568827596.db2.gz MTRQUJFYSGZLCT-UHFFFAOYSA-N 0 0 404.389 1.888 50 5 HDBARN O=C(NCCNC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000034899869 568831852 /nfs/dbraw/zinc/83/18/52/568831852.db2.gz CKOOUMONSQERGT-UHFFFAOYSA-N 0 0 424.457 1.993 50 5 HDBARN CC[C@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012521864 568841731 /nfs/dbraw/zinc/84/17/31/568841731.db2.gz XKFPCXVKYYOTOW-WCQYABFASA-N 0 0 413.452 1.148 50 5 HDBARN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000012626888 568878864 /nfs/dbraw/zinc/87/88/64/568878864.db2.gz WCLXOYLUIVCMER-UHFFFAOYSA-N 0 0 419.459 1.687 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc2c(c1)OCO2 ZINC000015379055 568884372 /nfs/dbraw/zinc/88/43/72/568884372.db2.gz LYHYVCDIYIUFHW-UHFFFAOYSA-N 0 0 421.431 1.957 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000003358571 568887412 /nfs/dbraw/zinc/88/74/12/568887412.db2.gz LEYNGEDUUFUPRM-UHFFFAOYSA-N 0 0 412.420 1.378 50 5 HDBARN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000031720811 568929891 /nfs/dbraw/zinc/92/98/91/568929891.db2.gz CMJKQSJAAGJDQL-KRWDZBQOSA-N 0 0 405.432 1.948 50 5 HDBARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cn1 ZINC000012847763 569010215 /nfs/dbraw/zinc/01/02/15/569010215.db2.gz NZYSEGCCCIJBLW-UHFFFAOYSA-N 0 0 404.448 1.753 50 5 HDBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006144190 569014471 /nfs/dbraw/zinc/01/44/71/569014471.db2.gz WBHNRWGAWTUIPK-UHFFFAOYSA-N 0 0 406.420 1.792 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012884648 569019426 /nfs/dbraw/zinc/01/94/26/569019426.db2.gz XLGGVPQICBOREX-ZYHUDNBSSA-N 0 0 418.855 1.829 50 5 HDBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000012979166 569042662 /nfs/dbraw/zinc/04/26/62/569042662.db2.gz GFBHYFQZALRHTE-CYBMUJFWSA-N 0 0 407.452 1.851 50 5 HDBARN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(Br)c[nH]1 ZINC000058139065 569048334 /nfs/dbraw/zinc/04/83/34/569048334.db2.gz HKPWMGMPNJYRJC-UHFFFAOYSA-N 0 0 417.241 1.394 50 5 HDBARN NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006507569 569061775 /nfs/dbraw/zinc/06/17/75/569061775.db2.gz DTBMCLCDZAHKSX-UHFFFAOYSA-N 0 0 413.839 1.633 50 5 HDBARN CCN1C2=C(C(=O)N(CC(=O)NCC(C)C)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945364 569067041 /nfs/dbraw/zinc/06/70/41/569067041.db2.gz RWHOBEUVBPHEOV-SFHVURJKSA-N 0 0 415.450 1.550 50 5 HDBARN COc1ccc(CCn2ccc3nc4ccn(CCO)c(=O)c4cc3c2=O)cc1OC ZINC000036369991 569153779 /nfs/dbraw/zinc/15/37/79/569153779.db2.gz PIDTYHRLAWVRSE-UHFFFAOYSA-N 0 0 421.453 1.964 50 5 biogenic HDBARN C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])Cn1cccn1 ZINC000036393993 569168411 /nfs/dbraw/zinc/16/84/11/569168411.db2.gz JCSMDNRJBNOFEW-CQSZACIVSA-N 0 0 409.468 1.560 50 5 HDBARN CCOc1nn(CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000036614671 569206731 /nfs/dbraw/zinc/20/67/31/569206731.db2.gz XWLLMINNGOOASX-UHFFFAOYSA-N 0 0 423.451 1.295 50 5 HDBARN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nnc2ccccn21 ZINC000170604984 569244527 /nfs/dbraw/zinc/24/45/27/569244527.db2.gz AXHSEHOUCKEHTQ-SNVBAGLBSA-N 0 0 405.392 1.464 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009882350 569251336 /nfs/dbraw/zinc/25/13/36/569251336.db2.gz IKCRTGFSZWPKOX-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN Cn1c(=O)c2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccnc2n(C)c1=O ZINC000010217046 569253566 /nfs/dbraw/zinc/25/35/66/569253566.db2.gz NXVKHRDQXRIQAI-UHFFFAOYSA-N 0 0 401.404 1.271 50 5 HDBARN Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCCC1 ZINC000016976003 569269995 /nfs/dbraw/zinc/26/99/95/569269995.db2.gz AEZSCZDRNMYUCL-UHFFFAOYSA-N 0 0 408.436 1.912 50 5 HDBARN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000252452868 569286358 /nfs/dbraw/zinc/28/63/58/569286358.db2.gz JLSXQWJQKWRDDR-UHFFFAOYSA-N 0 0 419.397 1.805 50 5 HDBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000007890862 569318628 /nfs/dbraw/zinc/31/86/28/569318628.db2.gz RXUTUHQQBIMFKI-UHFFFAOYSA-N 0 0 419.459 1.648 50 5 HDBARN COc1ccc(CCNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc1OC ZINC000012371317 569400559 /nfs/dbraw/zinc/40/05/59/569400559.db2.gz WAEGKJDGCPGLHI-UHFFFAOYSA-N 0 0 402.367 1.212 50 5 HDBARN Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)NCc2ccccc2)n1C ZINC000012427679 569401205 /nfs/dbraw/zinc/40/12/05/569401205.db2.gz RHZDDFKKAZOHGB-UHFFFAOYSA-N 0 0 401.452 1.685 50 5 HDBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCN1C(=O)c2ccccc2C1=O ZINC000013005986 569406330 /nfs/dbraw/zinc/40/63/30/569406330.db2.gz WAVGCLMTWZWHQU-UHFFFAOYSA-N 0 0 417.761 1.775 50 5 HDBARN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000040024201 571139761 /nfs/dbraw/zinc/13/97/61/571139761.db2.gz QCCHVGALSMWELO-UHFFFAOYSA-N 0 0 424.413 1.924 50 5 HDBARN O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F ZINC000040115887 571173691 /nfs/dbraw/zinc/17/36/91/571173691.db2.gz CUUNWIMZQAIKKJ-RISCZKNCSA-N 0 0 400.357 1.453 50 5 HDBARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000040145000 571194963 /nfs/dbraw/zinc/19/49/63/571194963.db2.gz AEOFNPAAOJUJQJ-LSDHHAIUSA-N 0 0 419.415 1.862 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000008984921 571205645 /nfs/dbraw/zinc/20/56/45/571205645.db2.gz FYRGZMZNWRIVIR-UHFFFAOYSA-N 0 0 424.523 1.516 50 5 HDBARN C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000009053528 571216693 /nfs/dbraw/zinc/21/66/93/571216693.db2.gz NUZPUPBROXSQCW-CYBMUJFWSA-N 0 0 413.452 1.005 50 5 HDBARN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCOCC1 ZINC000009356147 571251106 /nfs/dbraw/zinc/25/11/06/571251106.db2.gz BTVRYSHWOROBJY-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2=O)c1 ZINC000009404000 571255114 /nfs/dbraw/zinc/25/51/14/571255114.db2.gz YKOWEFFXJYNOFZ-UHFFFAOYSA-N 0 0 412.358 1.704 50 5 HDBARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c3=O)cc1 ZINC000009412648 571255985 /nfs/dbraw/zinc/25/59/85/571255985.db2.gz IJLAPCCAFKCYEX-UHFFFAOYSA-N 0 0 419.401 1.892 50 5 HDBARN COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000009509620 571264011 /nfs/dbraw/zinc/26/40/11/571264011.db2.gz DPZNUWJBEMAPOB-UHFFFAOYSA-N 0 0 415.449 1.655 50 5 HDBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009662246 571277745 /nfs/dbraw/zinc/27/77/45/571277745.db2.gz QQOITPZENYHSOW-UHFFFAOYSA-N 0 0 422.419 1.028 50 5 HDBARN COc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c([N+](=O)[O-])c1 ZINC000009982820 571293541 /nfs/dbraw/zinc/29/35/41/571293541.db2.gz QEHSHUVAVSLYNJ-UHFFFAOYSA-N 0 0 400.351 1.453 50 5 HDBARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000010099672 571294928 /nfs/dbraw/zinc/29/49/28/571294928.db2.gz XGHUGUNYJKDVDN-NSHDSACASA-N 0 0 406.420 1.308 50 5 HDBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000005864441 132308281 /nfs/dbraw/zinc/30/82/81/132308281.db2.gz DMMOMIIXLIDHOS-UHFFFAOYSA-N 0 0 418.475 1.821 50 5 HDBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000008745652 132332963 /nfs/dbraw/zinc/33/29/63/132332963.db2.gz PQNMKORSCLANCR-ZDUSSCGKSA-N 0 0 420.495 1.944 50 5 HDBARN CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@H]32)C1=O ZINC000009009578 132334956 /nfs/dbraw/zinc/33/49/56/132334956.db2.gz UCPQMLNEVWWEOG-QMERHICCSA-N 0 0 416.434 1.606 50 5 HDBARN CC(=O)Nc1ccc(-n2ccc3nc4ccn(-c5nc[nH]n5)c(=O)c4cc3c2=O)cc1 ZINC000040372906 519708656 /nfs/dbraw/zinc/70/86/56/519708656.db2.gz JXSVKUUWARQEBW-UHFFFAOYSA-N 0 0 413.397 1.766 50 5 HDBARN COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)n1 ZINC000040398964 523162168 /nfs/dbraw/zinc/16/21/68/523162168.db2.gz QCWUALIHULLNKF-UHFFFAOYSA-N 0 0 400.398 1.954 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000032869634 525473279 /nfs/dbraw/zinc/47/32/79/525473279.db2.gz PHUZBIPWYBTGII-UHFFFAOYSA-N 0 0 401.441 1.845 50 5 HDBARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004412136 558515084 /nfs/dbraw/zinc/51/50/84/558515084.db2.gz FONJSFBCBREAGB-UHFFFAOYSA-N 0 0 413.365 1.541 50 5 HDBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC2(CC1)NC(=O)NC2=O ZINC000057995823 558893580 /nfs/dbraw/zinc/89/35/80/558893580.db2.gz RTOKXSLVLLFGRT-UHFFFAOYSA-N 0 0 404.426 1.355 50 5 HDBARN CCCCNC(=O)CN1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000033220179 558912910 /nfs/dbraw/zinc/91/29/10/558912910.db2.gz UAZYGGYDJNDHQU-UHFFFAOYSA-N 0 0 414.466 1.455 50 5 HDBARN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1NC(C)=O ZINC000022990061 558948159 /nfs/dbraw/zinc/94/81/59/558948159.db2.gz VMZJBVPYVCZLSY-UHFFFAOYSA-N 0 0 424.435 1.767 50 5 HDBARN COC(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc([N+](=O)[O-])c1 ZINC000023077439 558998085 /nfs/dbraw/zinc/99/80/85/558998085.db2.gz ABOPSBLRNVQCDX-UHFFFAOYSA-N 0 0 414.326 1.752 50 5 HDBARN N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1 ZINC000100622890 559137038 /nfs/dbraw/zinc/13/70/38/559137038.db2.gz HVLCDFRPZXBGMB-OAHLLOKOSA-N 0 0 407.474 1.980 50 5 HDBARN COCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100675062 559137732 /nfs/dbraw/zinc/13/77/32/559137732.db2.gz NRVWAZWTPKLMTN-UHFFFAOYSA-N 0 0 424.482 1.998 50 5 HDBARN COCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccc(C)cn1c2=O ZINC000100627916 559245478 /nfs/dbraw/zinc/24/54/78/559245478.db2.gz RVADDPKNYYNLHN-UHFFFAOYSA-N 0 0 418.457 1.408 50 5 HDBARN COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024345695 560628446 /nfs/dbraw/zinc/62/84/46/560628446.db2.gz MDHJVVASGAZKQH-UHFFFAOYSA-N 0 0 411.461 1.954 50 5 HDBARN COCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N ZINC000100907766 560762275 /nfs/dbraw/zinc/76/22/75/560762275.db2.gz VFMMFBJXSHUJLC-UHFFFAOYSA-N 0 0 417.469 1.748 50 5 HDBARN CC(C)CNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2cccnc2)c1=N ZINC000101162777 560787242 /nfs/dbraw/zinc/78/72/42/560787242.db2.gz KMLGTHAYMWXFKP-UHFFFAOYSA-N 0 0 402.458 1.958 50 5 HDBARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024511954 560842674 /nfs/dbraw/zinc/84/26/74/560842674.db2.gz NJWOWWMSZKLHEZ-UHFFFAOYSA-N 0 0 404.448 1.846 50 5 HDBARN CN1CCN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000020357730 568599573 /nfs/dbraw/zinc/59/95/73/568599573.db2.gz HUAGKMFXOKUNNY-UHFFFAOYSA-N 0 0 412.498 1.041 50 5 HDBARN COc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000020358563 568600423 /nfs/dbraw/zinc/60/04/23/568600423.db2.gz FCEQTTAQXASVJZ-UHFFFAOYSA-N 0 0 403.443 1.853 50 5 HDBARN CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc([N+](=O)[O-])cc2-n2cnnn2)c1C ZINC000095401132 568605016 /nfs/dbraw/zinc/60/50/16/568605016.db2.gz HVYNVLCXBSAIIB-UHFFFAOYSA-N 0 0 414.378 1.954 50 5 HDBARN COCCOc1cc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)ccn1 ZINC000096008303 568683523 /nfs/dbraw/zinc/68/35/23/568683523.db2.gz QPUNTAOZUVFGLR-IBGZPJMESA-N 0 0 400.391 1.982 50 5 HDBARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000000899646 568740712 /nfs/dbraw/zinc/74/07/12/568740712.db2.gz JWVDBYIIMFVGMB-UHFFFAOYSA-N 0 0 419.459 1.815 50 5 HDBARN CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000225809131 568781986 /nfs/dbraw/zinc/78/19/86/568781986.db2.gz YLUIIQBZUVZECN-SECBINFHSA-N 0 0 413.228 1.469 50 5 HDBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000002708985 568801808 /nfs/dbraw/zinc/80/18/08/568801808.db2.gz ZUVSBFZTIJIOCR-SFHVURJKSA-N 0 0 419.459 1.843 50 5 HDBARN COc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000002884421 568814106 /nfs/dbraw/zinc/81/41/06/568814106.db2.gz HCBXCHUKUFYEEH-UHFFFAOYSA-N 0 0 410.433 1.378 50 5 HDBARN COC(CN(C)[C@@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2)OC ZINC000034853464 568829382 /nfs/dbraw/zinc/82/93/82/568829382.db2.gz SHCHNNIPBNBMGT-GOSISDBHSA-N 0 0 409.439 1.974 50 5 HDBARN Cc1ccc(S(=O)(=O)Oc2cc3ncc(-n4cc([N+](=O)[O-])cn4)cn3n2)cc1 ZINC000003017156 568838054 /nfs/dbraw/zinc/83/80/54/568838054.db2.gz LOTLFPSAXIJZQV-UHFFFAOYSA-N 0 0 400.376 1.899 50 5 HDBARN CN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000012537925 568846401 /nfs/dbraw/zinc/84/64/01/568846401.db2.gz FJJJWPGSSKNUSU-JTQLQIEISA-N 0 0 401.491 1.942 50 5 HDBARN COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003235390 568865521 /nfs/dbraw/zinc/86/55/21/568865521.db2.gz PXUDZGKHHCZKDB-UHFFFAOYSA-N 0 0 411.392 1.470 50 5 HDBARN Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001393676 568925069 /nfs/dbraw/zinc/92/50/69/568925069.db2.gz GHCRWJJZTZBSET-UHFFFAOYSA-N 0 0 403.416 1.627 50 5 HDBARN Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000012762536 568946884 /nfs/dbraw/zinc/94/68/84/568946884.db2.gz ASOGIADAEHQZSK-UHFFFAOYSA-N 0 0 419.459 1.854 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=O ZINC000012768498 568949863 /nfs/dbraw/zinc/94/98/63/568949863.db2.gz SORHUGMJMTTYIG-SNVBAGLBSA-N 0 0 402.190 1.602 50 5 HDBARN CC(=O)c1cc2c(cc1NC(=O)COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)OCO2 ZINC000012785369 568959890 /nfs/dbraw/zinc/95/98/90/568959890.db2.gz LAIKMINDLZNWCW-UHFFFAOYSA-N 0 0 418.362 1.521 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012884665 569019429 /nfs/dbraw/zinc/01/94/29/569019429.db2.gz XLGGVPQICBOREX-CMPLNLGQSA-N 0 0 418.855 1.829 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000012893559 569020124 /nfs/dbraw/zinc/02/01/24/569020124.db2.gz RXASUQCXDJVDDD-PWSUYJOCSA-N 0 0 418.855 1.829 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000016345891 569031667 /nfs/dbraw/zinc/03/16/67/569031667.db2.gz BXQDPYMQMFYFRW-UHFFFAOYSA-N 0 0 421.504 1.761 50 5 HDBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H]1CCOC1=O ZINC000006464758 569057873 /nfs/dbraw/zinc/05/78/73/569057873.db2.gz UXKDWXRKAPLQQE-QWHCGFSZSA-N 0 0 416.839 1.958 50 5 HDBARN CC(C)CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000006753955 569110773 /nfs/dbraw/zinc/11/07/73/569110773.db2.gz XVAVQEMCYSMREY-INIZCTEOSA-N 0 0 411.480 1.386 50 5 HDBARN CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000036790678 569228576 /nfs/dbraw/zinc/22/85/76/569228576.db2.gz FIHUPQQFJGJYFY-DZGCQCFKSA-N 0 0 406.439 1.885 50 5 HDBARN Cc1nn(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] ZINC000007780183 569309545 /nfs/dbraw/zinc/30/95/45/569309545.db2.gz OWEHQIUEIVQGAG-INIZCTEOSA-N 0 0 406.464 1.624 50 5 HDBARN CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1cc(OC)c2c(c1OC)OCO2 ZINC000066088510 569314454 /nfs/dbraw/zinc/31/44/54/569314454.db2.gz DCFKOKJNBHNPCE-NSHDSACASA-N 0 0 413.379 1.535 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055345586 569403755 /nfs/dbraw/zinc/40/37/55/569403755.db2.gz XOWCSEIILANJQM-UHFFFAOYSA-N 0 0 419.463 1.003 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012985833 569405868 /nfs/dbraw/zinc/40/58/68/569405868.db2.gz KUPOZSYLUWTOTK-CMPLNLGQSA-N 0 0 418.855 1.829 50 5 HDBARN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N1CCCC1=O ZINC000013011676 569407276 /nfs/dbraw/zinc/40/72/76/569407276.db2.gz CFAGYABOCUVMFZ-AWEZNQCLSA-N 0 0 423.447 1.139 50 5 HDBARN O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000040061809 571147438 /nfs/dbraw/zinc/14/74/38/571147438.db2.gz BONAZDGUUUEZFP-UHFFFAOYSA-N 0 0 418.859 1.007 50 5 HDBARN O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000040151543 571199605 /nfs/dbraw/zinc/19/96/05/571199605.db2.gz ONIBSYPHOGSFBP-UHFFFAOYSA-N 0 0 400.432 1.646 50 5 HDBARN Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009056817 571216905 /nfs/dbraw/zinc/21/69/05/571216905.db2.gz AVCWXMLWMICDGF-UHFFFAOYSA-N 0 0 404.379 1.845 50 5 HDBARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009201036 571236364 /nfs/dbraw/zinc/23/63/64/571236364.db2.gz UTHAJJWEHUCCEH-VBNZEHGJSA-N 0 0 415.402 1.806 50 5 HDBARN CN(C)S(=O)(=O)c1cccc(NC(=S)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000009539574 571267244 /nfs/dbraw/zinc/26/72/44/571267244.db2.gz JYNYDDIKSUWQSV-INIZCTEOSA-N 0 0 424.504 1.865 50 5 HDBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)OCCn3c(C)ncc3[N+](=O)[O-])c(=O)oc21 ZINC000010271994 571298837 /nfs/dbraw/zinc/29/88/37/571298837.db2.gz FDLSVLZLGGDBRA-UHFFFAOYSA-N 0 0 418.318 1.980 50 5 HDBARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000004659732 132281052 /nfs/dbraw/zinc/28/10/52/132281052.db2.gz VSQVTXVFKVQVPB-ZBFHGGJFSA-N 0 0 412.446 1.756 50 5 HDBARN O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1cccs1 ZINC000004839338 132290238 /nfs/dbraw/zinc/29/02/38/132290238.db2.gz