smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000263705057 1032756995 /nfs/dbraw/zinc/75/69/95/1032756995.db2.gz VGZLRTFHMUZPEJ-UHFFFAOYSA-N -1 3 323.349 3.740 20 5 DHBDHM Cc1cc(F)c([N-]C(=O)c2cnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000282535037 1019023139 /nfs/dbraw/zinc/02/31/39/1019023139.db2.gz VVFMRBWLTVRYLY-UHFFFAOYSA-N -1 3 323.349 3.875 20 5 DHBDHM CC(C)(C)c1nc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)co1 ZINC000875680402 1032875221 /nfs/dbraw/zinc/87/52/21/1032875221.db2.gz VOLFQGQUOITQHG-UHFFFAOYSA-N -1 3 323.736 3.786 20 5 DHBDHM Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c([O-])c1 ZINC000109341211 1021539906 /nfs/dbraw/zinc/53/99/06/1021539906.db2.gz HGDDPSVPQQYTRM-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2occc2[n-]1 ZINC000786030755 1023653260 /nfs/dbraw/zinc/65/32/60/1023653260.db2.gz AZJLRUBGJZFPTO-UHFFFAOYSA-N -1 3 320.688 3.680 20 5 DHBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc2occc2[n-]1 ZINC000786033008 1023654292 /nfs/dbraw/zinc/65/42/92/1023654292.db2.gz HFPIDMDDBVGCHW-UHFFFAOYSA-N -1 3 320.688 3.680 20 5 DHBDHM CCc1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1C ZINC000538773926 1033174105 /nfs/dbraw/zinc/17/41/05/1033174105.db2.gz LSKMMSGQJFYISW-UHFFFAOYSA-N -1 3 316.357 3.792 20 5 DHBDHM CC(=O)c1csc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800145840 1024712393 /nfs/dbraw/zinc/71/23/93/1024712393.db2.gz PEYVKLCWXUEGQC-UHFFFAOYSA-N -1 3 322.317 3.559 20 5 DHBDHM CC[C@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000413214529 1026777431 /nfs/dbraw/zinc/77/74/31/1026777431.db2.gz LZHXUFPPWZNBAS-VIFPVBQESA-N -1 3 319.340 3.917 20 5 DHBDHM Cc1nn(-c2ccccc2)cc1[N-]c1ncc(C)cc1[N+](=O)[O-] ZINC000358272025 1030415727 /nfs/dbraw/zinc/41/57/27/1030415727.db2.gz QSNXUPMUVVRYKA-UHFFFAOYSA-N -1 3 309.329 3.536 20 5 DHBDHM CCc1oc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cc1C ZINC000119571861 1034168880 /nfs/dbraw/zinc/16/88/80/1034168880.db2.gz HCXDVEKXJMGCQM-UHFFFAOYSA-N -1 3 310.256 3.589 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3cc(F)c(F)cc3c2)c1 ZINC001199819287 1037335075 /nfs/dbraw/zinc/33/50/75/1037335075.db2.gz ODFIRBVFJINZQA-UHFFFAOYSA-N -1 3 317.251 3.870 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC001199801317 1037341519 /nfs/dbraw/zinc/34/15/19/1037341519.db2.gz QPHHSUSPOCFUIV-UHFFFAOYSA-N -1 3 310.313 3.538 20 5 DHBDHM Cc1cc(CC(C)C)ncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828880 1037345625 /nfs/dbraw/zinc/34/56/25/1037345625.db2.gz XHRZNRWRZFVCRH-UHFFFAOYSA-N -1 3 301.346 3.946 20 5 DHBDHM Cc1cccc(-c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)n(C)n2)c1 ZINC001199828328 1037351077 /nfs/dbraw/zinc/35/10/77/1037351077.db2.gz GOEZHVNTHDSNGF-UHFFFAOYSA-N -1 3 324.340 3.753 20 5 DHBDHM CC(=O)Nc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC001201221567 1037581734 /nfs/dbraw/zinc/58/17/34/1037581734.db2.gz AVLDPAPTNOJRKC-UHFFFAOYSA-N -1 3 321.720 3.656 20 5 DHBDHM CC(C)(NCc1cccc([O-])c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000590185026 1038599367 /nfs/dbraw/zinc/59/93/67/1038599367.db2.gz WSPPUFFXTWAWCC-UHFFFAOYSA-N -1 3 320.776 3.979 20 5 DHBDHM CC(C)CCOc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596145584 1040314874 /nfs/dbraw/zinc/31/48/74/1040314874.db2.gz