OKKYDWMNTRLGIZ-UHFFFAOYSA-N 0 0 405.432 1.966 50 5 HDBARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000005388564 132305586 /nfs/dbraw/zinc/30/55/86/132305586.db2.gz LUEVAJCHQNPJLC-UHFFFAOYSA-N 0 0 404.448 1.929 50 5 HDBARN O=C(OCn1nnc2ccccc2c1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008687994 132332163 /nfs/dbraw/zinc/33/21/63/132332163.db2.gz DLZPUDJBGXLEHN-UHFFFAOYSA-N 0 0 411.374 1.351 50 5 HDBARN CN(C)c1ccc(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000032958773 522241982 /nfs/dbraw/zinc/24/19/82/522241982.db2.gz ZCBANCJQRLYSLA-UHFFFAOYSA-N 0 0 410.496 1.946 50 5 HDBARN C[C@]1(c2ccccn2)NC(=O)N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000032913346 525333556 /nfs/dbraw/zinc/33/35/56/525333556.db2.gz WZQXHMMVQLMORU-HXUWFJFHSA-N 0 0 410.434 1.537 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000032818925 526087613 /nfs/dbraw/zinc/08/76/13/526087613.db2.gz SWURQZKPEXKOCW-KRWDZBQOSA-N 0 0 404.404 1.759 50 5 HDBARN O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000024760750 527416297 /nfs/dbraw/zinc/41/62/97/527416297.db2.gz XBXIGLHECXYYCM-UHFFFAOYSA-N 0 0 419.385 1.774 50 5 HDBARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000010834155 558478117 /nfs/dbraw/zinc/47/81/17/558478117.db2.gz ZZZBTYADSDRNLQ-CYBMUJFWSA-N 0 0 411.411 1.955 50 5 HDBARN O=C(c1n[nH]c2ccccc21)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015928337 558762603 /nfs/dbraw/zinc/76/26/03/558762603.db2.gz HHDOUGKUQUVMOD-UHFFFAOYSA-N 0 0 415.431 1.618 50 5 HDBARN O=c1c2cc3c(ccn(Cc4ccccn4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000036125599 558797945 /nfs/dbraw/zinc/79/79/45/558797945.db2.gz PTQKYZJINMLCGR-UHFFFAOYSA-N 0 0 417.469 1.487 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000013896671 558891194 /nfs/dbraw/zinc/89/11/94/558891194.db2.gz FTIVPUQTAZIGPK-UHFFFAOYSA-N 0 0 423.403 1.737 50 5 HDBARN NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccc(F)cc4c(=O)c3c2)C1 ZINC000585140086 559051451 /nfs/dbraw/zinc/05/14/51/559051451.db2.gz BEPVLDOIWBULST-ZDUSSCGKSA-N 0 0 403.435 1.714 50 5 HDBARN NC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000100091156 559136868 /nfs/dbraw/zinc/13/68/68/559136868.db2.gz UHIABZHZENIMJB-GASCZTMLSA-N 0 0 400.435 1.976 50 5 HDBARN N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000100642231 559137248 /nfs/dbraw/zinc/13/72/48/559137248.db2.gz GGYAXPJADJBMLE-GJZGRUSLSA-N 0 0 423.473 1.216 50 5 HDBARN O=C1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1ccc2c(c1)OCCO2 ZINC000011665582 559144024 /nfs/dbraw/zinc/14/40/24/559144024.db2.gz BKKVROLJMBRYRV-GFCCVEGCSA-N 0 0 419.415 1.450 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000084350410 559147183 /nfs/dbraw/zinc/14/71/83/559147183.db2.gz LMXKAFKSFFQGQO-TXEJJXNPSA-N 0 0 407.354 1.391 50 5 HDBARN CC(C)(C)OC[C@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000023486315 559176351 /nfs/dbraw/zinc/17/63/51/559176351.db2.gz YDUFNBWMPWYOLK-OAHLLOKOSA-N 0 0 401.485 1.077 50 5 HDBARN CC(C)CN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000023540311 559176760 /nfs/dbraw/zinc/17/67/60/559176760.db2.gz NFCVIRMABMQORE-HNNXBMFYSA-N 0 0 412.464 1.352 50 5 HDBARN Cc1cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000005635703 560635509 /nfs/dbraw/zinc/63/55/09/560635509.db2.gz RAEZWRKFOLWWIV-HNNXBMFYSA-N 0 0 412.464 1.732 50 5 HDBARN CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCCn2ccnc2)c1=N ZINC000100848212 560759862 /nfs/dbraw/zinc/75/98/62/560759862.db2.gz ODIQXCYRWMRQNK-UHFFFAOYSA-N 0 0 405.462 1.474 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C1O ZINC000101038256 560767094 /nfs/dbraw/zinc/76/70/94/560767094.db2.gz VHNIXYXGZOURIT-ZBFHGGJFSA-N 0 0 412.314 1.804 50 5 HDBARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102592286 560817546 /nfs/dbraw/zinc/81/75/46/560817546.db2.gz ZIURPXKVOFZGSJ-OKILXGFUSA-N 0 0 403.391 1.560 50 5 HDBARN CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@H]32)C1=O ZINC000102770890 560825262 /nfs/dbraw/zinc/82/52/62/560825262.db2.gz UCPQMLNEVWWEOG-QXQQKJPISA-N 0 0 416.434 1.606 50 5 HDBARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000024453462 560829645 /nfs/dbraw/zinc/82/96/45/560829645.db2.gz XTRCQUYPZIIVIT-UHFFFAOYSA-N 0 0 420.447 1.733 50 5 HDBARN O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000104914904 560856621 /nfs/dbraw/zinc/85/66/21/560856621.db2.gz KIBZXMCSPMWZRM-FUHWJXTLSA-N 0 0 410.430 1.970 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000014916285 568455192 /nfs/dbraw/zinc/45/51/92/568455192.db2.gz NPOGKEJZABXBQD-HNNXBMFYSA-N 0 0 412.512 1.370 50 5 HDBARN CC(=O)Oc1ccc2nc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)oc(=O)c2c1 ZINC000000692527 568461853 /nfs/dbraw/zinc/46/18/53/568461853.db2.gz RGGSQGDMHONFHH-UHFFFAOYSA-N 0 0 409.310 1.818 50 5 HDBARN CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000021630101 568724607 /nfs/dbraw/zinc/72/46/07/568724607.db2.gz WJVPZYWJDZZIAE-GOSISDBHSA-N 0 0 412.464 1.743 50 5 HDBARN CC(C)(C)c1ccc(C(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000021630094 568724616 /nfs/dbraw/zinc/72/46/16/568724616.db2.gz WJVPZYWJDZZIAE-SFHVURJKSA-N 0 0 412.464 1.743 50 5 HDBARN Cc1nn(CC(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000025124037 568750597 /nfs/dbraw/zinc/75/05/97/568750597.db2.gz LEAOFHDBFMRCRZ-UHFFFAOYSA-N 0 0 409.468 1.120 50 5 HDBARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000022061463 568764568 /nfs/dbraw/zinc/76/45/68/568764568.db2.gz RYOJHRLNSNIXAS-QGZVFWFLSA-N 0 0 421.475 1.730 50 5 HDBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000028506965 568785397 /nfs/dbraw/zinc/78/53/97/568785397.db2.gz KWRAAMDEQBSJLC-MRXNPFEDSA-N 0 0 404.467 1.884 50 5 HDBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000028506967 568785444 /nfs/dbraw/zinc/78/54/44/568785444.db2.gz KWRAAMDEQBSJLC-INIZCTEOSA-N 0 0 404.467 1.884 50 5 HDBARN Cc1c(C(=O)N(C)C)sc2ncn3nc(CCn4cc([N+](=O)[O-])cn4)nc3c12 ZINC000002791544 568809896 /nfs/dbraw/zinc/80/98/96/568809896.db2.gz HJDLLTYRPDRKDZ-UHFFFAOYSA-N 0 0 400.424 1.697 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000002803337 568810927 /nfs/dbraw/zinc/81/09/27/568810927.db2.gz GTUIOJXVITVVDA-UHFFFAOYSA-N 0 0 417.490 1.352 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2n[nH]c(C(=O)NCc3ccccn3)c2C1 ZINC000034831388 568828788 /nfs/dbraw/zinc/82/87/88/568828788.db2.gz DVMJXEDMMNKKKJ-UHFFFAOYSA-N 0 0 420.429 1.770 50 5 HDBARN C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000034858952 568829384 /nfs/dbraw/zinc/82/93/84/568829384.db2.gz QERAHHFFANCXIY-CQSZACIVSA-N 0 0 410.496 1.348 50 5 HDBARN CC[C@@H](C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000012521859 568841643 /nfs/dbraw/zinc/84/16/43/568841643.db2.gz OWOWWEZUEFNCMU-DGCLKSJQSA-N 0 0 413.452 1.148 50 5 HDBARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000003073092 568853671 /nfs/dbraw/zinc/85/36/71/568853671.db2.gz BRGDXMYGFFVXGJ-UHFFFAOYSA-N 0 0 411.461 1.556 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003373456 568857674 /nfs/dbraw/zinc/85/76/74/568857674.db2.gz WHJKAYLECAWDDG-UHFFFAOYSA-N 0 0 413.795 1.691 50 5 HDBARN COc1cc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)cc1[N+](=O)[O-] ZINC000058123677 568888495 /nfs/dbraw/zinc/88/84/95/568888495.db2.gz VSUSBRJVEPYGRX-UHFFFAOYSA-N 0 0 402.407 1.901 50 5 HDBARN Cc1cc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000003583359 568916887 /nfs/dbraw/zinc/91/68/87/568916887.db2.gz CDFKSDVQQMRKMB-UHFFFAOYSA-N 0 0 414.443 1.810 50 5 HDBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(N)=O ZINC000035087262 568990988 /nfs/dbraw/zinc/99/09/88/568990988.db2.gz AEDRUXHQYQPUDY-RDGPPVDQSA-N 0 0 418.409 1.904 50 5 HDBARN COCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1c(C)cccn1c2=O ZINC000100633100 569009747 /nfs/dbraw/zinc/00/97/47/569009747.db2.gz IPXLONAHDFHLLB-UHFFFAOYSA-N 0 0 424.482 1.916 50 5 HDBARN O=C(c1n[nH]c2ccccc21)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000015928831 569022924 /nfs/dbraw/zinc/02/29/24/569022924.db2.gz BZRLXYQBXMQZSP-UHFFFAOYSA-N 0 0 415.431 1.618 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000016044196 569028121 /nfs/dbraw/zinc/02/81/21/569028121.db2.gz IRZYEYQDZKOFAG-UHFFFAOYSA-N 0 0 422.438 1.679 50 5 HDBARN O=C1COc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)cc2N1 ZINC000026540630 569032969 /nfs/dbraw/zinc/03/29/69/569032969.db2.gz CFKONYZAUQBZRB-UHFFFAOYSA-N 0 0 408.392 1.131 50 5 HDBARN CCN1C2=C(C(=O)N(CC(=O)N3CCCC3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945367 569067035 /nfs/dbraw/zinc/06/70/35/569067035.db2.gz MNIZEUTZVMWCGJ-GOSISDBHSA-N 0 0 413.434 1.400 50 5 HDBARN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000240912277 569300306 /nfs/dbraw/zinc/30/03/06/569300306.db2.gz IXCJXXULVUITFR-DGCLKSJQSA-N 0 0 400.453 1.784 50 5 HDBARN CCCNC(=O)c1cnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1OC ZINC000037522837 569303211 /nfs/dbraw/zinc/30/32/11/569303211.db2.gz CDPMKBFXSVGTNX-UHFFFAOYSA-N 0 0 400.439 1.860 50 5 HDBARN CCn1cc(NC(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)c(C(N)=O)n1 ZINC000253421775 569367975 /nfs/dbraw/zinc/36/79/75/569367975.db2.gz VGVZPOKWLFKMBZ-UHFFFAOYSA-N 0 0 402.367 1.237 50 5 HDBARN C[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012996099 569406002 /nfs/dbraw/zinc/40/60/02/569406002.db2.gz MIQZZZUSWDELKT-KOZAUXTDSA-N 0 0 415.402 1.805 50 5 HDBARN COc1ccc(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c([N+](=O)[O-])c1 ZINC000013150028 569410161 /nfs/dbraw/zinc/41/01/61/569410161.db2.gz IXHUUVYQKPHXNJ-UHFFFAOYSA-N 0 0 412.358 1.564 50 5 HDBARN COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)C=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019314772 569416210 /nfs/dbraw/zinc/41/62/10/569416210.db2.gz MTITWMNOQGJZBI-SFHVURJKSA-N 0 0 417.418 1.634 50 5 HDBARN CN1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1 ZINC000019812508 569430565 /nfs/dbraw/zinc/43/05/65/569430565.db2.gz JQNXREKAPVDGPB-UHFFFAOYSA-N 0 0 418.475 1.564 50 5 HDBARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000008643669 571097848 /nfs/dbraw/zinc/09/78/48/571097848.db2.gz OHMHMXQWYFUDNB-GFCCVEGCSA-N 0 0 423.381 1.712 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000008850783 571126885 /nfs/dbraw/zinc/12/68/85/571126885.db2.gz UWZSQEJSFNNEGX-PCJJGOFDSA-N 0 0 423.447 1.928 50 5 HDBARN O=C(NCc1cccnc1N1CCOCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000040105431 571166151 /nfs/dbraw/zinc/16/61/51/571166151.db2.gz BCISMAQBUHXGJO-UHFFFAOYSA-N 0 0 408.418 1.942 50 5 HDBARN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000040114880 571172479 /nfs/dbraw/zinc/17/24/79/571172479.db2.gz WOVIPYPBDPCDHD-STQMWFEESA-N 0 0 407.370 1.204 50 5 HDBARN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@H]2C1 ZINC000245255676 571220859 /nfs/dbraw/zinc/22/08/59/571220859.db2.gz KLLYTEPSLGRWKC-XHDPSFHLSA-N 0 0 402.476 1.958 50 5 HDBARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000009285808 571245105 /nfs/dbraw/zinc/24/51/05/571245105.db2.gz INIPUOSIPJSZFK-UHFFFAOYSA-N 0 0 410.408 1.314 50 5 HDBARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000009508255 571263792 /nfs/dbraw/zinc/26/37/92/571263792.db2.gz NCBXGXQOOZXDNN-UHFFFAOYSA-N 0 0 424.410 1.952 50 5 HDBARN CCOC(=O)c1c2n(c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3c1=O)CCC2 ZINC000022779636 132475892 /nfs/dbraw/zinc/47/58/92/132475892.db2.gz WPZXNHDGZQWDPF-UHFFFAOYSA-N 0 0 400.435 1.784 50 5 HDBARN CN1N=C(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1=O ZINC000021918840 517953101 /nfs/dbraw/zinc/95/31/01/517953101.db2.gz ZKUFETYOAZGYAH-UHFFFAOYSA-N 0 0 413.356 1.870 50 5 HDBARN COc1cc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC ZINC000032430760 522120488 /nfs/dbraw/zinc/12/04/88/522120488.db2.gz MTNDEQCKLWVPPU-AVGNSLFASA-N 0 0 411.455 1.848 50 5 HDBARN CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O ZINC000004710243 534664945 /nfs/dbraw/zinc/66/49/45/534664945.db2.gz IXLMWYVEYGQIQX-AUUYWEPGSA-N 0 0 402.407 1.219 50 5 HDBARN COc1ccc(S(=O)(=O)NCCNc2ncnc3sccc32)cc1[N+](=O)[O-] ZINC000032927551 525058789 /nfs/dbraw/zinc/05/87/89/525058789.db2.gz AUYJSNYJEATAIO-UHFFFAOYSA-N 0 0 409.449 1.999 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(N)=O)N1c3ccccc3C=C[C@@H]21 ZINC000248102756 526075486 /nfs/dbraw/zinc/07/54/86/526075486.db2.gz KEKUGUJXCCMEHX-DSLXNQLJSA-N 0 0 418.409 1.778 50 5 HDBARN O=C(NCc1cccnc1N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041525654 526770972 /nfs/dbraw/zinc/77/09/72/526770972.db2.gz OQELJLZVCPGCQZ-UHFFFAOYSA-N 0 0 419.825 1.735 50 5 HDBARN O=c1cc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)nc2ccccn12 ZINC000032831857 527481259 /nfs/dbraw/zinc/48/12/59/527481259.db2.gz QUPLURXRMRNQFW-UHFFFAOYSA-N 0 0 415.369 1.547 50 5 HDBARN Cc1ccc(S(=O)(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1[N+](=O)[O-] ZINC000004716043 558915499 /nfs/dbraw/zinc/91/54/99/558915499.db2.gz NLFGSGQTVIFLFC-UHFFFAOYSA-N 0 0 417.443 1.505 50 5 HDBARN COc1cccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 ZINC000023108057 559010850 /nfs/dbraw/zinc/01/08/50/559010850.db2.gz WMRCKZCDGSSFCS-IBGZPJMESA-N 0 0 421.475 1.955 50 5 HDBARN CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000023141752 559020343 /nfs/dbraw/zinc/02/03/43/559020343.db2.gz LKBHWTRYHVROKE-UHFFFAOYSA-N 0 0 422.492 1.247 50 5 HDBARN O=C1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1ccc2c(c1)OCCO2 ZINC000011665583 559144005 /nfs/dbraw/zinc/14/40/05/559144005.db2.gz BKKVROLJMBRYRV-LBPRGKRZSA-N 0 0 419.415 1.450 50 5 HDBARN CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000011689630 559177743 /nfs/dbraw/zinc/17/77/43/559177743.db2.gz AYALXUABKYKCAY-UHFFFAOYSA-N 0 0 405.388 1.636 50 5 HDBARN COCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000004851493 559190901 /nfs/dbraw/zinc/19/09/01/559190901.db2.gz UQDGTGQHAOWEJN-UHFFFAOYSA-N 0 0 407.448 1.943 50 5 HDBARN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000408516182 559212740 /nfs/dbraw/zinc/21/27/40/559212740.db2.gz VYIPNPKALCSMBO-UHFFFAOYSA-N 0 0 418.431 1.695 50 5 HDBARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100535248 559219999 /nfs/dbraw/zinc/21/99/99/559219999.db2.gz XIVLDVZEKXJNAG-VXGBXAGGSA-N 0 0 406.778 1.925 50 5 HDBARN CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(OC)cc2)c1=N ZINC000100810419 559268739 /nfs/dbraw/zinc/26/87/39/559268739.db2.gz LBNLSNKPUMDYHG-UHFFFAOYSA-N 0 0 403.442 1.854 50 5 HDBARN O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102129920 560808046 /nfs/dbraw/zinc/80/80/46/560808046.db2.gz RJAOONCIKVTNNM-GASCZTMLSA-N 0 0 401.375 1.418 50 5 HDBARN O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048306347 568436214 /nfs/dbraw/zinc/43/62/14/568436214.db2.gz NIBGOMBWKHXQNC-UHFFFAOYSA-N 0 0 408.418 1.439 50 5 HDBARN O=C(c1ccco1)N1CCN(c2cc(NCCO)c([N+](=O)[O-])c3nonc32)CC1 ZINC000020108062 568588463 /nfs/dbraw/zinc/58/84/63/568588463.db2.gz INOIJFZQSBMWTK-UHFFFAOYSA-N 0 0 402.367 1.091 50 5 HDBARN CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3c3ncc[nH]3)c([N+](=O)[O-])c2)CC1 ZINC000095467589 568624802 /nfs/dbraw/zinc/62/48/02/568624802.db2.gz KLHYDJRQJVLUNV-INIZCTEOSA-N 0 0 420.495 1.596 50 5 HDBARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC000002764296 568807576 /nfs/dbraw/zinc/80/75/76/568807576.db2.gz DHRZPFGQGKWVCN-UHFFFAOYSA-N 0 0 415.431 1.417 50 5 HDBARN Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)cc1[N+](=O)[O-] ZINC000002778439 568807820 /nfs/dbraw/zinc/80/78/20/568807820.db2.gz LDQATOWMXFWUKD-UHFFFAOYSA-N 0 0 402.436 1.829 50 5 HDBARN NC(=O)c1ccc(SCC(=O)OCC(=O)NCc2cccs2)c([N+](=O)[O-])c1 ZINC000028805568 568808397 /nfs/dbraw/zinc/80/83/97/568808397.db2.gz FBIMVSMLQJOWSG-UHFFFAOYSA-N 0 0 409.445 1.707 50 5 HDBARN O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000002786785 568808533 /nfs/dbraw/zinc/80/85/33/568808533.db2.gz ANSXETODJRKQJK-UHFFFAOYSA-N 0 0 405.432 1.507 50 5 HDBARN COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000028827702 568809339 /nfs/dbraw/zinc/80/93/39/568809339.db2.gz FDPISMFWJSTROM-UHFFFAOYSA-N 0 0 401.375 1.824 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002842864 568812942 /nfs/dbraw/zinc/81/29/42/568812942.db2.gz JJCQQJFPIDFRJN-UHFFFAOYSA-N 0 0 410.433 1.134 50 5 HDBARN COc1ccc(C(=O)NCC(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000002850714 568813030 /nfs/dbraw/zinc/81/30/30/568813030.db2.gz PCWJOEQHHPKNJY-UHFFFAOYSA-N 0 0 401.375 1.193 50 5 HDBARN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000001177842 568819397 /nfs/dbraw/zinc/81/93/97/568819397.db2.gz JPZYVQXWDBFNNI-UHFFFAOYSA-N 0 0 419.459 1.815 50 5 HDBARN COc1ccc(OC)c(-n2c(=O)c3ccc4c(=O)[nH]c(=O)c5ccc(c2=O)c3c45)c1 ZINC000227116834 568827732 /nfs/dbraw/zinc/82/77/32/568827732.db2.gz XFRBRBWRNJSTCI-UHFFFAOYSA-N 0 0 402.362 1.599 50 5 HDBARN Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])cc1C ZINC000012531705 568844222 /nfs/dbraw/zinc/84/42/22/568844222.db2.gz GJLVFBYNYMDACS-KBPBESRZSA-N 0 0 417.418 1.869 50 5 HDBARN CN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000012537924 568846382 /nfs/dbraw/zinc/84/63/82/568846382.db2.gz FJJJWPGSSKNUSU-SNVBAGLBSA-N 0 0 401.491 1.942 50 5 HDBARN CNS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000012557822 568856463 /nfs/dbraw/zinc/85/64/63/568856463.db2.gz SKQICFDODXMPQC-STQMWFEESA-N 0 0 400.501 1.803 50 5 HDBARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000012659383 568906799 /nfs/dbraw/zinc/90/67/99/568906799.db2.gz ZIURPXKVOFZGSJ-ZIAGYGMSSA-N 0 0 403.391 1.560 50 5 HDBARN CN(C)S(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003555587 568915159 /nfs/dbraw/zinc/91/51/59/568915159.db2.gz BWDNFLVFGUDIKE-UHFFFAOYSA-N 0 0 420.447 1.604 50 5 HDBARN Cc1nn(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c(C)c1[N+](=O)[O-] ZINC000084013815 568933116 /nfs/dbraw/zinc/93/31/16/568933116.db2.gz PLKPNLQTGKCDCV-OAHLLOKOSA-N 0 0 408.411 1.891 50 5 HDBARN C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157462 568946986 /nfs/dbraw/zinc/94/69/86/568946986.db2.gz IJTIAMMDASPHNP-SYCOBUBCSA-N 0 0 400.387 1.740 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1[N+](=O)[O-] ZINC000008022712 568968959 /nfs/dbraw/zinc/96/89/59/568968959.db2.gz BEKBNWJLGASLMJ-CQSZACIVSA-N 0 0 409.464 1.793 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000012853338 569010762 /nfs/dbraw/zinc/01/07/62/569010762.db2.gz ZNAKAOWZGJPHAB-UHFFFAOYSA-N 0 0 412.468 1.516 50 5 HDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCC1(N2CCOCC2)CCCCC1 ZINC000012888438 569019713 /nfs/dbraw/zinc/01/97/13/569019713.db2.gz URTIDLIVFKBLDU-UHFFFAOYSA-N 0 0 405.451 1.903 50 5 HDBARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000012914997 569022227 /nfs/dbraw/zinc/02/22/27/569022227.db2.gz QQHXRBMXZBPLCF-UHFFFAOYSA-N 0 0 405.432 1.546 50 5 HDBARN CCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O ZINC000012926335 569023791 /nfs/dbraw/zinc/02/37/91/569023791.db2.gz RDWWLGUUSITSTD-UHFFFAOYSA-N 0 0 412.358 1.588 50 5 HDBARN CCOC(=O)CS(=O)(=O)c1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000006181129 569028129 /nfs/dbraw/zinc/02/81/29/569028129.db2.gz OFLMQDJPMXLGBK-UHFFFAOYSA-N 0 0 407.404 1.257 50 5 HDBARN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000016130097 569029248 /nfs/dbraw/zinc/02/92/48/569029248.db2.gz WCSKRBAKSHQFOS-UHFFFAOYSA-N 0 0 403.413 1.785 50 5 HDBARN COC(=O)[C@@]1(C(F)(F)F)N=C(c2cccc([N+](=O)[O-])c2)OC(N2CCOCC2)=N1 ZINC000001870512 569056792 /nfs/dbraw/zinc/05/67/92/569056792.db2.gz HWOFDGAQJHUZNM-OAHLLOKOSA-N 0 0 416.312 1.491 50 5 HDBARN O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035870449 569063994 /nfs/dbraw/zinc/06/39/94/569063994.db2.gz IZCKFKLJNHKYKP-IEBWSBKVSA-N 0 0 408.462 1.779 50 5 HDBARN NC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(N3CCC(CC(N)=O)CC3)n2)CC1 ZINC000170610838 569245446 /nfs/dbraw/zinc/24/54/46/569245446.db2.gz GUIQVQHOSPPPNE-UHFFFAOYSA-N 0 0 404.471 1.173 50 5 HDBARN Nc1nc(CN2CCN(c3cc4[nH]c(=O)oc4cc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000089866712 569267450 /nfs/dbraw/zinc/26/74/50/569267450.db2.gz BWUAJFTWHMJKAY-UHFFFAOYSA-N 0 0 421.417 1.877 50 5 HDBARN Cc1nn(CS(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000017082079 569273085 /nfs/dbraw/zinc/27/30/85/569273085.db2.gz IGASGAAYWGZIKL-UHFFFAOYSA-N 0 0 400.844 1.750 50 5 HDBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000027370030 569298166 /nfs/dbraw/zinc/29/81/66/569298166.db2.gz GOZUBJRQBGSSHR-MAUKXSAKSA-N 0 0 407.471 1.043 50 5 HDBARN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000253432660 569369850 /nfs/dbraw/zinc/36/98/50/569369850.db2.gz MFZJCEIRLIUKRK-GOSISDBHSA-N 0 0 424.523 1.838 50 5 HDBARN CCOC(=O)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)CC1 ZINC000012413551 569400839 /nfs/dbraw/zinc/40/08/39/569400839.db2.gz XJXCHJKUGDEZID-UHFFFAOYSA-N 0 0 405.363 1.624 50 5 HDBARN O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000013041958 569407762 /nfs/dbraw/zinc/40/77/62/569407762.db2.gz NBAUKZCJZHGSOF-UHFFFAOYSA-N 0 0 410.496 1.304 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013129211 569409640 /nfs/dbraw/zinc/40/96/40/569409640.db2.gz LMXKAFKSFFQGQO-VXGBXAGGSA-N 0 0 407.354 1.391 50 5 HDBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013303382 569410600 /nfs/dbraw/zinc/41/06/00/569410600.db2.gz XJZCDFFKZPOESS-UHFFFAOYSA-N 0 0 417.399 1.416 50 5 HDBARN CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019858490 569431376 /nfs/dbraw/zinc/43/13/76/569431376.db2.gz JARWUGJIHRBVCI-INIZCTEOSA-N 0 0 406.464 1.815 50 5 HDBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000040111552 571169794 /nfs/dbraw/zinc/16/97/94/571169794.db2.gz XIPHLRORHZSRGY-UHFFFAOYSA-N 0 0 411.462 1.954 50 5 HDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000040115806 571173369 /nfs/dbraw/zinc/17/33/69/571173369.db2.gz PDGWKCMBXPSCKO-MWLCHTKSSA-N 0 0 408.263 1.492 50 5 HDBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1nc(N2CCOCC2)ncc1Cl ZINC000040123134 571179048 /nfs/dbraw/zinc/17/90/48/571179048.db2.gz ROINKIAOUOMQBY-UHFFFAOYSA-N 0 0 406.830 1.717 50 5 HDBARN O=C(Nc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000040144115 571194413 /nfs/dbraw/zinc/19/44/13/571194413.db2.gz SMDWGVZHOGBGRE-UHFFFAOYSA-N 0 0 418.431 1.066 50 5 HDBARN O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@@H]32)C(=O)N1 ZINC000009011785 571210649 /nfs/dbraw/zinc/21/06/49/571210649.db2.gz IPYSYVUCZZMGFX-RHSMWYFYSA-N 0 0 406.398 1.866 50 5 HDBARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc([N+](=O)[O-])o3)c2=O)c1 ZINC000009016218 571211502 /nfs/dbraw/zinc/21/15/02/571211502.db2.gz UIQWBSQSIXKGQC-UHFFFAOYSA-N 0 0 422.401 1.881 50 5 HDBARN Cc1ccc2c(c1)oc1cc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc(O)c1c2=O ZINC000040267444 571214558 /nfs/dbraw/zinc/21/45/58/571214558.db2.gz GQQZCYCWJFFLPZ-GFCCVEGCSA-N 0 0 417.439 1.642 50 5 HDBARN COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c([N+](=O)[O-])c1 ZINC000009579871 571270278 /nfs/dbraw/zinc/27/02/78/571270278.db2.gz PLPBUQVNRPEMDR-UHFFFAOYSA-N 0 0 400.303 1.746 50 5 HDBARN O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009960188 571292352 /nfs/dbraw/zinc/29/23/52/571292352.db2.gz MNBSPARSBOWUDC-UHFFFAOYSA-N 0 0 411.367 1.194 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000009961312 571292702 /nfs/dbraw/zinc/29/27/02/571292702.db2.gz HRSKXKNJQKPSMU-UHFFFAOYSA-N 0 0 400.351 1.453 50 5 HDBARN C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000002783941 132257776 /nfs/dbraw/zinc/25/77/76/132257776.db2.gz DNQOSXHVFQNNQL-LLVKDONJSA-N 0 0 401.383 1.439 50 5 HDBARN O=C(CCN1C(=O)c2cccnc2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004192987 132272933 /nfs/dbraw/zinc/27/29/33/132272933.db2.gz RKMSQWDEHQNFLM-UHFFFAOYSA-N 0 0 409.402 1.325 50 5 HDBARN COCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O ZINC000008974195 132334337 /nfs/dbraw/zinc/33/43/37/132334337.db2.gz CKRMRMHVHBBTKU-BEFAXECRSA-N 0 0 402.407 1.221 50 5 HDBARN CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(CCc1ccccc1)C2=O ZINC000008970792 132334358 /nfs/dbraw/zinc/33/43/58/132334358.db2.gz GYFDXKORAFEQOT-OAQYLSRUSA-N 0 0 408.414 1.895 50 5 HDBARN Cc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000009160778 132336811 /nfs/dbraw/zinc/33/68/11/132336811.db2.gz PEDJOZQHGIAXQE-UHFFFAOYSA-N 0 0 407.434 1.906 50 5 HDBARN Cc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cn1 ZINC000009192535 132337049 /nfs/dbraw/zinc/33/70/49/132337049.db2.gz FECHQKZMPFNZBM-UHFFFAOYSA-N 0 0 413.434 1.295 50 5 HDBARN O=C(C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000009322016 132338688 /nfs/dbraw/zinc/33/86/88/132338688.db2.gz XXQZJPJVNBMTPC-UHFFFAOYSA-N 0 0 416.356 1.121 50 5 HDBARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000011796126 132350820 /nfs/dbraw/zinc/35/08/20/132350820.db2.gz GBTHEXVUQUIGEC-UHFFFAOYSA-N 0 0 422.463 1.460 50 5 HDBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000024096838 522643648 /nfs/dbraw/zinc/64/36/48/522643648.db2.gz VOROYRZBNVVDOT-UHFFFAOYSA-N 0 0 422.445 1.831 50 5 HDBARN O=C(NCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000032719672 526838058 /nfs/dbraw/zinc/83/80/58/526838058.db2.gz GWUUXUMPYIQMPY-UHFFFAOYSA-N 0 0 400.439 1.679 50 5 HDBARN O=C(COc1cc(O)c2c(c1)oc1ccccc1c2=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000013683931 558568242 /nfs/dbraw/zinc/56/82/42/558568242.db2.gz JPTFXZSFCAMMRS-LLVKDONJSA-N 0 0 403.412 1.334 50 5 HDBARN Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccccc4F)CC3)cc2n(C)c1=O ZINC000013633059 558848895 /nfs/dbraw/zinc/84/88/95/558848895.db2.gz HPCVEYQMCDAPRR-UHFFFAOYSA-N 0 0 413.409 1.887 50 5 HDBARN CCCn1c(N)c(N(CCOC)C(=O)C=Cc2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000097986640 559009448 /nfs/dbraw/zinc/00/94/48/559009448.db2.gz WNCHBALHYJAUGR-FPLPWBNLSA-N 0 0 417.422 1.130 50 5 HDBARN COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000023108176 559010976 /nfs/dbraw/zinc/01/09/76/559010976.db2.gz LPLKDGZALCTHGN-GOSISDBHSA-N 0 0 421.475 1.955 50 5 HDBARN O=C(Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2)NC[C@H]1CCCO1 ZINC000023139172 559019515 /nfs/dbraw/zinc/01/95/15/559019515.db2.gz JRXPEUGHARRCAT-SNVBAGLBSA-N 0 0 421.435 1.679 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000004749953 559043740 /nfs/dbraw/zinc/04/37/40/559043740.db2.gz KBHGOPKALZAJMF-UHFFFAOYSA-N 0 0 405.432 1.797 50 5 HDBARN CCOC(=O)C(C(=O)OCC)[C@@H](O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100076871 559124186 /nfs/dbraw/zinc/12/41/86/559124186.db2.gz VGQUAYHYNMIPAJ-LBPRGKRZSA-N 0 0 401.284 1.187 50 5 HDBARN COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000004939814 559212376 /nfs/dbraw/zinc/21/23/76/559212376.db2.gz KGRPBEOTWPPUIP-CQSZACIVSA-N 0 0 402.285 1.966 50 5 HDBARN CCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c1nc1ccccn1c2=O ZINC000100757236 559264003 /nfs/dbraw/zinc/26/40/03/559264003.db2.gz DQRHLIZHLNDBBU-UHFFFAOYSA-N 0 0 417.425 1.807 50 5 biogenic HDBARN Cc1cccn2c1nc1c(cc(C(=O)N[C@H](C)c3ccccc3)c(=N)n1CCO)c2=O ZINC000100894355 560762122 /nfs/dbraw/zinc/76/21/22/560762122.db2.gz SFNYSRAUUDWHJR-OAHLLOKOSA-N 0 0 417.469 1.920 50 5 HDBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccc4c(c3)OCO4)c(=N)n1C)c2=O ZINC000101158783 560787155 /nfs/dbraw/zinc/78/71/55/560787155.db2.gz KRZXNROJWGKLCT-UHFFFAOYSA-N 0 0 417.425 1.633 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000102280455 560809624 /nfs/dbraw/zinc/80/96/24/560809624.db2.gz GPYPOZKSQLSDIM-VXGBXAGGSA-N 0 0 423.809 1.905 50 5 HDBARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 ZINC000012360647 568509417 /nfs/dbraw/zinc/50/94/17/568509417.db2.gz CJDLRGLVEXLIGM-UHFFFAOYSA-N 0 0 416.438 1.938 50 5 HDBARN CCOC(=O)CSc1ccc(C(=O)NCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020664044 568639526 /nfs/dbraw/zinc/63/95/26/568639526.db2.gz HBOIYSAQBNDWOD-UHFFFAOYSA-N 0 0 411.480 1.702 50 5 HDBARN CC[C@@H](C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCCC1=O ZINC000095939686 568661518 /nfs/dbraw/zinc/66/15/18/568661518.db2.gz GUKVATCXVOCZHK-KRWDZBQOSA-N 0 0 414.466 1.911 50 5 HDBARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000022061451 568764552 /nfs/dbraw/zinc/76/45/52/568764552.db2.gz QGMDCIWXBQPRMQ-SFHVURJKSA-N 0 0 400.391 1.975 50 5 HDBARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000025436593 568768314 /nfs/dbraw/zinc/76/83/14/568768314.db2.gz LYZIKXZIZQLTOK-UHFFFAOYSA-N 0 0 411.461 1.607 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000001148093 568772797 /nfs/dbraw/zinc/77/27/97/568772797.db2.gz ZBMQHJQOCCFMMJ-UHFFFAOYSA-N 0 0 400.416 1.502 50 5 HDBARN CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000029363775 568824995 /nfs/dbraw/zinc/82/49/95/568824995.db2.gz NRPGHWHFSJPRDN-UHFFFAOYSA-N 0 0 420.447 1.677 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2n[nH]c(C(=O)NC[C@H]3CCCO3)c2C1 ZINC000034797325 568827428 /nfs/dbraw/zinc/82/74/28/568827428.db2.gz PQAYEFQHDJSTIU-OAHLLOKOSA-N 0 0 413.434 1.354 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NC)[C@H]1CCS(=O)(=O)C1 ZINC000012554172 568854888 /nfs/dbraw/zinc/85/48/88/568854888.db2.gz IESINVODAIYFLS-AAEUAGOBSA-N 0 0 413.452 1.217 50 5 HDBARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)c([N+](=O)[O-])c1 ZINC000003170547 568859564 /nfs/dbraw/zinc/85/95/64/568859564.db2.gz PLYKVNUTEWNKRU-UHFFFAOYSA-N 0 0 420.403 1.916 50 5 HDBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000058006355 568874683 /nfs/dbraw/zinc/87/46/83/568874683.db2.gz UOZLUEHAAXRMSN-GFCCVEGCSA-N 0 0 408.370 1.113 50 5 HDBARN COc1cccc(-n2cc(CNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])nn2)c1 ZINC000058167263 568895511 /nfs/dbraw/zinc/89/55/11/568895511.db2.gz YSZHWNMLWANMMT-UHFFFAOYSA-N 0 0 404.408 1.444 50 5 HDBARN COc1ccc(CCNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012760430 568945155 /nfs/dbraw/zinc/94/51/55/568945155.db2.gz LWRUSUGRPQXIDE-QFBILLFUSA-N 0 0 419.434 1.548 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)c1=O ZINC000012766543 568948573 /nfs/dbraw/zinc/94/85/73/568948573.db2.gz MQSREPWPXLQSEP-SNVBAGLBSA-N 0 0 402.190 1.602 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=O ZINC000012768503 568949895 /nfs/dbraw/zinc/94/98/95/568949895.db2.gz SORHUGMJMTTYIG-JTQLQIEISA-N 0 0 402.190 1.602 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NC(=O)c1ccccc1 ZINC000007978158 568963257 /nfs/dbraw/zinc/96/32/57/568963257.db2.gz OVSGPDCKMOZRHM-UHFFFAOYSA-N 0 0 413.386 1.545 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012884673 569019416 /nfs/dbraw/zinc/01/94/16/569019416.db2.gz XLGGVPQICBOREX-JQWIXIFHSA-N 0 0 418.855 1.829 50 5 HDBARN COc1cc(CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000012934885 569026129 /nfs/dbraw/zinc/02/61/29/569026129.db2.gz AHBNOOQTOICYGI-RYUDHWBXSA-N 0 0 403.457 1.098 50 5 HDBARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000016177179 569029504 /nfs/dbraw/zinc/02/95/04/569029504.db2.gz QOCSMTKTXQJPPO-UHFFFAOYSA-N 0 0 410.390 1.895 50 5 HDBARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000006227484 569033460 /nfs/dbraw/zinc/03/34/60/569033460.db2.gz MOBJOODSBQFBFK-OAHLLOKOSA-N 0 0 411.370 1.514 50 5 HDBARN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@@H]12)N1CCCC1 ZINC000035894929 569065127 /nfs/dbraw/zinc/06/51/27/569065127.db2.gz GLYFNQKHNNZWMZ-MJGOQNOKSA-N 0 0 408.462 1.875 50 5 HDBARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035894425 569065146 /nfs/dbraw/zinc/06/51/46/569065146.db2.gz UDQKQXKXUGWKPG-UYAOXDASSA-N 0 0 402.495 1.965 50 5 HDBARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)NC3CC3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035965500 569069214 /nfs/dbraw/zinc/06/92/14/569069214.db2.gz ZEFMECKYXXXQIO-APPDUMDISA-N 0 0 413.434 1.444 50 5 HDBARN Cc1cc([N+](=O)[O-])nn1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000036614513 569209527 /nfs/dbraw/zinc/20/95/27/569209527.db2.gz GZEXEUAEKUVYMF-UHFFFAOYSA-N 0 0 407.452 1.595 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000007541271 569248863 /nfs/dbraw/zinc/24/88/63/569248863.db2.gz FCNIWARPDZMNHK-OAHLLOKOSA-N 0 0 412.464 1.941 50 5 HDBARN COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CN2CCOCC2)cc1=O ZINC000016974845 569269798 /nfs/dbraw/zinc/26/97/98/569269798.db2.gz NTNLXVAZOWATBM-UHFFFAOYSA-N 0 0 402.407 1.236 50 5 HDBARN Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCOCC1 ZINC000016976009 569269993 /nfs/dbraw/zinc/26/99/93/569269993.db2.gz TZDJIRWFLRXJMY-UHFFFAOYSA-N 0 0 424.435 1.148 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000017088861 569273948 /nfs/dbraw/zinc/27/39/48/569273948.db2.gz KBXKZKRGALLTCI-UHFFFAOYSA-N 0 0 411.461 1.290 50 5 HDBARN CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000012984769 569405727 /nfs/dbraw/zinc/40/57/27/569405727.db2.gz BKPAAGXCYMVJME-AWEZNQCLSA-N 0 0 412.512 1.433 50 5 HDBARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012996103 569406013 /nfs/dbraw/zinc/40/60/13/569406013.db2.gz MIQZZZUSWDELKT-GVAFMPQTSA-N 0 0 415.402 1.805 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013139322 569409812 /nfs/dbraw/zinc/40/98/12/569409812.db2.gz FFSQKNAKTIJTOA-YRXWBPOGSA-N 0 0 422.390 1.109 50 5 HDBARN CCOC(=O)c1nnc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1 ZINC000079104380 569427633 /nfs/dbraw/zinc/42/76/33/569427633.db2.gz ULTUYDQMZFFSPF-UHFFFAOYSA-N 0 0 400.394 1.279 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000079108121 569427870 /nfs/dbraw/zinc/42/78/70/569427870.db2.gz IVHWTRSLTOORCJ-OKILXGFUSA-N 0 0 401.485 1.771 50 5 HDBARN CN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000019800438 569430570 /nfs/dbraw/zinc/43/05/70/569430570.db2.gz WHODPIXJPGWZIA-UHFFFAOYSA-N 0 0 418.475 1.564 50 5 HDBARN Nc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000008780456 571118876 /nfs/dbraw/zinc/11/88/76/571118876.db2.gz LPAFJJMPOMVDBO-UHFFFAOYSA-N 0 0 418.431 1.380 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040072626 571153272 /nfs/dbraw/zinc/15/32/72/571153272.db2.gz YPIZPXMLWGIGAI-UHFFFAOYSA-N 0 0 412.402 1.959 50 5 HDBARN COC(=O)c1cc([N+](=O)[O-])ccc1NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040091240 571161278 /nfs/dbraw/zinc/16/12/78/571161278.db2.gz PGUSTEXBWJHKCG-TXEJJXNPSA-N 0 0 401.441 1.232 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009130630 571227531 /nfs/dbraw/zinc/22/75/31/571227531.db2.gz LQDAUYATUWOXFB-UHFFFAOYSA-N 0 0 422.325 1.842 50 5 HDBARN CCN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009352408 571250560 /nfs/dbraw/zinc/25/05/60/571250560.db2.gz IIIFMWHKJGPPDI-CYBMUJFWSA-N 0 0 416.477 1.266 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H]1CCS(=O)(=O)C1 ZINC000009847308 571288188 /nfs/dbraw/zinc/28/81/88/571288188.db2.gz SDRYZIIIHHRCEI-LBPRGKRZSA-N 0 0 403.482 1.368 50 5 HDBARN O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000010256702 571298575 /nfs/dbraw/zinc/29/85/75/571298575.db2.gz RYXOURYTWQESFM-UHFFFAOYSA-N 0 0 404.448 1.753 50 5 HDBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000008745653 132333021 /nfs/dbraw/zinc/33/30/21/132333021.db2.gz PQNMKORSCLANCR-CYBMUJFWSA-N 0 0 420.495 1.944 50 5 HDBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000032765673 527373190 /nfs/dbraw/zinc/37/31/90/527373190.db2.gz QMYACJVVIRHJAG-UHFFFAOYSA-N 0 0 413.843 1.868 50 5 HDBARN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N(C)C(C)=O)CC1 ZINC000072307845 558767919 /nfs/dbraw/zinc/76/79/19/558767919.db2.gz ZZDGOEZOAYCUEQ-UHFFFAOYSA-N 0 0 400.457 1.224 50 5 HDBARN NC(=O)CO[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000072312701 558838076 /nfs/dbraw/zinc/83/80/76/558838076.db2.gz BIZRQIWZNXQWEK-NSHDSACASA-N 0 0 404.345 1.518 50 5 HDBARN Cc1nn(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(C)c1[N+](=O)[O-] ZINC000023486773 559176328 /nfs/dbraw/zinc/17/63/28/559176328.db2.gz SEXHKPPRXXBWPB-UHFFFAOYSA-N 0 0 415.422 1.650 50 5 HDBARN COCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1ccc(C)cn1c2=O ZINC000100627998 559245618 /nfs/dbraw/zinc/24/56/18/559245618.db2.gz YDQDDGBBHDVYDW-UHFFFAOYSA-N 0 0 421.457 1.997 50 5 HDBARN NS(=O)(=O)c1ccc(Nc2c3c(ccc2[N+](=O)[O-])=NC2(CCCCC2)N=3)cc1 ZINC000100692134 559256954 /nfs/dbraw/zinc/25/69/54/559256954.db2.gz WQBINPDTAFNMAU-UHFFFAOYSA-N 0 0 401.448 1.899 50 5 HDBARN COCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N ZINC000100812389 559269058 /nfs/dbraw/zinc/26/90/58/559269058.db2.gz VNKSAWZWZWWLSN-UHFFFAOYSA-N 0 0 403.442 1.553 50 5 HDBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000005400864 560583838 /nfs/dbraw/zinc/58/38/38/560583838.db2.gz ZYYUHLFVYGUSEW-UHFFFAOYSA-N 0 0 408.370 1.864 50 5 HDBARN C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102129339 560807941 /nfs/dbraw/zinc/80/79/41/560807941.db2.gz UTHAJJWEHUCCEH-RCBQFDQVSA-N 0 0 415.402 1.806 50 5 HDBARN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000049632637 568452732 /nfs/dbraw/zinc/45/27/32/568452732.db2.gz DCAKNOMRQBAGLV-ZIAGYGMSSA-N 0 0 407.448 1.884 50 5 HDBARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000024816231 568465996 /nfs/dbraw/zinc/46/59/96/568465996.db2.gz DBUIKMNFOIOHDN-UHFFFAOYSA-N 0 0 410.390 1.895 50 5 HDBARN CN(C)[C@H]1N(C(=O)c2cccc([N+](=O)[O-])c2)N=C2c3ccccc3S(=O)(=O)N21 ZINC000019929877 568586003 /nfs/dbraw/zinc/58/60/03/568586003.db2.gz CBNIELXRDWTVDI-KRWDZBQOSA-N 0 0 401.404 1.262 50 5 HDBARN O=C(OCc1ccccc1)C1=C[C@@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)NN1 ZINC000020070434 568587070 /nfs/dbraw/zinc/58/70/70/568587070.db2.gz HNWFJJLWKNZINW-FQEVSTJZSA-N 0 0 408.370 1.690 50 5 HDBARN CCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000020289248 568597490 /nfs/dbraw/zinc/59/74/90/568597490.db2.gz BKGLVALCZTZKJR-UHFFFAOYSA-N 0 0 403.443 1.853 50 5 HDBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnc2n1CCC2 ZINC000095348785 568600177 /nfs/dbraw/zinc/60/01/77/568600177.db2.gz UQBJMYKPANSOHU-GFCCVEGCSA-N 0 0 422.467 1.327 50 5 HDBARN Cn1nc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccc1=O ZINC000020915313 568650757 /nfs/dbraw/zinc/65/07/57/568650757.db2.gz HGTOWQKMLASTGY-UHFFFAOYSA-N 0 0 414.399 1.774 50 5 HDBARN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000095993322 568678065 /nfs/dbraw/zinc/67/80/65/568678065.db2.gz IXCJXXULVUITFR-YPMHNXCESA-N 0 0 400.453 1.784 50 5 HDBARN COCCNC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000096318079 568727123 /nfs/dbraw/zinc/72/71/23/568727123.db2.gz OVXXEABONNKWRN-UHFFFAOYSA-N 0 0 412.402 1.132 50 5 HDBARN CCOC(=O)N1CCC(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)CC1 ZINC000005796364 568734198 /nfs/dbraw/zinc/73/41/98/568734198.db2.gz AVHUNIIAAQMHPK-UHFFFAOYSA-N 0 0 418.248 1.599 50 5 HDBARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000022061483 568764578 /nfs/dbraw/zinc/76/45/78/568764578.db2.gz KQCLXNSBRRDFCO-ROUUACIJSA-N 0 0 421.475 1.748 50 5 HDBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCc2ccccc21 ZINC000002623871 568788617 /nfs/dbraw/zinc/78/86/17/568788617.db2.gz YBHBXSONKWSHHZ-UHFFFAOYSA-N 0 0 423.381 1.713 50 5 HDBARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(OCC(F)F)cc([N+](=O)[O-])c2)C1 ZINC000002808097 568810978 /nfs/dbraw/zinc/81/09/78/568810978.db2.gz YHAKEIJEMMXJCC-JTQLQIEISA-N 0 0 407.395 1.849 50 5 HDBARN Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000002832567 568812481 /nfs/dbraw/zinc/81/24/81/568812481.db2.gz BDHWFNCZARHUQM-UHFFFAOYSA-N 0 0 413.477 1.550 50 5 HDBARN O=C(Cc1ccc(F)cc1)N1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 ZINC000029624788 568827781 /nfs/dbraw/zinc/82/77/81/568827781.db2.gz QCMVUPASPMZFOF-UHFFFAOYSA-N 0 0 400.414 1.990 50 5 HDBARN CNS(=O)(=O)c1ccc(NC[C@@]2(N3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625875 568827792 /nfs/dbraw/zinc/82/77/92/568827792.db2.gz LOKDXACHANKBPO-INIZCTEOSA-N 0 0 416.525 1.123 50 5 HDBARN COc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000012530595 568844174 /nfs/dbraw/zinc/84/41/74/568844174.db2.gz ZPAJTGLQEDDWHE-CHWSQXEVSA-N 0 0 419.390 1.260 50 5 HDBARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000012537928 568846323 /nfs/dbraw/zinc/84/63/23/568846323.db2.gz NDWPPSQGMUNASF-UHFFFAOYSA-N 0 0 407.404 1.641 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O ZINC000003154437 568858445 /nfs/dbraw/zinc/85/84/45/568858445.db2.gz CYVUDLZPMUGSTB-UHFFFAOYSA-N 0 0 406.310 1.003 50 5 HDBARN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000003247097 568867214 /nfs/dbraw/zinc/86/72/14/568867214.db2.gz MULDZGVCMMEEHW-UHFFFAOYSA-N 0 0 417.403 1.941 50 5 HDBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N(C)C ZINC000003280436 568871688 /nfs/dbraw/zinc/87/16/88/568871688.db2.gz VUXPOMZWANWSBP-CYBMUJFWSA-N 0 0 417.871 1.731 50 5 HDBARN C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000003309158 568877717 /nfs/dbraw/zinc/87/77/17/568877717.db2.gz HPKKNWRCPQYJSR-IJEWVQPXSA-N 0 0 411.480 1.774 50 5 HDBARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003319709 568880037 /nfs/dbraw/zinc/88/00/37/568880037.db2.gz PQSGFXRSTDIKRE-UHFFFAOYSA-N 0 0 421.431 1.706 50 5 HDBARN COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC ZINC000015391589 568885221 /nfs/dbraw/zinc/88/52/21/568885221.db2.gz BYYHFXAFRHJVCC-GFCCVEGCSA-N 0 0 421.431 1.696 50 5 HDBARN C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C(=O)c2ccccc2C1=O ZINC000003480297 568908271 /nfs/dbraw/zinc/90/82/71/568908271.db2.gz KUYRPWRGULHJJF-JTQLQIEISA-N 0 0 415.333 1.900 50 5 HDBARN O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000016043635 569028084 /nfs/dbraw/zinc/02/80/84/569028084.db2.gz QLMJBQZRJGXYSR-UHFFFAOYSA-N 0 0 406.420 1.272 50 5 HDBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000012979168 569042652 /nfs/dbraw/zinc/04/26/52/569042652.db2.gz GFBHYFQZALRHTE-ZDUSSCGKSA-N 0 0 407.452 1.851 50 5 HDBARN NS(=O)(=O)c1ccc(ON2C(=O)c3cccc4cccc(c43)C2=O)c([N+](=O)[O-])c1 ZINC000016667951 569070074 /nfs/dbraw/zinc/07/00/74/569070074.db2.gz ZHDCESQPWCRCDZ-UHFFFAOYSA-N 0 0 413.367 1.985 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000170609802 569245070 /nfs/dbraw/zinc/24/50/70/569245070.db2.gz VXJIEWFSDBREKR-UHFFFAOYSA-N 0 0 401.379 1.412 50 5 HDBARN O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2ccccn2)c(S(=O)(=O)N2CCCC2)c1 ZINC000170610821 569245426 /nfs/dbraw/zinc/24/54/26/569245426.db2.gz UNEIFYMYVZWGCB-OAHLLOKOSA-N 0 0 406.464 1.790 50 5 HDBARN CN1CCN(n2c3c(c(SCc4ccc([N+](=O)[O-])cc4)nc2=O)CCC3)CC1 ZINC000010255144 569254089 /nfs/dbraw/zinc/25/40/89/569254089.db2.gz MMNGOSQTHDFNMI-UHFFFAOYSA-N 0 0 401.492 1.816 50 5 HDBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3)c(=N)n1CCCO)c2=O ZINC000100678343 569281900 /nfs/dbraw/zinc/28/19/00/569281900.db2.gz WEGITTAJHDOQJH-UHFFFAOYSA-N 0 0 417.469 1.749 50 5 HDBARN Cc1nn(CC(=O)NCC(=O)Nc2ccccc2Br)c(C)c1[N+](=O)[O-] ZINC000012976184 569405631 /nfs/dbraw/zinc/40/56/31/569405631.db2.gz ZZXCIFPEAIYYPA-UHFFFAOYSA-N 0 0 410.228 1.926 50 5 HDBARN Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000013002580 569406306 /nfs/dbraw/zinc/40/63/06/569406306.db2.gz MSEBZELZUKHOOK-UHFFFAOYSA-N 0 0 419.459 1.854 50 5 HDBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CN2CCOCC2)n1C ZINC000019799460 569430402 /nfs/dbraw/zinc/43/04/02/569430402.db2.gz SNHIKZMJRGQJDD-UHFFFAOYSA-N 0 0 406.468 1.595 50 5 HDBARN COC(=O)CNC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@@](=O)Cc1ccccc1 ZINC000008856060 571128046 /nfs/dbraw/zinc/12/80/46/571128046.db2.gz WQLJEPCRHZSYFJ-GDLZYMKVSA-N 0 0 421.387 1.714 50 5 HDBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000040012860 571138394 /nfs/dbraw/zinc/13/83/94/571138394.db2.gz WTRWRIMTJGBXQR-MRXNPFEDSA-N 0 0 408.436 1.171 50 5 HDBARN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040115370 571173064 /nfs/dbraw/zinc/17/30/64/571173064.db2.gz GAERUIANRXMPMV-QWHCGFSZSA-N 0 0 407.370 1.204 50 5 HDBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040115368 571173072 /nfs/dbraw/zinc/17/30/72/571173072.db2.gz GAERUIANRXMPMV-CHWSQXEVSA-N 0 0 407.370 1.204 50 5 HDBARN CCCn1c(N)c(N(CCOC)C(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC000040140739 571192036 /nfs/dbraw/zinc/19/20/36/571192036.db2.gz XQMCSJKMNCVQCL-UHFFFAOYSA-N 0 0 423.401 1.178 50 5 HDBARN NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000009223678 571238677 /nfs/dbraw/zinc/23/86/77/571238677.db2.gz SIMQTYOTLUFSLR-UHFFFAOYSA-N 0 0 405.841 1.374 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc2c(c1)OCO2 ZINC000009562716 571268458 /nfs/dbraw/zinc/26/84/58/571268458.db2.gz XKBPECMPHQIWDM-UHFFFAOYSA-N 0 0 403.347 1.523 50 5 HDBARN NC(=O)c1nc(-c2ccccc2[N+](=O)[O-])nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 ZINC000009739439 571283265 /nfs/dbraw/zinc/28/32/65/571283265.db2.gz UQDDBRAOGXBDMS-UHFFFAOYSA-N 0 0 420.341 1.512 50 5 HDBARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000010099674 571294965 /nfs/dbraw/zinc/29/49/65/571294965.db2.gz XGHUGUNYJKDVDN-LLVKDONJSA-N 0 0 406.420 1.308 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000010256344 132244955 /nfs/dbraw/zinc/24/49/55/132244955.db2.gz LMMSAWKURZSKJF-UHFFFAOYSA-N 0 0 420.389 1.674 50 5 HDBARN CCOC(=O)C1=NO[C@@H](CNC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004040935 132270056 /nfs/dbraw/zinc/27/00/56/132270056.db2.gz KJQUAJVRBBLVNR-MRXNPFEDSA-N 0 0 404.423 1.635 50 5 HDBARN NC(=O)c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000006346062 132310480 /nfs/dbraw/zinc/31/04/80/132310480.db2.gz DHGDUWPXSQNNRV-MDWZMJQESA-N 0 0 416.459 1.816 50 5 HDBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(N2CCOCC2)cc1 ZINC000006507692 132311297 /nfs/dbraw/zinc/31/12/97/132311297.db2.gz QLUZJNQGBNKXKG-UHFFFAOYSA-N 0 0 415.450 1.886 50 5 HDBARN Cc1nc2ccccc2c(=O)n1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006831960 132318341 /nfs/dbraw/zinc/31/83/41/132318341.db2.gz SRUQIADITDTDON-UHFFFAOYSA-N 0 0 409.402 1.834 50 5 HDBARN O=C(NCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000007466408 132324590 /nfs/dbraw/zinc/32/45/90/132324590.db2.gz LDNFQULGICTIQM-UHFFFAOYSA-N 0 0 404.448 1.653 50 5 HDBARN O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010211845 132345459 /nfs/dbraw/zinc/34/54/59/132345459.db2.gz LBNSNEYGDPOKPH-UHFFFAOYSA-N 0 0 412.233 1.807 50 5 HDBARN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000032809370 526629001 /nfs/dbraw/zinc/62/90/01/526629001.db2.gz UOZRKVQMZWREKE-UHFFFAOYSA-N 0 0 410.390 1.291 50 5 HDBARN NS(=O)(=O)c1ccc(OCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000032850935 527317627 /nfs/dbraw/zinc/31/76/27/527317627.db2.gz REFOKEWLAWEHPD-UHFFFAOYSA-N 0 0 406.464 1.443 50 5 HDBARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000008440697 557789593 /nfs/dbraw/zinc/78/95/93/557789593.db2.gz JMACTOCEAXAYHU-UHFFFAOYSA-N 0 0 415.815 1.245 50 5 HDBARN O=C(NCc1cccnc1N1CCOCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033017474 558834552 /nfs/dbraw/zinc/83/45/52/558834552.db2.gz LHXRJZCHOPWSFS-UHFFFAOYSA-N 0 0 408.418 1.942 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCOCC2)c2ccccc2)cc1 ZINC000022147731 558862736 /nfs/dbraw/zinc/86/27/36/558862736.db2.gz ZYYIJFFDPDFXDI-SFHVURJKSA-N 0 0 421.475 1.483 50 5 HDBARN Nc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000097147718 558997105 /nfs/dbraw/zinc/99/71/05/558997105.db2.gz HNSSAFRTFVKLBW-UHFFFAOYSA-N 0 0 404.448 1.714 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000014236989 559160898 /nfs/dbraw/zinc/16/08/98/559160898.db2.gz XUYKMFMIFRIFJD-AAEUAGOBSA-N 0 0 414.436 1.184 50 5 HDBARN Cc1cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000005635699 560635511 /nfs/dbraw/zinc/63/55/11/560635511.db2.gz RAEZWRKFOLWWIV-OAHLLOKOSA-N 0 0 412.464 1.732 50 5 HDBARN CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(OC)cc2)c1=N ZINC000100925859 560763218 /nfs/dbraw/zinc/76/32/18/560763218.db2.gz AZIDKDZHBCHBHV-UHFFFAOYSA-N 0 0 403.442 1.935 50 5 HDBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cn1 ZINC000024828499 568469782 /nfs/dbraw/zinc/46/97/82/568469782.db2.gz UIALKGROMHHHQC-UHFFFAOYSA-N 0 0 420.447 1.662 50 5 HDBARN C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCCCC1 ZINC000024843548 568470861 /nfs/dbraw/zinc/47/08/61/568470861.db2.gz XSFRPCKPPSPRTH-VXGBXAGGSA-N 0 0 417.418 1.960 50 5 HDBARN O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000019991037 568586260 /nfs/dbraw/zinc/58/62/60/568586260.db2.gz PFFXMOKABBEAAE-NRFANRHFSA-N 0 0 411.414 1.692 50 5 HDBARN NC(=O)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000095415869 568606962 /nfs/dbraw/zinc/60/69/62/568606962.db2.gz GQNNQOALMAICRB-KGLIPLIRSA-N 0 0 412.468 1.072 50 5 HDBARN CCCCn1nn/c(=N\C(=O)c2ccc([N+](=O)[O-])o2)n1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000095482098 568632409 /nfs/dbraw/zinc/63/24/09/568632409.db2.gz JJMOPNPLCBRNSM-FOCLMDBBSA-N 0 0 419.310 1.312 50 5 HDBARN Cc1cccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C ZINC000000941645 568753233 /nfs/dbraw/zinc/75/32/33/568753233.db2.gz KLKWCJIJEZBERP-UHFFFAOYSA-N 0 0 411.370 1.990 50 5 HDBARN Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000025284847 568761899 /nfs/dbraw/zinc/76/18/99/568761899.db2.gz SZMPBJOJPOLVOZ-UHFFFAOYSA-N 0 0 424.439 1.280 50 5 HDBARN COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000025379473 568765834 /nfs/dbraw/zinc/76/58/34/568765834.db2.gz XIQWRABTFAHFQB-UHFFFAOYSA-N 0 0 419.459 1.888 50 5 HDBARN Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000225667003 568778258 /nfs/dbraw/zinc/77/82/58/568778258.db2.gz OUHRIFAUDXBBMX-KRWDZBQOSA-N 0 0 417.447 1.955 50 5 HDBARN COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC ZINC000002668694 568798967 /nfs/dbraw/zinc/79/89/67/568798967.db2.gz DERPYVWALNEHPB-CKYFFXLPSA-N 0 0 410.429 1.913 50 5 HDBARN Cn1cc(NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c(C(=O)NCc2ccco2)n1 ZINC000002732331 568804866 /nfs/dbraw/zinc/80/48/66/568804866.db2.gz JXWGUNYIWLPOQY-UHFFFAOYSA-N 0 0 421.801 1.730 50 5 HDBARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000002783643 568808425 /nfs/dbraw/zinc/80/84/25/568808425.db2.gz CWYRYFKYJSCEFE-UHFFFAOYSA-N 0 0 419.459 1.815 50 5 HDBARN CCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002842053 568812924 /nfs/dbraw/zinc/81/29/24/568812924.db2.gz ICHASHVCXVIQBL-UHFFFAOYSA-N 0 0 422.415 1.793 50 5 HDBARN CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002861701 568813457 /nfs/dbraw/zinc/81/34/57/568813457.db2.gz ZTSOBBBPHGIAKX-UHFFFAOYSA-N 0 0 408.461 1.972 50 5 HDBARN CC[C@@H](C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012521863 568841650 /nfs/dbraw/zinc/84/16/50/568841650.db2.gz XKFPCXVKYYOTOW-DGCLKSJQSA-N 0 0 413.452 1.148 50 5 HDBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N(C)C ZINC000003280437 568871691 /nfs/dbraw/zinc/87/16/91/568871691.db2.gz VUXPOMZWANWSBP-ZDUSSCGKSA-N 0 0 417.871 1.731 50 5 HDBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000003311284 568878490 /nfs/dbraw/zinc/87/84/90/568878490.db2.gz FZIBULPIWZMOTR-HNNXBMFYSA-N 0 0 420.761 1.888 50 5 HDBARN COc1cc(C(=O)N2CCN(Cc3nonc3C)CC2)c([N+](=O)[O-])c(OC)c1OC ZINC000058158949 568893936 /nfs/dbraw/zinc/89/39/36/568893936.db2.gz SFWIQWVROCLRGS-UHFFFAOYSA-N 0 0 421.410 1.270 50 5 HDBARN Cn1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000058209869 568899715 /nfs/dbraw/zinc/89/97/15/568899715.db2.gz OKQJQWPHPUOGRS-UHFFFAOYSA-N 0 0 407.452 1.159 50 5 HDBARN Cc1cc(C(=O)NCCCNC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000003583341 568916860 /nfs/dbraw/zinc/91/68/60/568916860.db2.gz AHTNHILGZALVLP-UHFFFAOYSA-N 0 0 402.432 1.762 50 5 HDBARN COC(=O)c1cn(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)c(=O)c2ccccc12 ZINC000003630832 568921216 /nfs/dbraw/zinc/92/12/16/568921216.db2.gz AABWTUYIJAFSTA-UHFFFAOYSA-N 0 0 419.781 1.625 50 5 HDBARN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000031658841 568928889 /nfs/dbraw/zinc/92/88/89/568928889.db2.gz PTMXWYKHTNQJPB-QGZVFWFLSA-N 0 0 417.403 1.161 50 5 HDBARN O=C(CCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004207985 568951476 /nfs/dbraw/zinc/95/14/76/568951476.db2.gz ROJRGBOTBCBWAG-WVMBZCLNSA-N 0 0 400.387 1.742 50 5 HDBARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000004313842 568961315 /nfs/dbraw/zinc/96/13/15/568961315.db2.gz AUDMXWSEKZUZOP-VXGBXAGGSA-N 0 0 403.391 1.524 50 5 HDBARN CSc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000015700960 568969318 /nfs/dbraw/zinc/96/93/18/568969318.db2.gz ZUOGKTVVKSBOSZ-UHFFFAOYSA-N 0 0 416.463 1.185 50 5 HDBARN COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000008157087 568978395 /nfs/dbraw/zinc/97/83/95/568978395.db2.gz IPNYHYIZBVGGTH-FQEVSTJZSA-N 0 0 412.402 1.687 50 5 HDBARN COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1c(C)cccn1c2=O ZINC000100627907 569008151 /nfs/dbraw/zinc/00/81/51/569008151.db2.gz WAFNFDBBIUDSAK-UHFFFAOYSA-N 0 0 407.430 1.606 50 5 HDBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 ZINC000015882309 569018954 /nfs/dbraw/zinc/01/89/54/569018954.db2.gz UXXURTFDULBLJF-UHFFFAOYSA-N 0 0 418.479 1.496 50 5 HDBARN NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001840680 569056437 /nfs/dbraw/zinc/05/64/37/569056437.db2.gz KEIDHPMOQCEFNS-XCVCLJGOSA-N 0 0 406.445 1.769 50 5 HDBARN CCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000027054415 569072111 /nfs/dbraw/zinc/07/21/11/569072111.db2.gz PHRJADFESYIZIW-UHFFFAOYSA-N 0 0 406.370 1.052 50 5 HDBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12 ZINC000169677229 569125184 /nfs/dbraw/zinc/12/51/84/569125184.db2.gz AYXVXBYGMHTCII-MJGOQNOKSA-N 0 0 415.494 1.016 50 5 HDBARN CN(CCN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(F)F ZINC000170619640 569248295 /nfs/dbraw/zinc/24/82/95/569248295.db2.gz XNMHEZDOBSLRFI-UHFFFAOYSA-N 0 0 422.454 1.249 50 5 HDBARN COc1ccc(C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)n2)cc1[N+](=O)[O-] ZINC000089954525 569269916 /nfs/dbraw/zinc/26/99/16/569269916.db2.gz ODDYDLRXQYMPCJ-UHFFFAOYSA-N 0 0 413.434 1.915 50 5 HDBARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000089980314 569271000 /nfs/dbraw/zinc/27/10/00/569271000.db2.gz DIPNTIAEHFEPMG-UHFFFAOYSA-N 0 0 406.420 1.860 50 5 HDBARN Cc1nn(Cn2ccc(C(=O)N3NC(C)=C[C@@]3(O)C(F)(F)F)n2)c(C)c1[N+](=O)[O-] ZINC000017090237 569273681 /nfs/dbraw/zinc/27/36/81/569273681.db2.gz LJJHBJLZSIOGJR-CQSZACIVSA-N 0 0 415.332 1.583 50 5 HDBARN COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007804958 569311725 /nfs/dbraw/zinc/31/17/25/569311725.db2.gz SZYXMQDJXJEALU-UHFFFAOYSA-N 0 0 419.459 1.679 50 5 HDBARN CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1cc(OC)c2c(c1OC)OCO2 ZINC000066088512 569314403 /nfs/dbraw/zinc/31/44/03/569314403.db2.gz DCFKOKJNBHNPCE-LLVKDONJSA-N 0 0 413.379 1.535 50 5 HDBARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017986908 569382087 /nfs/dbraw/zinc/38/20/87/569382087.db2.gz XIVLDVZEKXJNAG-RYUDHWBXSA-N 0 0 406.778 1.925 50 5 HDBARN O=C(NCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1 ZINC000009168103 569391727 /nfs/dbraw/zinc/39/17/27/569391727.db2.gz WDQWEBBYVLALDT-FMIVXFBMSA-N 0 0 424.207 1.830 50 5 HDBARN CC(C)CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012989748 569406000 /nfs/dbraw/zinc/40/60/00/569406000.db2.gz PXDNMZDIVLXUED-CQSZACIVSA-N 0 0 407.452 1.461 50 5 HDBARN COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1 ZINC000079071403 569426850 /nfs/dbraw/zinc/42/68/50/569426850.db2.gz MDQOTVZHXPMYCN-UHFFFAOYSA-N 0 0 410.180 1.944 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000008850781 571126880 /nfs/dbraw/zinc/12/68/80/571126880.db2.gz UWZSQEJSFNNEGX-IMQJOWEQSA-N 0 0 423.447 1.928 50 5 HDBARN NC(=O)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000040120744 571176576 /nfs/dbraw/zinc/17/65/76/571176576.db2.gz HIDCLKJVLKPPCV-UHFFFAOYSA-N 0 0 403.464 1.636 50 5 HDBARN CCN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009352409 571250622 /nfs/dbraw/zinc/25/06/22/571250622.db2.gz IIIFMWHKJGPPDI-ZDUSSCGKSA-N 0 0 416.477 1.266 50 5 HDBARN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000009509366 571264073 /nfs/dbraw/zinc/26/40/73/571264073.db2.gz DQXRIBCUPHNXHU-UHFFFAOYSA-N 0 0 421.479 1.250 50 5 HDBARN Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000009510137 571264125 /nfs/dbraw/zinc/26/41/25/571264125.db2.gz FZBMQCKRCHGHKW-UHFFFAOYSA-N 0 0 416.346 1.723 50 5 HDBARN CCNc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000009631234 571274686 /nfs/dbraw/zinc/27/46/86/571274686.db2.gz IZKMUTFJDLQCJQ-UHFFFAOYSA-N 0 0 422.419 1.470 50 5 HDBARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009633402 571275043 /nfs/dbraw/zinc/27/50/43/571275043.db2.gz CXKJEZNXNIROSR-UHFFFAOYSA-N 0 0 421.431 1.965 50 5 HDBARN Cc1nn(CC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c(C)c1[N+](=O)[O-] ZINC000009728244 571282680 /nfs/dbraw/zinc/28/26/80/571282680.db2.gz WPBZEAGNISBTQS-UHFFFAOYSA-N 0 0 412.410 1.971 50 5 HDBARN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000009924404 571290415 /nfs/dbraw/zinc/29/04/15/571290415.db2.gz YMDWOZGKAPWPFF-GFCCVEGCSA-N 0 0 407.423 1.984 50 5 HDBARN O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000010256794 571298606 /nfs/dbraw/zinc/29/86/06/571298606.db2.gz GDAYYYHEESIFOX-UHFFFAOYSA-N 0 0 422.438 1.893 50 5 HDBARN O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000019991256 571314434 /nfs/dbraw/zinc/31/44/34/571314434.db2.gz DRQRMIZJRVKYMS-NRFANRHFSA-N 0 0 411.414 1.692 50 5 HDBARN CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000010221049 132244897 /nfs/dbraw/zinc/24/48/97/132244897.db2.gz XPOIPZGYSJJGRP-UHFFFAOYSA-N 0 0 420.495 1.742 50 5 HDBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 ZINC000001818529 132247943 /nfs/dbraw/zinc/24/79/43/132247943.db2.gz ZVIVCRFNVXNGOL-PXNMLYILSA-N 0 0 411.399 1.610 50 5 HDBARN CCOC(=O)C1=NO[C@H](CNC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004040930 132269993 /nfs/dbraw/zinc/26/99/93/132269993.db2.gz KJQUAJVRBBLVNR-INIZCTEOSA-N 0 0 404.423 1.635 50 5 HDBARN Cn1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2c1=O ZINC000004983151 132297837 /nfs/dbraw/zinc/29/78/37/132297837.db2.gz HYBIXJUQHPPHJD-UHFFFAOYSA-N 0 0 407.430 1.733 50 5 HDBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2 ZINC000008818286 132333508 /nfs/dbraw/zinc/33/35/08/132333508.db2.gz HQZSDIIRSICIPK-SXGWCWSVSA-N 0 0 411.399 1.610 50 5 HDBARN Cc1cccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc([N+](=O)[O-])cc54)c(=O)n3C2)c1 ZINC000009246670 132337512 /nfs/dbraw/zinc/33/75/12/132337512.db2.gz GENJCJJSSRSESW-MSUUIHNZSA-N 0 0 421.438 1.332 50 5 HDBARN O=C(Cn1cnc([N+](=O)[O-])c1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012740117 132366381 /nfs/dbraw/zinc/36/63/81/132366381.db2.gz RRYDNTOPZTYYNU-UHFFFAOYSA-N 0 0 419.463 1.555 50 5 HDBARN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000032906039 522904401 /nfs/dbraw/zinc/90/44/01/522904401.db2.gz SRCKOANNGLJJKT-CYBMUJFWSA-N 0 0 409.468 1.916 50 5 HDBARN C[C@@]1(c2ccccn2)NC(=O)N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000032913345 525903123 /nfs/dbraw/zinc/90/31/23/525903123.db2.gz WZQXHMMVQLMORU-FQEVSTJZSA-N 0 0 410.434 1.537 50 5 HDBARN CSc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 ZINC000040398886 526205675 /nfs/dbraw/zinc/20/56/75/526205675.db2.gz UBJNFDHAOWKJBU-LLVKDONJSA-N 0 0 410.459 1.720 50 5 HDBARN COCCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccccn1c2=O ZINC000002107098 557314383 /nfs/dbraw/zinc/31/43/83/557314383.db2.gz YSOQQNPDRCVUCA-UHFFFAOYSA-N 0 0 418.457 1.490 50 5 HDBARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000004555421 558678692 /nfs/dbraw/zinc/67/86/92/558678692.db2.gz VYAMCIGMUVCVLR-HNNXBMFYSA-N 0 0 411.370 1.514 50 5 HDBARN O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])CC1 ZINC000013574165 558844975 /nfs/dbraw/zinc/84/49/75/558844975.db2.gz AMCXEJRACJQITK-UHFFFAOYSA-N 0 0 418.797 1.623 50 5 HDBARN COC[C@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000013847187 558885987 /nfs/dbraw/zinc/88/59/87/558885987.db2.gz FWODITCDNJKJET-AWEZNQCLSA-N 0 0 407.448 1.941 50 5 HDBARN Cc1cc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000013878773 558889732 /nfs/dbraw/zinc/88/97/32/558889732.db2.gz UUCBYIAWDQWSDK-UHFFFAOYSA-N 0 0 407.404 1.595 50 5 HDBARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@@]2(c2cccc([N+](=O)[O-])c2)NN1 ZINC000004719445 558916610 /nfs/dbraw/zinc/91/66/10/558916610.db2.gz LUFWWQPZKNTNBC-QRWLVFNGSA-N 0 0 408.370 1.502 50 5 HDBARN N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1 ZINC000100622887 559137042 /nfs/dbraw/zinc/13/70/42/559137042.db2.gz HVLCDFRPZXBGMB-HNNXBMFYSA-N 0 0 407.474 1.980 50 5 HDBARN COc1ccc(CNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(C)c2=N)cc1 ZINC000101144552 559143536 /nfs/dbraw/zinc/14/35/36/559143536.db2.gz HXEJQIOWNBKTJH-UHFFFAOYSA-N 0 0 403.442 1.913 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000014236986 559160948 /nfs/dbraw/zinc/16/09/48/559160948.db2.gz XUYKMFMIFRIFJD-WCQYABFASA-N 0 0 414.436 1.184 50 5 HDBARN COc1ccc(CCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OC ZINC000003268875 560591084 /nfs/dbraw/zinc/59/10/84/560591084.db2.gz VQILSJZRNNRWMV-UHFFFAOYSA-N 0 0 413.386 1.567 50 5 HDBARN COCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100826621 560759303 /nfs/dbraw/zinc/75/93/03/560759303.db2.gz DNWNJRFFKPNADN-UHFFFAOYSA-N 0 0 410.455 1.608 50 5 HDBARN CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCn2ccnc2)c1=N ZINC000100848185 560759879 /nfs/dbraw/zinc/75/98/79/560759879.db2.gz SUQBZMYJBOSYLM-UHFFFAOYSA-N 0 0 406.446 1.901 50 5 HDBARN Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])cc1C ZINC000102592317 560817561 /nfs/dbraw/zinc/81/75/61/560817561.db2.gz GJLVFBYNYMDACS-OKILXGFUSA-N 0 0 417.418 1.869 50 5 HDBARN C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000105114464 560861656 /nfs/dbraw/zinc/86/16/56/560861656.db2.gz SUHLTYURFCLCCA-SGMGOOAPSA-N 0 0 417.418 1.817 50 5 HDBARN CC(=O)O[C@@H]1CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105504639 560873700 /nfs/dbraw/zinc/87/37/00/560873700.db2.gz FFSQKNAKTIJTOA-XWSJACJDSA-N 0 0 422.390 1.109 50 5 HDBARN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000049632638 568452699 /nfs/dbraw/zinc/45/26/99/568452699.db2.gz DCAKNOMRQBAGLV-KBPBESRZSA-N 0 0 407.448 1.884 50 5 HDBARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000024772311 568461945 /nfs/dbraw/zinc/46/19/45/568461945.db2.gz UWUIRCYHUHNTQI-VXGBXAGGSA-N 0 0 409.464 1.834 50 5 HDBARN O=c1c2cnn(-c3ccccc3)c2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024832097 568469885 /nfs/dbraw/zinc/46/98/85/568469885.db2.gz DYCPCJOVWPIFGJ-INIZCTEOSA-N 0 0 407.386 1.930 50 5 HDBARN O=C([C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000000752136 568470843 /nfs/dbraw/zinc/47/08/43/568470843.db2.gz TVUZQZKYWYADOX-GOSISDBHSA-N 0 0 409.398 1.661 50 5 HDBARN CC1([N+](=O)[O-])COC2(OC1)c1ccccc1N(CN1CCC3(CC1)OCCO3)C2=O ZINC000019932671 568585677 /nfs/dbraw/zinc/58/56/77/568585677.db2.gz ICOLIIRSCQANIX-UHFFFAOYSA-N 0 0 419.434 1.065 50 5 HDBARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000095450504 568614122 /nfs/dbraw/zinc/61/41/22/568614122.db2.gz JURBLADZJKOUOB-SECBINFHSA-N 0 0 406.258 1.967 50 5 HDBARN COCCOc1cc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)ccn1 ZINC000096008304 568683423 /nfs/dbraw/zinc/68/34/23/568683423.db2.gz QPUNTAOZUVFGLR-LJQANCHMSA-N 0 0 400.391 1.982 50 5 HDBARN O=C(NCCN1CCN(c2ncccn2)CC1)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000096012329 568684727 /nfs/dbraw/zinc/68/47/27/568684727.db2.gz FUZKDCRHYWFULD-UHFFFAOYSA-N 0 0 422.449 1.327 50 5 HDBARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000000899637 568740583 /nfs/dbraw/zinc/74/05/83/568740583.db2.gz JOHSDJCPNUVHSW-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000000899683 568748957 /nfs/dbraw/zinc/74/89/57/568748957.db2.gz COZCEDAUAXZHCZ-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2cnn(C)c2)CC1 ZINC000025305035 568762365 /nfs/dbraw/zinc/76/23/65/568762365.db2.gz HFANGNQEMFLDRB-UHFFFAOYSA-N 0 0 407.452 1.676 50 5 HDBARN Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000022416241 568767615 /nfs/dbraw/zinc/76/76/15/568767615.db2.gz PKZIAHHNKMTSDU-UHFFFAOYSA-N 0 0 406.439 1.712 50 5 HDBARN COc1cc2nc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)oc(=O)c2cc1OC ZINC000001139565 568773749 /nfs/dbraw/zinc/77/37/49/568773749.db2.gz GZRSCVMIOSFAQU-UHFFFAOYSA-N 0 0 411.326 1.910 50 5 HDBARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000002622112 568788103 /nfs/dbraw/zinc/78/81/03/568788103.db2.gz DEXYGZKXLPKUDD-UHFFFAOYSA-N 0 0 411.367 1.438 50 5 HDBARN CCn1cc([N+](=O)[O-])c(C(=O)NCCNC(=O)c2nc(-c3cccs3)no2)n1 ZINC000002733184 568805132 /nfs/dbraw/zinc/80/51/32/568805132.db2.gz XKEPFTJBYOCQSG-UHFFFAOYSA-N 0 0 405.396 1.083 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000002748311 568805984 /nfs/dbraw/zinc/80/59/84/568805984.db2.gz RUCUOHDSPIPEFJ-UHFFFAOYSA-N 0 0 400.391 1.911 50 5 HDBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003228062 568864428 /nfs/dbraw/zinc/86/44/28/568864428.db2.gz DGSSJWKQMBFWBL-UHFFFAOYSA-N 0 0 406.416 1.973 50 5 HDBARN Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000030582994 568873027 /nfs/dbraw/zinc/87/30/27/568873027.db2.gz LJGLGKGEGBZVAY-UHFFFAOYSA-N 0 0 419.385 1.858 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000058026456 568878111 /nfs/dbraw/zinc/87/81/11/568878111.db2.gz OGNJRUIUSFILOI-UHFFFAOYSA-N 0 0 423.407 1.911 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@H](O)COCC1CC1 ZINC000058157316 568893571 /nfs/dbraw/zinc/89/35/71/568893571.db2.gz BZRJNOKTWHRUDZ-HNNXBMFYSA-N 0 0 413.496 1.969 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000058245828 568905049 /nfs/dbraw/zinc/90/50/49/568905049.db2.gz YIQLNODKZIYULO-UHFFFAOYSA-N 0 0 420.447 1.074 50 5 HDBARN C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157459 568946925 /nfs/dbraw/zinc/94/69/25/568946925.db2.gz IJTIAMMDASPHNP-OBWXAGNPSA-N 0 0 400.387 1.740 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COc2cc(Cl)ccc2Cl)c1=O ZINC000012766547 568948542 /nfs/dbraw/zinc/94/85/42/568948542.db2.gz MQSREPWPXLQSEP-JTQLQIEISA-N 0 0 402.190 1.602 50 5 HDBARN CCOC(=O)CN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000084765649 568958532 /nfs/dbraw/zinc/95/85/32/568958532.db2.gz DWVAMEOKBZEZCR-UHFFFAOYSA-N 0 0 401.441 1.005 50 5 HDBARN C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCC(C)CC1 ZINC000012783052 568958598 /nfs/dbraw/zinc/95/85/98/568958598.db2.gz QVFAWNSXUPRAQF-STQMWFEESA-N 0 0 417.418 1.770 50 5 HDBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCOCCO2 ZINC000006073741 568992636 /nfs/dbraw/zinc/99/26/36/568992636.db2.gz MJNATMZXGBNIER-UHFFFAOYSA-N 0 0 414.411 1.391 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c1 ZINC000015882312 569018965 /nfs/dbraw/zinc/01/89/65/569018965.db2.gz QWXNHPCNBZKXOS-UHFFFAOYSA-N 0 0 418.479 1.496 50 5 HDBARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc([N+](=O)[O-])cc1 ZINC000015883800 569019254 /nfs/dbraw/zinc/01/92/54/569019254.db2.gz GWRCJYKAFARRCY-UHFFFAOYSA-N 0 0 402.432 1.979 50 5 HDBARN O=c1cc(CN2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)nc2ccccn12 ZINC000012912630 569021891 /nfs/dbraw/zinc/02/18/91/569021891.db2.gz OLIBYUIJEUNGSC-UHFFFAOYSA-N 0 0 419.445 1.728 50 5 HDBARN COc1ccc(NC(=S)NC(=O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000016383723 569040153 /nfs/dbraw/zinc/04/01/53/569040153.db2.gz GYRAUZDAAJXZNC-UHFFFAOYSA-N 0 0 414.399 1.713 50 5 HDBARN CN(CCc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000006911119 569180856 /nfs/dbraw/zinc/18/08/56/569180856.db2.gz VGAFKURZWARGFH-UHFFFAOYSA-N 0 0 406.464 1.690 50 5 HDBARN CCOc1nn(CCCNS(=O)(=O)c2cnn(C(F)F)c2C)cc1[N+](=O)[O-] ZINC000036614743 569206721 /nfs/dbraw/zinc/20/67/21/569206721.db2.gz GFXHMIVWFGGSJQ-UHFFFAOYSA-N 0 0 408.387 1.459 50 5 HDBARN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000170604983 569244502 /nfs/dbraw/zinc/24/45/02/569244502.db2.gz AXHSEHOUCKEHTQ-JTQLQIEISA-N 0 0 405.392 1.464 50 5 HDBARN CC(C)Cn1c(SCCn2cc([N+](=O)[O-])ccc2=O)nnc1N1CCOCC1 ZINC000089856669 569267437 /nfs/dbraw/zinc/26/74/37/569267437.db2.gz QMKNNZXTJSZHPL-UHFFFAOYSA-N 0 0 408.484 1.633 50 5 HDBARN Cc1nn(Cn2ccc(C(=O)N3NC(C)=C[C@]3(O)C(F)(F)F)n2)c(C)c1[N+](=O)[O-] ZINC000017090236 569274635 /nfs/dbraw/zinc/27/46/35/569274635.db2.gz LJJHBJLZSIOGJR-AWEZNQCLSA-N 0 0 415.332 1.583 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CNC(=O)c1cccc(C)c1 ZINC000007735342 569304654 /nfs/dbraw/zinc/30/46/54/569304654.db2.gz RNHCDIFXWXQUQY-UHFFFAOYSA-N 0 0 401.375 1.824 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(NCCOCCO)c([N+](=O)[O-])c2)c1 ZINC000008990063 569391117 /nfs/dbraw/zinc/39/11/17/569391117.db2.gz SLRVCGXZRCZJNO-UHFFFAOYSA-N 0 0 411.392 1.757 50 5 HDBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019681844 569428426 /nfs/dbraw/zinc/42/84/26/569428426.db2.gz JLVWMPLTBPODKN-UHFFFAOYSA-N 0 0 405.432 1.830 50 5 HDBARN Cc1nn(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C)c1[N+](=O)[O-] ZINC000008690408 571101930 /nfs/dbraw/zinc/10/19/30/571101930.db2.gz YUBWYLKDYMKSSA-UHFFFAOYSA-N 0 0 415.859 1.951 50 5 HDBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1CC(F)(F)F ZINC000040050073 571144019 /nfs/dbraw/zinc/14/40/19/571144019.db2.gz ZYGYKWGFBZIOBS-UHFFFAOYSA-N 0 0 400.313 1.719 50 5 HDBARN CCCS(=O)(=O)N1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000040094735 571161968 /nfs/dbraw/zinc/16/19/68/571161968.db2.gz CHRUAXCPBNLHBA-UHFFFAOYSA-N 0 0 421.479 1.715 50 5 HDBARN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000040115825 571173342 /nfs/dbraw/zinc/17/33/42/571173342.db2.gz SZEZVBBKKUSWNA-KBPBESRZSA-N 0 0 403.826 1.200 50 5 HDBARN Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)o1 ZINC000009223679 571238661 /nfs/dbraw/zinc/23/86/61/571238661.db2.gz RLPQHXCQUJFHGT-UHFFFAOYSA-N 0 0 409.424 1.634 50 5 HDBARN O=C(Cn1nnc(-c2cccs2)n1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000009255385 571243507 /nfs/dbraw/zinc/24/35/07/571243507.db2.gz VLSAASYDAYZMQF-UHFFFAOYSA-N 0 0 403.376 1.920 50 5 HDBARN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NCC(F)(F)F ZINC000009630659 571274666 /nfs/dbraw/zinc/27/46/66/571274666.db2.gz SMMHOSHXAXJQFR-UHFFFAOYSA-N 0 0 420.329 1.105 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000001128867 132238348 /nfs/dbraw/zinc/23/83/48/132238348.db2.gz KEBJWSTXNPEXCK-UHFFFAOYSA-N 0 0 401.427 1.505 50 5 HDBARN CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004669543 132281884 /nfs/dbraw/zinc/28/18/84/132281884.db2.gz VGMILDVSDOQREH-INIZCTEOSA-N 0 0 424.523 1.695 50 5 HDBARN O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1 ZINC000009013334 132335032 /nfs/dbraw/zinc/33/50/32/132335032.db2.gz JSJSKRCLMRNADM-KRWDZBQOSA-N 0 0 421.413 1.199 50 5 HDBARN O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009087035 132335532 /nfs/dbraw/zinc/33/55/32/132335532.db2.gz RWJUGDCVYNMWRQ-UHFFFAOYSA-N 0 0 411.374 1.626 50 5 HDBARN Cc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000012644314 132365745 /nfs/dbraw/zinc/36/57/45/132365745.db2.gz WYMDPJWNTAXOMV-UHFFFAOYSA-N 0 0 407.434 1.906 50 5 HDBARN CNS(=O)(=O)c1ccc(N2CCN(Cc3c(C)noc3C)CC2)c([N+](=O)[O-])c1 ZINC000032911798 522291795 /nfs/dbraw/zinc/29/17/95/522291795.db2.gz JUQMEIXTQPPGCZ-UHFFFAOYSA-N 0 0 409.468 1.430 50 5 HDBARN CNc1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000028324440 522583844 /nfs/dbraw/zinc/58/38/44/522583844.db2.gz QHXZAQQSACMKKO-UHFFFAOYSA-N 0 0 403.483 1.797 50 5 HDBARN O=c1c2cc3c(ccn(Cc4ccco4)c3=O)nc2ccn1CCN1CCOCC1 ZINC000030903283 558744484 /nfs/dbraw/zinc/74/44/84/558744484.db2.gz AILKNHAISHSQIJ-UHFFFAOYSA-N 0 0 406.442 1.685 50 5 HDBARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@]2(c2cccc([N+](=O)[O-])c2)NN1 ZINC000004719443 558916507 /nfs/dbraw/zinc/91/65/07/558916507.db2.gz LUFWWQPZKNTNBC-FOIQADDNSA-N 0 0 408.370 1.502 50 5 HDBARN COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)c1 ZINC000023108059 559010841 /nfs/dbraw/zinc/01/08/41/559010841.db2.gz CMHFMIWULAKMGB-GOSISDBHSA-N 0 0 421.475 1.955 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023134471 559018094 /nfs/dbraw/zinc/01/80/94/559018094.db2.gz BESSSVNLUOXQAL-UHFFFAOYSA-N 0 0 401.358 1.261 50 5 HDBARN COCCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c1nc1ccccn1c2=O ZINC000100425698 559135099 /nfs/dbraw/zinc/13/50/99/559135099.db2.gz UPLXHYOHPJCVMM-AWEZNQCLSA-N 0 0 411.462 1.074 50 5 aggregator HDBARN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccncc2)c1=N ZINC000100851344 559141299 /nfs/dbraw/zinc/14/12/99/559141299.db2.gz GPFHCYCKPFLKCW-UHFFFAOYSA-N 0 0 418.457 1.338 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000014236983 559160834 /nfs/dbraw/zinc/16/08/34/559160834.db2.gz XUYKMFMIFRIFJD-YPMHNXCESA-N 0 0 414.436 1.184 50 5 HDBARN COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1ccc(C)cn1c2=O ZINC000100584586 559236244 /nfs/dbraw/zinc/23/62/44/559236244.db2.gz CITALOZAUFFPCN-UHFFFAOYSA-N 0 0 407.430 1.606 50 5 HDBARN CCOC(=O)c1cc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cc([N+](=O)[O-])c1 ZINC000062580344 560631435 /nfs/dbraw/zinc/63/14/35/560631435.db2.gz WTCYCAJWNCNIMZ-UHFFFAOYSA-N 0 0 414.374 1.239 50 5 HDBARN O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 ZINC000583652727 560779453 /nfs/dbraw/zinc/77/94/53/560779453.db2.gz YRYIHJYVADVQDZ-ZBFHGGJFSA-N 0 0 421.417 1.051 50 5 biogenic HDBARN CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101455814 560795190 /nfs/dbraw/zinc/79/51/90/560795190.db2.gz VMADADGXFCFRGO-ZDUSSCGKSA-N 0 0 403.420 1.765 50 5 HDBARN Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])cc1C ZINC000102592321 560817535 /nfs/dbraw/zinc/81/75/35/560817535.db2.gz GJLVFBYNYMDACS-ZIAGYGMSSA-N 0 0 417.418 1.869 50 5 HDBARN COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000095444639 568611502 /nfs/dbraw/zinc/61/15/02/568611502.db2.gz KPMHTBOSEWIQNR-UHFFFAOYSA-N 0 0 405.432 1.715 50 5 HDBARN CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000095462287 568621316 /nfs/dbraw/zinc/62/13/16/568621316.db2.gz GEJWJAFLTBDYAG-GFCCVEGCSA-N 0 0 404.876 1.831 50 5 HDBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000021469779 568702766 /nfs/dbraw/zinc/70/27/66/568702766.db2.gz SFKHSUQZRTUXTL-CYBMUJFWSA-N 0 0 406.372 1.689 50 5 HDBARN CCc1ccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000000941644 568753265 /nfs/dbraw/zinc/75/32/65/568753265.db2.gz FYKOMQSMIWECLQ-UHFFFAOYSA-N 0 0 411.370 1.935 50 5 HDBARN Cn1cc(Br)c(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000002760116 568806693 /nfs/dbraw/zinc/80/66/93/568806693.db2.gz PKGCYCIAAFAGQT-UHFFFAOYSA-N 0 0 422.239 1.689 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2n[nH]c(C(=O)NCc3ccco3)c2C1 ZINC000034797068 568827442 /nfs/dbraw/zinc/82/74/42/568827442.db2.gz MNKXXPBMHCIYSK-UHFFFAOYSA-N 0 0 409.402 1.968 50 5 HDBARN CNC(=O)c1ccc(N(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000057994878 568873254 /nfs/dbraw/zinc/87/32/54/568873254.db2.gz ZHMNRLLRDNTUMW-OAHLLOKOSA-N 0 0 417.418 1.697 50 5 HDBARN NC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003299352 568875819 /nfs/dbraw/zinc/87/58/19/568875819.db2.gz YHNHDXUYQJUXRE-UHFFFAOYSA-N 0 0 405.750 1.831 50 5 HDBARN O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2 ZINC000004140950 568946368 /nfs/dbraw/zinc/94/63/68/568946368.db2.gz YHELSHISKYMUTG-UHFFFAOYSA-N 0 0 401.412 1.449 50 5 HDBARN CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000012769119 568950182 /nfs/dbraw/zinc/95/01/82/568950182.db2.gz VBEGKVZKXYCFDA-HNNXBMFYSA-N 0 0 405.432 1.465 50 5 HDBARN CC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000006313112 569040101 /nfs/dbraw/zinc/04/01/01/569040101.db2.gz LTDXUFQLSMVPOH-UHFFFAOYSA-N 0 0 404.828 1.781 50 5 HDBARN Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001858213 569056583 /nfs/dbraw/zinc/05/65/83/569056583.db2.gz WGTOJUNLOQTWLT-UHFFFAOYSA-N 0 0 413.386 1.175 50 5 HDBARN O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035870448 569063993 /nfs/dbraw/zinc/06/39/93/569063993.db2.gz IZCKFKLJNHKYKP-PKOBYXMFSA-N 0 0 408.462 1.779 50 5 HDBARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000035894427 569065161 /nfs/dbraw/zinc/06/51/61/569065161.db2.gz UDQKQXKXUGWKPG-ICSRJNTNSA-N 0 0 402.495 1.965 50 5 HDBARN CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000027053894 569072197 /nfs/dbraw/zinc/07/21/97/569072197.db2.gz RCUXBJZOXPKJED-UHFFFAOYSA-N 0 0 410.333 1.115 50 5 HDBARN NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444090846 569283919 /nfs/dbraw/zinc/28/39/19/569283919.db2.gz SPOCYZTZKNSMLJ-NSHDSACASA-N 0 0 421.425 1.853 50 5 HDBARN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000002115116 569283992 /nfs/dbraw/zinc/28/39/92/569283992.db2.gz JDELIMGEDZMALB-CYBMUJFWSA-N 0 0 400.391 1.909 50 5 HDBARN COc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)ncc1C(=O)NCC1CC1 ZINC000037523311 569302952 /nfs/dbraw/zinc/30/29/52/569302952.db2.gz YICMRUPMSZUDQT-UHFFFAOYSA-N 0 0 412.450 1.860 50 5 HDBARN NS(=O)(=O)c1ccc(CNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000009288403 569392134 /nfs/dbraw/zinc/39/21/34/569392134.db2.gz WKZSHGONLMOPDT-UHFFFAOYSA-N 0 0 421.460 1.527 50 5 HDBARN CCOC(=O)[C@H](C)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000079021999 569396381 /nfs/dbraw/zinc/39/63/81/569396381.db2.gz CVKGYDVGLODCTI-CYBMUJFWSA-N 0 0 414.484 1.142 50 5 HDBARN Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCc2ccc(Br)o2)n1 ZINC000012446654 569401483 /nfs/dbraw/zinc/40/14/83/569401483.db2.gz BOGBZGUSPSOLDY-UHFFFAOYSA-N 0 0 411.172 1.817 50 5 HDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000040115823 571173374 /nfs/dbraw/zinc/17/33/74/571173374.db2.gz SZEZVBBKKUSWNA-KGLIPLIRSA-N 0 0 403.826 1.200 50 5 HDBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000009714639 571281412 /nfs/dbraw/zinc/28/14/12/571281412.db2.gz JXFQPKAZFFRTRU-UHFFFAOYSA-N 0 0 421.383 1.809 50 5 HDBARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000009983737 571293498 /nfs/dbraw/zinc/29/34/98/571293498.db2.gz SIMFVJFUGWMMME-UHFFFAOYSA-N 0 0 424.435 1.575 50 5 HDBARN CS(=O)(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000009469926 132340342 /nfs/dbraw/zinc/34/03/42/132340342.db2.gz UEHZXDNSZZGVJV-CYBMUJFWSA-N 0 0 412.468 1.009 50 5 HDBARN CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 ZINC000009971876 132344530 /nfs/dbraw/zinc/34/45/30/132344530.db2.gz SOFFJSKIDNCZRQ-UHFFFAOYSA-N 0 0 409.468 1.728 50 5 HDBARN NC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c([N+](=O)[O-])c1 ZINC000012537088 132362156 /nfs/dbraw/zinc/36/21/56/132362156.db2.gz PTKMVTFHBPEWBT-UHFFFAOYSA-N 0 0 408.418 1.024 50 5 HDBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)c1C ZINC000012783911 132367206 /nfs/dbraw/zinc/36/72/06/132367206.db2.gz CUVBQVRFKVNEFG-UHFFFAOYSA-N 0 0 406.464 1.922 50 5 HDBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012928573 132450093 /nfs/dbraw/zinc/45/00/93/132450093.db2.gz PBBNXSZLHAQSTI-CYBMUJFWSA-N 0 0 410.438 1.421 50 5 HDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000032818924 526087666 /nfs/dbraw/zinc/08/76/66/526087666.db2.gz SWURQZKPEXKOCW-QGZVFWFLSA-N 0 0 404.404 1.759 50 5 HDBARN CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1 ZINC000040398897 526205244 /nfs/dbraw/zinc/20/52/44/526205244.db2.gz MGXHCOHHPQGTAD-UHFFFAOYSA-N 0 0 403.427 1.925 50 5 HDBARN COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2cccnc2)c1=N ZINC000002315802 557336640 /nfs/dbraw/zinc/33/66/40/557336640.db2.gz UDQGYSAZGSMUGE-UHFFFAOYSA-N 0 0 418.457 1.257 50 5 HDBARN COCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O ZINC000229903386 558427181 /nfs/dbraw/zinc/42/71/81/558427181.db2.gz CKRMRMHVHBBTKU-HNAYVOBHSA-N 0 0 402.407 1.221 50 5 HDBARN COc1ccc(Cn2ccc3nc4ccn(-c5nc[nH]n5)c(=O)c4cc3c2=O)cc1 ZINC000036125566 558797927 /nfs/dbraw/zinc/79/79/27/558797927.db2.gz XNUJQLLOORHMDB-UHFFFAOYSA-N 0 0 400.398 1.876 50 5 HDBARN NC(=O)CO[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000072312702 558838066 /nfs/dbraw/zinc/83/80/66/558838066.db2.gz BIZRQIWZNXQWEK-LLVKDONJSA-N 0 0 404.345 1.518 50 5 HDBARN O=C(Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2)NC[C@@H]1CCCO1 ZINC000023139168 559019509 /nfs/dbraw/zinc/01/95/09/559019509.db2.gz JRXPEUGHARRCAT-JTQLQIEISA-N 0 0 421.435 1.679 50 5 HDBARN O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000004730855 559023145 /nfs/dbraw/zinc/02/31/45/559023145.db2.gz AVLQBAGVOYCPOA-UHFFFAOYSA-N 0 0 405.432 1.507 50 5 HDBARN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccc(F)cc4c(=O)c3c2)C1 ZINC000585140085 559051395 /nfs/dbraw/zinc/05/13/95/559051395.db2.gz BEPVLDOIWBULST-CYBMUJFWSA-N 0 0 403.435 1.714 50 5 HDBARN NC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000100091160 559136118 /nfs/dbraw/zinc/13/61/18/559136118.db2.gz UHIABZHZENIMJB-HUUCEWRRSA-N 0 0 400.435 1.976 50 5 HDBARN Cn1c(NCCCNc2ccc(Cl)cc2[N+](=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000005223444 560545376 /nfs/dbraw/zinc/54/53/76/560545376.db2.gz VUGVRRIEUJKILO-UHFFFAOYSA-N 0 0 421.845 1.446 50 5 biogenic HDBARN Cc1ccc(S(=O)(=O)c2cc3c(nc4ccccn4c3=O)n(CCO)c2=N)cc1C ZINC000100942198 560763399 /nfs/dbraw/zinc/76/33/99/560763399.db2.gz OHQUBTYZGZRDLL-UHFFFAOYSA-N 0 0 424.482 1.571 50 5 HDBARN COC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc3c(c2)OCO3)c1=N ZINC000101295955 560790991 /nfs/dbraw/zinc/79/09/91/560790991.db2.gz CBQXAKRRGSWJLD-UHFFFAOYSA-N 0 0 404.382 1.692 50 5 HDBARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1[N+](=O)[O-] ZINC000024485028 560839837 /nfs/dbraw/zinc/83/98/37/560839837.db2.gz YQUPIOYSOWZWMD-UHFFFAOYSA-N 0 0 418.431 1.276 50 5 HDBARN Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000048306393 568436263 /nfs/dbraw/zinc/43/62/63/568436263.db2.gz ZZXUIPQWUKYGCA-UHFFFAOYSA-N 0 0 419.463 1.912 50 5 HDBARN CCOC(=O)C1=C(COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])NC(=O)N[C@@H]1C ZINC000024755616 568461334 /nfs/dbraw/zinc/46/13/34/568461334.db2.gz ITEKABPKOYIIRB-SECBINFHSA-N 0 0 423.378 1.287 50 5 HDBARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000024772332 568461941 /nfs/dbraw/zinc/46/19/41/568461941.db2.gz UWUIRCYHUHNTQI-RYUDHWBXSA-N 0 0 409.464 1.834 50 5 HDBARN CNc1cc(N2CCC[C@@H]2CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])ncn1 ZINC000095467711 568624835 /nfs/dbraw/zinc/62/48/35/568624835.db2.gz PBVWPINEJKQMIN-LLVKDONJSA-N 0 0 407.456 1.155 50 5 HDBARN O=[N+]([O-])c1ccc(N2CCN(Cn3nnn(C[C@H]4CCCO4)c3=S)CC2)cc1 ZINC000025059865 568742348 /nfs/dbraw/zinc/74/23/48/568742348.db2.gz NQGRSBLGWJHTIA-MRXNPFEDSA-N 0 0 405.484 1.676 50 5 HDBARN CCOC(=O)N1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000021970652 568764144 /nfs/dbraw/zinc/76/41/44/568764144.db2.gz LRZNPQJOIFEWCQ-UHFFFAOYSA-N 0 0 406.395 1.057 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCN1CCOCC1 ZINC000025514399 568773665 /nfs/dbraw/zinc/77/36/65/568773665.db2.gz KPOPGEAUGUGOPH-UHFFFAOYSA-N 0 0 412.512 1.904 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(CCO)CC1 ZINC000015209318 568818640 /nfs/dbraw/zinc/81/86/40/568818640.db2.gz DRURKMYNECQJBE-UHFFFAOYSA-N 0 0 412.512 1.274 50 5 HDBARN COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000057439455 568836926 /nfs/dbraw/zinc/83/69/26/568836926.db2.gz RXKXBDPHQQECFH-UHFFFAOYSA-N 0 0 401.471 1.738 50 5 HDBARN Cc1c(CCOC(=O)c2ccc([N+](=O)[O-])o2)sc[n+]1CCCS(=O)(=O)[O-] ZINC000003214684 568862375 /nfs/dbraw/zinc/86/23/75/568862375.db2.gz RXSQQGVZMLPTNM-UHFFFAOYSA-O 0 0 405.430 1.523 50 5 HDBARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003307299 568877552 /nfs/dbraw/zinc/87/75/52/568877552.db2.gz HFPIWLYDAHMHPB-NSHDSACASA-N 0 0 424.460 1.187 50 5 HDBARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012640941 568885326 /nfs/dbraw/zinc/88/53/26/568885326.db2.gz BPJNULDJASFUES-GJZGRUSLSA-N 0 0 402.359 1.456 50 5 HDBARN COc1cccc(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)c1 ZINC000003624452 568920709 /nfs/dbraw/zinc/92/07/09/568920709.db2.gz DNTBXRZEHKGRKC-UHFFFAOYSA-N 0 0 404.412 1.103 50 5 HDBARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000083952369 568927375 /nfs/dbraw/zinc/92/73/75/568927375.db2.gz GZFFZXPOADJTFW-UHFFFAOYSA-N 0 0 417.451 1.927 50 5 HDBARN O=C(CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004207988 568951568 /nfs/dbraw/zinc/95/15/68/568951568.db2.gz ROJRGBOTBCBWAG-GGNLRSJOSA-N 0 0 400.387 1.742 50 5 HDBARN O=CN1CCN([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000035146264 569000556 /nfs/dbraw/zinc/00/05/56/569000556.db2.gz BXRIGYXJWOMXNY-SFHVURJKSA-N 0 0 404.423 1.197 50 5 HDBARN C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000006097866 569001380 /nfs/dbraw/zinc/00/13/80/569001380.db2.gz WJCLGZQFNXYALI-SNVBAGLBSA-N 0 0 409.782 1.819 50 5 HDBARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000012893552 569020147 /nfs/dbraw/zinc/02/01/47/569020147.db2.gz RXASUQCXDJVDDD-ZYHUDNBSSA-N 0 0 418.855 1.829 50 5 HDBARN COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000015919522 569021500 /nfs/dbraw/zinc/02/15/00/569021500.db2.gz YWUSBRMGCKAOGO-UHFFFAOYSA-N 0 0 421.431 1.877 50 5 HDBARN CNc1ccc(S(=O)(=O)NCC(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000015934674 569022955 /nfs/dbraw/zinc/02/29/55/569022955.db2.gz NVNAZCGURYMNJM-UHFFFAOYSA-N 0 0 406.464 1.664 50 5 HDBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015946820 569024424 /nfs/dbraw/zinc/02/44/24/569024424.db2.gz QMWUDFNDBFTCOL-UHFFFAOYSA-N 0 0 423.422 1.936 50 5 HDBARN NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000016044508 569028249 /nfs/dbraw/zinc/02/82/49/569028249.db2.gz MLVKQJJITMPSGM-UHFFFAOYSA-N 0 0 419.868 1.417 50 5 HDBARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000089486455 569061013 /nfs/dbraw/zinc/06/10/13/569061013.db2.gz VWKKHWXDFJUNIB-VIFPVBQESA-N 0 0 406.258 1.967 50 5 HDBARN CCN1C2=C(C(=O)N([C@H](C)C(=O)NC3CC3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035965504 569069181 /nfs/dbraw/zinc/06/91/81/569069181.db2.gz ZEFMECKYXXXQIO-PIGZYNQJSA-N 0 0 413.434 1.444 50 5 HDBARN COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000016676091 569070196 /nfs/dbraw/zinc/07/01/96/569070196.db2.gz NEVZMOXOPLRTIA-XNTDXEJSSA-N 0 0 415.402 1.491 50 5 HDBARN CCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000065566096 569234342 /nfs/dbraw/zinc/23/43/42/569234342.db2.gz LNGOKYJWQFAIMS-CYBMUJFWSA-N 0 0 407.452 1.324 50 5 HDBARN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(N2CCn3ccnc3C2)CC1 ZINC000089780859 569264132 /nfs/dbraw/zinc/26/41/32/569264132.db2.gz LIKHFLJDOQFSNQ-UHFFFAOYSA-N 0 0 422.449 1.492 50 5 HDBARN Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000037355756 569271747 /nfs/dbraw/zinc/27/17/47/569271747.db2.gz MOKCBFGBANNBIA-CQSZACIVSA-N 0 0 416.463 2.000 50 5 HDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000002087571 569277964 /nfs/dbraw/zinc/27/79/64/569277964.db2.gz WRWRDSDAJVFSOE-UHFFFAOYSA-N 0 0 412.402 1.959 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H]1CCS(=O)(=O)C1 ZINC000009788926 569394074 /nfs/dbraw/zinc/39/40/74/569394074.db2.gz SDRYZIIIHHRCEI-GFCCVEGCSA-N 0 0 403.482 1.368 50 5 HDBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000010188050 569395307 /nfs/dbraw/zinc/39/53/07/569395307.db2.gz INTVCRZAZHLARW-UHFFFAOYSA-N 0 0 405.388 1.777 50 5 HDBARN COc1cc(CNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc(OC)c1OC ZINC000012418757 569400962 /nfs/dbraw/zinc/40/09/62/569400962.db2.gz VWJZOMRDKCMQBC-UHFFFAOYSA-N 0 0 418.366 1.178 50 5 HDBARN Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1[N+](=O)[O-] ZINC000019799038 569430318 /nfs/dbraw/zinc/43/03/18/569430318.db2.gz IDMPWXIEBCPKCG-UHFFFAOYSA-N 0 0 406.468 1.595 50 5 HDBARN O=C(CCCn1cc([N+](=O)[O-])cn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019874312 569432291 /nfs/dbraw/zinc/43/22/91/569432291.db2.gz GNMPGFLRLVMBCI-UHFFFAOYSA-N 0 0 401.423 1.645 50 5 HDBARN Cc1nn(-c2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000019907439 569433213 /nfs/dbraw/zinc/43/32/13/569433213.db2.gz HTPLFYDCUHOOBC-UHFFFAOYSA-N 0 0 409.446 1.717 50 5 HDBARN CC(C)CN(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008825927 571122164 /nfs/dbraw/zinc/12/21/64/571122164.db2.gz BPHHCZHIQMMFFG-CYBMUJFWSA-N 0 0 413.452 1.006 50 5 HDBARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cccc1[N+](=O)[O-] ZINC000040106949 571167291 /nfs/dbraw/zinc/16/72/91/571167291.db2.gz JFVVNOCBPTZFKY-UHFFFAOYSA-N 0 0 418.431 1.276 50 5 HDBARN Cn1c(=O)n(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)c2ccc(C(F)(F)F)nc21 ZINC000040127909 571179518 /nfs/dbraw/zinc/17/95/18/571179518.db2.gz PHYAHCKRDWBIED-UHFFFAOYSA-N 0 0 423.307 1.661 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000245284918 571222976 /nfs/dbraw/zinc/22/29/76/571222976.db2.gz UWZSQEJSFNNEGX-CRPGXEFLSA-N 0 0 423.447 1.928 50 5 HDBARN C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2[C@@H](C)O1 ZINC000245328577 571224878 /nfs/dbraw/zinc/22/48/78/571224878.db2.gz VIXMBQCARUTQKT-UEKVPHQBSA-N 0 0 402.407 1.170 50 5 HDBARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000009713865 571281403 /nfs/dbraw/zinc/28/14/03/571281403.db2.gz MZCKPDOSUKQMFN-UHFFFAOYSA-N 0 0 407.404 1.641 50 5 HDBARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2N)cc1 ZINC000009781732 571285261 /nfs/dbraw/zinc/28/52/61/571285261.db2.gz RIEZQJWJACOJAE-UHFFFAOYSA-N 0 0 418.387 1.838 50 5 HDBARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009959896 571292121 /nfs/dbraw/zinc/29/21/21/571292121.db2.gz CFHRRNFHNRPMHP-UHFFFAOYSA-N 0 0 423.341 1.804 50 5 HDBARN COC(=O)c1sc(NC(=O)COc2cccnc2[N+](=O)[O-])c(C(=O)OC)c1C ZINC000009963540 571292986 /nfs/dbraw/zinc/29/29/86/571292986.db2.gz SIOJTOTVAFJGEF-UHFFFAOYSA-N 0 0 409.376 1.950 50 5 HDBARN COc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000003365320 132265351 /nfs/dbraw/zinc/26/53/51/132265351.db2.gz VVQGDZDEINYQBC-UHFFFAOYSA-N 0 0 415.358 1.754 50 5 HDBARN O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004676849 132282272 /nfs/dbraw/zinc/28/22/72/132282272.db2.gz WVZUFZTVXJWXCF-UHFFFAOYSA-N 0 0 403.460 1.858 50 5 HDBARN C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@@H]2C1 ZINC000006669703 132312802 /nfs/dbraw/zinc/31/28/02/132312802.db2.gz KLLYTEPSLGRWKC-NHYWBVRUSA-N 0 0 402.476 1.958 50 5 HDBARN COC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000012775451 132367038 /nfs/dbraw/zinc/36/70/38/132367038.db2.gz YBCKLQVQEPQICZ-UHFFFAOYSA-N 0 0 406.420 1.287 50 5 HDBARN COCCCNC(=O)c1[nH]nc2c1CN(C(=O)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000040426782 523369976 /nfs/dbraw/zinc/36/99/76/523369976.db2.gz XBPHNJAEEPUDKZ-UHFFFAOYSA-N 0 0 401.423 1.212 50 5 HDBARN CS(=O)(=O)N1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000032906099 525164466 /nfs/dbraw/zinc/16/44/66/525164466.db2.gz AZEGIRBGFCJPNM-UHFFFAOYSA-N 0 0 413.499 1.649 50 5 HDBARN O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)NCc1ccc(F)cc1 ZINC000012523253 527547579 /nfs/dbraw/zinc/54/75/79/527547579.db2.gz VCTVJRBVFNQOKL-UHFFFAOYSA-N 0 0 415.425 1.882 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000016425213 558790764 /nfs/dbraw/zinc/79/07/64/558790764.db2.gz NDTXQVHAGHKFBV-UHFFFAOYSA-N 0 0 408.436 1.855 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O ZINC000013855986 558886814 /nfs/dbraw/zinc/88/68/14/558886814.db2.gz HMFUXVCQGYQWII-UHFFFAOYSA-N 0 0 407.448 1.728 50 5 HDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000334160404 558979774 /nfs/dbraw/zinc/97/97/74/558979774.db2.gz DCCALRBKHCANFY-UHFFFAOYSA-N 0 0 419.868 1.505 50 5 HDBARN N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1 ZINC000100642232 559137232 /nfs/dbraw/zinc/13/72/32/559137232.db2.gz GGYAXPJADJBMLE-LSDHHAIUSA-N 0 0 423.473 1.216 50 5 HDBARN Cc1ccc(S(=O)(=O)c2cc3c(nc4c(C)cccn4c3=O)n(CCO)c2=N)cc1 ZINC000100863320 559141438 /nfs/dbraw/zinc/14/14/38/559141438.db2.gz HULPSEAMJDHRTM-UHFFFAOYSA-N 0 0 424.482 1.571 50 5 HDBARN COc1ccc(CCNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(C)c2=N)cc1 ZINC000101155690 559143590 /nfs/dbraw/zinc/14/35/90/559143590.db2.gz KBAXCOIARPRLIL-UHFFFAOYSA-N 0 0 417.469 1.955 50 5 HDBARN CC(C)(C)OC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000023486310 559176270 /nfs/dbraw/zinc/17/62/70/559176270.db2.gz YDUFNBWMPWYOLK-HNNXBMFYSA-N 0 0 401.485 1.077 50 5 HDBARN COCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000005112953 559247021 /nfs/dbraw/zinc/24/70/21/559247021.db2.gz SUYOSARWVAMFLD-UHFFFAOYSA-N 0 0 407.448 1.943 50 5 HDBARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000248319344 559270680 /nfs/dbraw/zinc/27/06/80/559270680.db2.gz QCZPONTWOFZWJL-APHBMKBZSA-N 0 0 415.402 1.806 50 5 HDBARN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000005673188 560774717 /nfs/dbraw/zinc/77/47/17/560774717.db2.gz HPKKNWRCPQYJSR-FMKPAKJESA-N 0 0 411.480 1.774 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C1O ZINC000103965791 560845470 /nfs/dbraw/zinc/84/54/70/560845470.db2.gz KVPGGKDRJGYGJE-HOCLYGCPSA-N 0 0 412.314 1.804 50 5 HDBARN Cc1nccn1-c1cc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000047012683 560879805 /nfs/dbraw/zinc/87/98/05/560879805.db2.gz BLDAPPQGQPPQOX-CYBMUJFWSA-N 0 0 408.418 1.919 50 5 HDBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(N)=O)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000106534870 560892263 /nfs/dbraw/zinc/89/22/63/560892263.db2.gz AEDRUXHQYQPUDY-WJFTUGDTSA-N 0 0 418.409 1.904 50 5 HDBARN COc1ccc(C(=O)N2CCN(CN3c4ccc([N+](=O)[O-])cc4C(=O)C3=O)CC2)cc1 ZINC000048365504 568441809 /nfs/dbraw/zinc/44/18/09/568441809.db2.gz ZXBQEWORBCZTIT-UHFFFAOYSA-N 0 0 424.413 1.548 50 5 HDBARN Cc1ccc2c(c1)c(=O)n(-c1cccc([N+](=O)[O-])c1)c(=O)n2CC(=O)N1CCOCC1 ZINC000096318077 568727041 /nfs/dbraw/zinc/72/70/41/568727041.db2.gz KIOHBIQCGFMMFZ-UHFFFAOYSA-N 0 0 424.413 1.228 50 5 HDBARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000000893110 568740571 /nfs/dbraw/zinc/74/05/71/568740571.db2.gz IQKFEPLHPHAPGH-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN COc1ccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000000941648 568753239 /nfs/dbraw/zinc/75/32/39/568753239.db2.gz DZDNWFBDZLUNNB-UHFFFAOYSA-N 0 0 413.342 1.381 50 5 HDBARN O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1F ZINC000000941639 568753286 /nfs/dbraw/zinc/75/32/86/568753286.db2.gz WUVCQPMHIMTCTO-UHFFFAOYSA-N 0 0 401.306 1.512 50 5 HDBARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000028268151 568783813 /nfs/dbraw/zinc/78/38/13/568783813.db2.gz FKFVTKWQBYVFKD-UHFFFAOYSA-N 0 0 407.452 1.851 50 5 HDBARN O=C(COC(=O)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002923953 568816856 /nfs/dbraw/zinc/81/68/56/568816856.db2.gz HMOCJTZUQRVBTQ-UHFFFAOYSA-N 0 0 416.298 1.655 50 5 HDBARN COC(=O)C(C(=O)OC)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000003883505 568836588 /nfs/dbraw/zinc/83/65/88/568836588.db2.gz OIBQIPRBFBRZOD-UHFFFAOYSA-N 0 0 400.409 1.199 50 5 HDBARN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012530599 568844142 /nfs/dbraw/zinc/84/41/42/568844142.db2.gz GPYPOZKSQLSDIM-RYUDHWBXSA-N 0 0 423.809 1.905 50 5 HDBARN O=C(CN1CCN(Cn2cccc([N+](=O)[O-])c2=O)CC1)Nc1ccccc1Cl ZINC000058161879 568894179 /nfs/dbraw/zinc/89/41/79/568894179.db2.gz XQUXAPPDMYBRLI-UHFFFAOYSA-N 0 0 405.842 1.624 50 5 HDBARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003429320 568901211 /nfs/dbraw/zinc/90/12/11/568901211.db2.gz MXFMBJXWNCJCFS-UHFFFAOYSA-N 0 0 413.342 1.620 50 5 HDBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000059419221 568953072 /nfs/dbraw/zinc/95/30/72/568953072.db2.gz CWKQPFAXFWBENI-UHFFFAOYSA-N 0 0 423.473 1.984 50 5 HDBARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc([N+](=O)[O-])ccc1NCCO ZINC000007979746 568963494 /nfs/dbraw/zinc/96/34/94/568963494.db2.gz GAZAVVNPUSXFOX-UHFFFAOYSA-N 0 0 400.391 1.889 50 5 HDBARN C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000006097858 569001442 /nfs/dbraw/zinc/00/14/42/569001442.db2.gz WJCLGZQFNXYALI-JTQLQIEISA-N 0 0 409.782 1.819 50 5 HDBARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000012865677 569012129 /nfs/dbraw/zinc/01/21/29/569012129.db2.gz BHKCNDGXADTCOU-OAHLLOKOSA-N 0 0 413.452 1.589 50 5 HDBARN CCN(C(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000012893572 569020146 /nfs/dbraw/zinc/02/01/46/569020146.db2.gz RXASUQCXDJVDDD-JQWIXIFHSA-N 0 0 418.855 1.829 50 5 HDBARN O=C1CN(CCO)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000016031401 569027932 /nfs/dbraw/zinc/02/79/32/569027932.db2.gz RHYKTIDFCSCRPA-WIYYLYMNSA-N 0 0 420.425 1.753 50 5 HDBARN COCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000036251538 569120017 /nfs/dbraw/zinc/12/00/17/569120017.db2.gz WASYCKXSLJXMBD-IBGZPJMESA-N 0 0 418.494 1.674 50 5 HDBARN CCOc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1[N+](=O)[O-] ZINC000036614837 569206887 /nfs/dbraw/zinc/20/68/87/569206887.db2.gz GCOIDTHDAVHICM-UHFFFAOYSA-N 0 0 422.414 1.767 50 5 HDBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Br)cn1 ZINC000007448131 569239218 /nfs/dbraw/zinc/23/92/18/569239218.db2.gz JTRXZFVMMLJYPX-UHFFFAOYSA-N 0 0 405.164 1.987 50 5 HDBARN Cn1c(=O)c2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)ccnc2n(C)c1=O ZINC000010217043 569253563 /nfs/dbraw/zinc/25/35/63/569253563.db2.gz VSXLLWFJSSNDQT-UHFFFAOYSA-N 0 0 401.404 1.271 50 5 HDBARN O=C(NCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)NC1CCCCC1 ZINC000089780860 569264205 /nfs/dbraw/zinc/26/42/05/569264205.db2.gz LPLFVXOGJZGXKO-UHFFFAOYSA-N 0 0 401.427 1.537 50 5 HDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000089781043 569264321 /nfs/dbraw/zinc/26/43/21/569264321.db2.gz RFQSBWVGVBAWBN-UHFFFAOYSA-N 0 0 420.403 1.650 50 5 HDBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000007889688 569315281 /nfs/dbraw/zinc/31/52/81/569315281.db2.gz NLOHRQFYDLWGQV-UHFFFAOYSA-N 0 0 419.459 1.648 50 5 HDBARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000002280244 569363796 /nfs/dbraw/zinc/36/37/96/569363796.db2.gz RSKGQOKSNXTJAS-UHFFFAOYSA-N 0 0 405.432 1.750 50 5 HDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002343238 569376499 /nfs/dbraw/zinc/37/64/99/569376499.db2.gz JQSYCRFQGGCESX-UHFFFAOYSA-N 0 0 420.403 1.650 50 5 HDBARN COc1ccc(CCNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)cc1OC ZINC000012371316 569400530 /nfs/dbraw/zinc/40/05/30/569400530.db2.gz JJQCCRYTGYMBLX-UHFFFAOYSA-N 0 0 402.367 1.212 50 5 HDBARN CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000012984767 569405744 /nfs/dbraw/zinc/40/57/44/569405744.db2.gz BKPAAGXCYMVJME-CQSZACIVSA-N 0 0 412.512 1.433 50 5 HDBARN COC[C@@](C)(O)CNC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000078947349 569421871 /nfs/dbraw/zinc/42/18/71/569421871.db2.gz DBDJCNPBZOUISN-KRWDZBQOSA-N 0 0 411.436 1.766 50 5 HDBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000008753017 571112519 /nfs/dbraw/zinc/11/25/19/571112519.db2.gz IFWKAZNLZHQIQE-IBGZPJMESA-N 0 0 411.374 1.099 50 5 HDBARN CCOC(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc(C(=O)OCC)c1 ZINC000008825390 571121969 /nfs/dbraw/zinc/12/19/69/571121969.db2.gz DGANQGSEADUSBA-UHFFFAOYSA-N 0 0 417.374 1.749 50 5 HDBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O ZINC000009085021 571219528 /nfs/dbraw/zinc/21/95/28/571219528.db2.gz BLNCNNVWRABZOW-UHFFFAOYSA-N 0 0 401.356 1.036 50 5 HDBARN Cn1c2nc(N3CCCCC3)n(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O ZINC000009243172 571240992 /nfs/dbraw/zinc/24/09/92/571240992.db2.gz YGFJKHWZAUJYFA-CQSZACIVSA-N 0 0 414.422 1.055 50 5 HDBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000009245178 571241210 /nfs/dbraw/zinc/24/12/10/571241210.db2.gz QONNZRWBJWQSDL-UHFFFAOYSA-N 0 0 415.435 1.081 50 5 HDBARN COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)cc1OC ZINC000009404007 571255161 /nfs/dbraw/zinc/25/51/61/571255161.db2.gz NEXSYLNKYXNJEC-UHFFFAOYSA-N 0 0 412.358 1.704 50 5 HDBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCN(c2ncccn2)CC1 ZINC000009469383 571261562 /nfs/dbraw/zinc/26/15/62/571261562.db2.gz NJQMZZQLPNHZIT-UHFFFAOYSA-N 0 0 418.479 1.496 50 5 HDBARN CC(=O)c1ccc(N2CN=c3sc(=Cc4cccc([N+](=O)[O-])c4)c(=O)n3C2)cc1 ZINC000001182677 132241033 /nfs/dbraw/zinc/24/10/33/132241033.db2.gz VQBQNVFOFVMDJE-ZDLGFXPLSA-N 0 0 408.439 1.904 50 5 HDBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000010192368 132244683 /nfs/dbraw/zinc/24/46/83/132244683.db2.gz XOTBHWHXTXZWCN-UHFFFAOYSA-N 0 0 412.377 1.679 50 5 HDBARN Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)Cc4ccccc4)CC3)cc2n(C)c1=O ZINC000004758720 132288092 /nfs/dbraw/zinc/28/80/92/132288092.db2.gz ZSMWXKRBEHPGCT-UHFFFAOYSA-N 0 0 409.446 1.677 50 5 HDBARN Nc1nc(NCCOCCO)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000005164688 132303635 /nfs/dbraw/zinc/30/36/35/132303635.db2.gz IYJKYHMXLOYAPM-UHFFFAOYSA-N 0 0 416.482 1.847 50 5 HDBARN CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000010901174 132346733 /nfs/dbraw/zinc/34/67/33/132346733.db2.gz IGZCQXPTNROBGQ-UHFFFAOYSA-N 0 0 412.446 1.820 50 5 HDBARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012522278 132361658 /nfs/dbraw/zinc/36/16/58/132361658.db2.gz PIDXATNGABRANO-FQEVSTJZSA-N 0 0 423.473 1.156 50 5 HDBARN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020616783 132470355 /nfs/dbraw/zinc/47/03/55/132470355.db2.gz SNTBDOGJECXYHO-UHFFFAOYSA-N 0 0 423.429 1.337 50 5 HDBARN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000027268358 132490979 /nfs/dbraw/zinc/49/09/79/132490979.db2.gz ZOSCSUIRUQVJHR-UHFFFAOYSA-N 0 0 407.390 1.364 50 5 HDBARN CCOc1ccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000044910311 520909184 /nfs/dbraw/zinc/90/91/84/520909184.db2.gz QNKGLBFCJZXMRI-UHFFFAOYSA-N 0 0 408.436 1.634 50 5 HDBARN COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000032895552 525073613 /nfs/dbraw/zinc/07/36/13/525073613.db2.gz HRTXEKTYAILTGN-QGZVFWFLSA-N 0 0 421.475 1.955 50 5 HDBARN Cc1ccc2c(c1)oc1cc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc1c2=O ZINC000041128036 526220055 /nfs/dbraw/zinc/22/00/55/526220055.db2.gz DAPANICJJXNENL-CYBMUJFWSA-N 0 0 401.440 1.937 50 5 HDBARN Cn1c(=O)c(Br)c(Br)c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000000704331 557063268 /nfs/dbraw/zinc/06/32/68/557063268.db2.gz ZWIWVNUDQHCIIM-UHFFFAOYSA-N 0 0 405.002 1.969 50 5 HDBARN CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)N(C)C)ccc21 ZINC000000811941 557087786 /nfs/dbraw/zinc/08/77/86/557087786.db2.gz YILRKLJVLHQXLY-UHFFFAOYSA-N 0 0 410.473 1.447 50 5 HDBARN O=C(COc1cc(O)c2c(c1)oc1ccccc1c2=O)N[C@H]1CCS(=O)(=O)C1 ZINC000013683935 558568263 /nfs/dbraw/zinc/56/82/63/558568263.db2.gz JPTFXZSFCAMMRS-NSHDSACASA-N 0 0 403.412 1.334 50 5 HDBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000032883780 558727259 /nfs/dbraw/zinc/72/72/59/558727259.db2.gz ZRNUDJUFHOIODU-UHFFFAOYSA-N 0 0 411.462 1.711 50 5 HDBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOCC1 ZINC000032980145 558804086 /nfs/dbraw/zinc/80/40/86/558804086.db2.gz NZGYEDOQIUSPCC-CQSZACIVSA-N 0 0 401.872 1.959 50 5 HDBARN CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000023022606 558865146 /nfs/dbraw/zinc/86/51/46/558865146.db2.gz VJDAVDVQCSTQCL-HNNXBMFYSA-N 0 0 424.479 1.900 50 5 HDBARN CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000013856484 558887030 /nfs/dbraw/zinc/88/70/30/558887030.db2.gz OLCHKZBKTKFUMR-UHFFFAOYSA-N 0 0 404.404 1.346 50 5 HDBARN CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)c12 ZINC000033059539 558952551 /nfs/dbraw/zinc/95/25/51/558952551.db2.gz MOYILSFXAISGDF-UHFFFAOYSA-N 0 0 401.335 1.417 50 5 HDBARN CC(C)(C)NS(=O)(=O)c1ccc(NC2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000023078091 558999178 /nfs/dbraw/zinc/99/91/78/558999178.db2.gz ROZSLDNGSOCNSY-UHFFFAOYSA-N 0 0 413.500 1.033 50 5 HDBARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023106828 559010277 /nfs/dbraw/zinc/01/02/77/559010277.db2.gz HFAHLWWEDPAINU-HNNXBMFYSA-N 0 0 404.448 1.785 50 5 HDBARN O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023106825 559010295 /nfs/dbraw/zinc/01/02/95/559010295.db2.gz HFAHLWWEDPAINU-OAHLLOKOSA-N 0 0 404.448 1.785 50 5 HDBARN COc1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000023108178 559010987 /nfs/dbraw/zinc/01/09/87/559010987.db2.gz LPLKDGZALCTHGN-SFHVURJKSA-N 0 0 421.475 1.955 50 5 HDBARN COCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1c(C)cccn1c2=O ZINC000100627997 559137084 /nfs/dbraw/zinc/13/70/84/559137084.db2.gz UANGGHOKKCEYBZ-UHFFFAOYSA-N 0 0 421.457 1.997 50 5 HDBARN Cn1cnc([N+](=O)[O-])c1Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 ZINC000023619168 559178255 /nfs/dbraw/zinc/17/82/55/559178255.db2.gz VWWBHQFMTJRGGT-UHFFFAOYSA-N 0 0 401.408 1.485 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000023895158 559182067 /nfs/dbraw/zinc/18/20/67/559182067.db2.gz SCSRJHUQRXQVCH-UHFFFAOYSA-N 0 0 400.439 1.336 50 5 HDBARN COCCCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCCOC)c1=N ZINC000100627993 559245621 /nfs/dbraw/zinc/24/56/21/559245621.db2.gz JALCKZOMVAWPGT-UHFFFAOYSA-N 0 0 413.478 1.240 50 5 HDBARN CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O ZINC000248018673 559259468 /nfs/dbraw/zinc/25/94/68/559259468.db2.gz UCPQMLNEVWWEOG-VIIZEREPSA-N 0 0 416.434 1.606 50 5 HDBARN CC1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002659874 560587342 /nfs/dbraw/zinc/58/73/42/560587342.db2.gz QWDZKXFMIFPOIW-SGALNCENSA-N 0 0 411.480 1.414 50 5 HDBARN Cc1ccc(CNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(CCO)c2=N)cc1 ZINC000100869846 560760374 /nfs/dbraw/zinc/76/03/74/560760374.db2.gz NPYGVNHHVLBFRA-UHFFFAOYSA-N 0 0 417.469 1.668 50 5 HDBARN COCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c1nc1ccccn1c2=O ZINC000101110724 560786544 /nfs/dbraw/zinc/78/65/44/560786544.db2.gz QLROUSVMLBEULB-UHFFFAOYSA-N 0 0 421.432 1.844 50 5 HDBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000102128785 560807955 /nfs/dbraw/zinc/80/79/55/560807955.db2.gz ULWPKNYLYRLMPX-HZPDHXFCSA-N 0 0 416.386 1.846 50 5 HDBARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000102283147 560809626 /nfs/dbraw/zinc/80/96/26/560809626.db2.gz BJUJKGYJNCVILZ-HUUCEWRRSA-N 0 0 404.375 1.680 50 5 HDBARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000005720549 560826476 /nfs/dbraw/zinc/82/64/76/560826476.db2.gz FMFPKXQNVPWQEO-UHFFFAOYSA-N 0 0 404.448 1.929 50 5 HDBARN Cc1nccn1-c1cc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000047012685 560879730 /nfs/dbraw/zinc/87/97/30/560879730.db2.gz BLDAPPQGQPPQOX-ZDUSSCGKSA-N 0 0 408.418 1.919 50 5 HDBARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000048253362 568434399 /nfs/dbraw/zinc/43/43/99/568434399.db2.gz OMDYKKXQGJOIAZ-UHFFFAOYSA-N 0 0 404.379 1.559 50 5 HDBARN C[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000024831152 568469922 /nfs/dbraw/zinc/46/99/22/568469922.db2.gz ZFLMANQQUMSMSS-SNVBAGLBSA-N 0 0 423.403 1.419 50 5 HDBARN CCOC(=O)C1=C2C(=O)N(c3ccccc3)C(=O)[C@]2(c2cccc([N+](=O)[O-])c2)NN1 ZINC000000842065 568530082 /nfs/dbraw/zinc/53/00/82/568530082.db2.gz LUFWWQPZKNTNBC-MGPUTAFESA-N 0 0 408.370 1.502 50 5 HDBARN COc1ccc(OC)c(Nc2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])c1 ZINC000020289227 568597506 /nfs/dbraw/zinc/59/75/06/568597506.db2.gz FEDLLPGHIVUYGP-UHFFFAOYSA-N 0 0 419.442 1.472 50 5 HDBARN NC(=O)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000095415868 568607000 /nfs/dbraw/zinc/60/70/00/568607000.db2.gz GQNNQOALMAICRB-ZIAGYGMSSA-N 0 0 412.468 1.072 50 5 HDBARN COC[C@@H](O)CN1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000095444754 568611591 /nfs/dbraw/zinc/61/15/91/568611591.db2.gz MNHIWJWSVREHLA-LBPRGKRZSA-N 0 0 423.438 1.475 50 5 HDBARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000095450503 568614133 /nfs/dbraw/zinc/61/41/33/568614133.db2.gz JURBLADZJKOUOB-VIFPVBQESA-N 0 0 406.258 1.967 50 5 HDBARN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000000899643 568740635 /nfs/dbraw/zinc/74/06/35/568740635.db2.gz HQZIKUWJSZYLRO-UHFFFAOYSA-N 0 0 419.459 1.815 50 5 HDBARN O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(F)cc1 ZINC000000941638 568753281 /nfs/dbraw/zinc/75/32/81/568753281.db2.gz TUSPVJGYLMLHFM-UHFFFAOYSA-N 0 0 401.306 1.512 50 5 HDBARN Cc1cc([N+](=O)[O-])nn1Cc1nc2c3c(C)c(C(=O)N(C)C)sc3ncn2n1 ZINC000002791389 568809856 /nfs/dbraw/zinc/80/98/56/568809856.db2.gz HFMGSNWQKWSUAK-UHFFFAOYSA-N 0 0 400.424 1.811 50 5 HDBARN CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000015205755 568818757 /nfs/dbraw/zinc/81/87/57/568818757.db2.gz QARDOLFYPIWHPM-AWEZNQCLSA-N 0 0 410.496 1.684 50 5 HDBARN COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000005889946 568827913 /nfs/dbraw/zinc/82/79/13/568827913.db2.gz RCQXTSOKXZYXPT-UHFFFAOYSA-N 0 0 405.338 1.654 50 5 HDBARN O=C(NCCc1ccccn1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012536833 568845807 /nfs/dbraw/zinc/84/58/07/568845807.db2.gz UHCOSKNDYOYASC-GOSISDBHSA-N 0 0 418.475 1.892 50 5 HDBARN O=C(CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000029967928 568854146 /nfs/dbraw/zinc/85/41/46/568854146.db2.gz PPLGSNCRGMPRRK-UHFFFAOYSA-N 0 0 417.344 1.922 50 5 HDBARN Cc1c(C)[n+]([O-])c([C@H](c2ccc([N+](=O)[O-])cc2)C2C(=O)OC(C)(C)OC2=O)n1C ZINC000263588572 568884344 /nfs/dbraw/zinc/88/43/44/568884344.db2.gz VVSLERAHUBESRU-CQSZACIVSA-N 0 0 403.391 1.768 50 5 HDBARN CN(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCCC1 ZINC000003468370 568907439 /nfs/dbraw/zinc/90/74/39/568907439.db2.gz LDLJSVHHYNVIFC-UHFFFAOYSA-N 0 0 403.391 1.525 50 5 HDBARN CCc1cc(N2CCC[C@@H](CNS(N)(=O)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058283022 568908513 /nfs/dbraw/zinc/90/85/13/568908513.db2.gz OXPWPZBVTGGFSR-ZDUSSCGKSA-N 0 0 420.495 1.624 50 5 HDBARN C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157460 568946916 /nfs/dbraw/zinc/94/69/16/568946916.db2.gz IJTIAMMDASPHNP-JRRBAZMTSA-N 0 0 400.387 1.740 50 5 HDBARN C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157463 568946918 /nfs/dbraw/zinc/94/69/18/568946918.db2.gz IJTIAMMDASPHNP-GSHBDLQKSA-N 0 0 400.387 1.740 50 5 HDBARN NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COc2ccc(-c3ccccc3)cc2)c1=O ZINC000012768512 568949868 /nfs/dbraw/zinc/94/98/68/568949868.db2.gz BRBPCHHNODWEMC-KRWDZBQOSA-N 0 0 409.398 1.962 50 5 HDBARN COc1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000059419191 568953224 /nfs/dbraw/zinc/95/32/24/568953224.db2.gz SKQNWRZURVMKJU-UHFFFAOYSA-N 0 0 424.457 1.951 50 5 HDBARN COCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100627908 569009746 /nfs/dbraw/zinc/00/97/46/569009746.db2.gz SDTJGFDQVMXURW-UHFFFAOYSA-N 0 0 403.442 1.705 50 5 HDBARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000012914998 569022191 /nfs/dbraw/zinc/02/21/91/569022191.db2.gz VDQSHEIRUJKKOA-UHFFFAOYSA-N 0 0 414.827 1.299 50 5 HDBARN CC(C)[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000026302150 569031140 /nfs/dbraw/zinc/03/11/40/569031140.db2.gz ANQGZSIKXAJGSI-IBGZPJMESA-N 0 0 405.499 1.783 50 5 HDBARN CCOC(=O)c1sc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(C(=O)OCC)c1C ZINC000001821144 569056204 /nfs/dbraw/zinc/05/62/04/569056204.db2.gz ZZENFIGEOLJUPF-UHFFFAOYSA-N 0 0 411.396 1.548 50 5 HDBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000016694635 569070807 /nfs/dbraw/zinc/07/08/07/569070807.db2.gz GFXZEYVZFGYZCO-CQSZACIVSA-N 0 0 420.491 1.594 50 5 HDBARN O=CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000036067081 569085698 /nfs/dbraw/zinc/08/56/98/569085698.db2.gz ZQLGSNQYKBUJKK-IBGZPJMESA-N 0 0 418.450 1.588 50 5 HDBARN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000036790674 569228586 /nfs/dbraw/zinc/22/85/86/569228586.db2.gz FIHUPQQFJGJYFY-UKRRQHHQSA-N 0 0 406.439 1.885 50 5 HDBARN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000007489285 569240954 /nfs/dbraw/zinc/24/09/54/569240954.db2.gz SIRLGKOEVUCLLH-UHFFFAOYSA-N 0 0 419.459 1.648 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000007541276 569248848 /nfs/dbraw/zinc/24/88/48/569248848.db2.gz FCNIWARPDZMNHK-HNNXBMFYSA-N 0 0 412.464 1.941 50 5 HDBARN Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000037355757 569271637 /nfs/dbraw/zinc/27/16/37/569271637.db2.gz MOKCBFGBANNBIA-AWEZNQCLSA-N 0 0 416.463 2.000 50 5 HDBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002396486 569394437 /nfs/dbraw/zinc/39/44/37/569394437.db2.gz ABSAXYMNOAQLRG-YBEGLDIGSA-N 0 0 410.386 1.697 50 5 HDBARN C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000012538745 569401700 /nfs/dbraw/zinc/40/17/00/569401700.db2.gz CHGMRRNXCGYNLZ-OKILXGFUSA-N 0 0 411.480 1.631 50 5 HDBARN C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012796269 569403503 /nfs/dbraw/zinc/40/35/03/569403503.db2.gz NRCCCRBPEJIRMZ-NOZJJQNGSA-N 0 0 419.843 1.542 50 5 HDBARN CC(C)[C@@H]1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000012867553 569404349 /nfs/dbraw/zinc/40/43/49/569404349.db2.gz KFGSDEOGFUETDF-MRXNPFEDSA-N 0 0 412.468 1.335 50 5 HDBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000079108125 569427779 /nfs/dbraw/zinc/42/77/79/569427779.db2.gz IVHWTRSLTOORCJ-KBPBESRZSA-N 0 0 401.485 1.771 50 5 HDBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040115364 571173032 /nfs/dbraw/zinc/17/30/32/571173032.db2.gz GAERUIANRXMPMV-OLZOCXBDSA-N 0 0 407.370 1.204 50 5 HDBARN Cc1ccc2c(c1)oc1cc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cc(O)c1c2=O ZINC000040267445 571214463 /nfs/dbraw/zinc/21/44/63/571214463.db2.gz GQQZCYCWJFFLPZ-LBPRGKRZSA-N 0 0 417.439 1.642 50 5 HDBARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000009284682 571245088 /nfs/dbraw/zinc/24/50/88/571245088.db2.gz OKSZGNIBWZTAAO-LJQANCHMSA-N 0 0 412.358 1.729 50 5 HDBARN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009284852 571245090 /nfs/dbraw/zinc/24/50/90/571245090.db2.gz JEJVNMVPAGTMCK-UHFFFAOYSA-N 0 0 415.333 1.902 50 5 HDBARN CC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009517614 571265201 /nfs/dbraw/zinc/26/52/01/571265201.db2.gz ACLFITPPDQFRNG-UHFFFAOYSA-N 0 0 401.404 1.284 50 5 HDBARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000009884431 571289379 /nfs/dbraw/zinc/28/93/79/571289379.db2.gz GMOCVYQWVRLATJ-UHFFFAOYSA-N 0 0 408.436 1.426 50 5 HDBARN O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000019991252 571314431 /nfs/dbraw/zinc/31/44/31/571314431.db2.gz DRQRMIZJRVKYMS-OAQYLSRUSA-N 0 0 411.414 1.692 50 5 HDBARN