QMKIBESJZZKJME-UHFFFAOYSA-N -1 3 317.345 3.864 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000596216286 1040340123 /nfs/dbraw/zinc/34/01/23/1040340123.db2.gz LPYIEYHUUPFCJT-UMSPYCQHSA-N -1 3 319.748 3.707 20 5 DHBDHM O=c1[n-]ccc(NC[C@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596250998 1040348346 /nfs/dbraw/zinc/34/83/46/1040348346.db2.gz WZNLFCCUXXOWQZ-ZIAGYGMSSA-N -1 3 313.357 3.691 20 5 DHBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@H]3CCc4ccccc43)n2)cc1 ZINC000486417429 435599372 /nfs/dbraw/zinc/59/93/72/435599372.db2.gz IDEBMAUKTBIWMH-HNNXBMFYSA-N -1 3 322.324 3.744 20 5 DHBDHM O=C([N-]c1ccsc1Cl)c1ccc(F)cc1[N+](=O)[O-] ZINC000187820786 334274097 /nfs/dbraw/zinc/27/40/97/334274097.db2.gz GJPYWNAPSGLMFP-UHFFFAOYSA-N -1 3 300.698 3.701 20 5 DHBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000301207055 336294895 /nfs/dbraw/zinc/29/48/95/336294895.db2.gz UAUSKIJXEQSGMZ-UHFFFAOYSA-N -1 3 315.720 3.573 20 5 DHBDHM CCc1c([N-]c2ncc([N+](=O)[O-])cc2Cl)cnn1CC(C)C ZINC000301808770 336331445 /nfs/dbraw/zinc/33/14/45/336331445.db2.gz CWIWJRCUGZPABQ-UHFFFAOYSA-N -1 3 323.784 3.802 20 5 DHBDHM O=[N+]([O-])c1cnc([N-]c2ccccc2COc2ccccc2)nc1 ZINC000302147941 336350821 /nfs/dbraw/zinc/35/08/21/336350821.db2.gz IXXQDJBKLLZVAO-UHFFFAOYSA-N -1 3 322.324 3.707 20 5 DHBDHM O=C([N-]c1cncc(Cl)c1Cl)c1ccc([N+](=O)[O-])s1 ZINC000180139111 337175068 /nfs/dbraw/zinc/17/50/68/337175068.db2.gz JXPKIBALCCVQHH-UHFFFAOYSA-N -1 3 318.141 3.610 20 5 DHBDHM CSc1cccc(C(=O)[N-]c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000185944549 337251784 /nfs/dbraw/zinc/25/17/84/337251784.db2.gz CSQWKSCDIVNWDX-UHFFFAOYSA-N -1 3 324.308 3.847 20 5 DHBDHM Cc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1[N+](=O)[O-] ZINC000435953566 338254130 /nfs/dbraw/zinc/25/41/30/338254130.db2.gz OUGTYYCTVVOGKH-SOFGYWHQSA-N -1 3 323.308 3.829 20 5 DHBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(F)ccc(F)c1F ZINC000464707102 339149343 /nfs/dbraw/zinc/14/93/43/339149343.db2.gz FEKAVRQQZAQOMW-UHFFFAOYSA-N -1 3 324.258 3.827 20 5 DHBDHM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000820285116 598192102 /nfs/dbraw/zinc/19/21/02/598192102.db2.gz QALPCMFOZFAIHZ-MRXNPFEDSA-N -1 3 314.341 3.534 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153676157 1020514001 /nfs/dbraw/zinc/51/40/01/1020514001.db2.gz VEJRNKKVWQUVEF-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM CSc1ccsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000107092061 1021297127 /nfs/dbraw/zinc/29/71/27/1021297127.db2.gz VXVGMVGLZAIOBL-UHFFFAOYSA-N -1 3 312.347 3.770 20 5 DHBDHM CC(=O)c1ccsc1[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001129347508 1022557981 /nfs/dbraw/zinc/55/79/81/1022557981.db2.gz IATOOZZPMWBDDF-UHFFFAOYSA-N -1 3 324.745 3.765 20 5 DHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1c(F)cccc1Cl ZINC000069524871 1023100762 /nfs/dbraw/zinc/10/07/62/1023100762.db2.gz FKVBTYAVNMZRDA-UHFFFAOYSA-N -1 3 312.659 3.779 20 5 DHBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1F ZINC000772534912 1023564062 /nfs/dbraw/zinc/56/40/62/1023564062.db2.gz BYTHPFULMAFROI-UHFFFAOYSA-N -1 3 324.695 3.654 20 5 DHBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC000786031029 1023654234 /nfs/dbraw/zinc/65/42/34/1023654234.db2.gz GXNLJFDAUFXCHL-SECBINFHSA-N -1 3 300.270 3.587 20 5 DHBDHM Cc1sc(C(=O)Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000577307387 1027748214 /nfs/dbraw/zinc/74/82/14/1027748214.db2.gz OKAQOUZYQGSREP-UHFFFAOYSA-N -1 3 312.734 3.576 20 5 DHBDHM Cc1cccc([C@@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000559150378 1031139809 /nfs/dbraw/zinc/13/98/09/1031139809.db2.gz VDILGIBLAQXZLT-OAHLLOKOSA-N -1 3 312.369 3.598 20 5 DHBDHM C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1F ZINC000872072788 1031469735 /nfs/dbraw/zinc/46/97/35/1031469735.db2.gz JZQUAQZXYWQDOH-WDEREUQCSA-N -1 3 304.321 3.851 20 5 DHBDHM O=C([O-])c1ccc(Nc2ccnc(C3CCC3)c2)cc1[N+](=O)[O-] ZINC001174503911 1034461495 /nfs/dbraw/zinc/46/14/95/1034461495.db2.gz NZIDNVSBLQSXPV-UHFFFAOYSA-N -1 3 313.313 3.699 20 5 DHBDHM COc1cc(CNc2ncc(C(C)C)s2)c([N+](=O)[O-])cc1[O-] ZINC000185984895 1034591461 /nfs/dbraw/zinc/59/14/61/1034591461.db2.gz NHFBDXXUSKISKX-UHFFFAOYSA-N -1 3 323.374 3.501 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(Cl)nc2Cl)c1 ZINC001199814958 1037346217 /nfs/dbraw/zinc/34/62/17/1037346217.db2.gz RAYGRUUPHYMRNX-UHFFFAOYSA-N -1 3 318.091 3.885 20 5 DHBDHM C[C@H](c1ccccc1)n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC001186791760 1037497595 /nfs/dbraw/zinc/49/75/95/1037497595.db2.gz NPHWBOBUHSRGCW-SNVBAGLBSA-N -1 3 315.358 3.601 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)c3nsnc32)c1 ZINC001201229217 1037573496 /nfs/dbraw/zinc/57/34/96/1037573496.db2.gz HXKFAYHORRFNNC-UHFFFAOYSA-N -1 3 322.733 3.702 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C(F)(F)F)cc2O)c1 ZINC001201221944 1037582307 /nfs/dbraw/zinc/58/23/07/1037582307.db2.gz GDJBQNQEKCGDNL-UHFFFAOYSA-N -1 3 314.219 3.768 20 5 DHBDHM CC(C)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000171423409 1039477826 /nfs/dbraw/zinc/47/78/26/1039477826.db2.gz AFCRHQDAXOOPMR-UHFFFAOYSA-N -1 3 309.322 3.566 20 5 DHBDHM O=c1[n-]ccc(Nc2ccc(OC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596071542 1040300761 /nfs/dbraw/zinc/30/07/61/1040300761.db2.gz QNFTWEQWERZHRE-UHFFFAOYSA-N -1 3 315.329 3.760 20 5 DHBDHM CC(C)(C)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596096732 1040307261 /nfs/dbraw/zinc/30/72/61/1040307261.db2.gz YQAPEKUOJXTKQQ-UHFFFAOYSA-N -1 3 301.346 3.605 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CCC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596208616 1040339530 /nfs/dbraw/zinc/33/95/30/1040339530.db2.gz ZXRFFNASLPAJDT-KBPBESRZSA-N -1 3 313.357 3.834 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596208618 1040339705 /nfs/dbraw/zinc/33/97/05/1040339705.db2.gz ZXRFFNASLPAJDT-UONOGXRCSA-N -1 3 313.357 3.834 20 5 DHBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596250995 1040348237 /nfs/dbraw/zinc/34/82/37/1040348237.db2.gz WZNLFCCUXXOWQZ-KBPBESRZSA-N -1 3 313.357 3.691 20 5 DHBDHM O=c1[n-]ccc(SC2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000596259478 1040362466 /nfs/dbraw/zinc/36/24/66/1040362466.db2.gz ZOPHSRGCENLWAV-UHFFFAOYSA-N -1 3 322.308 3.909 20 5 DHBDHM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1[O-] ZINC000531351576 333345585 /nfs/dbraw/zinc/34/55/85/333345585.db2.gz SGTPGNDZBYRTLP-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1cccc([O-])c1 ZINC000342836778 334586125 /nfs/dbraw/zinc/58/61/25/334586125.db2.gz USCOFBLEFZCTPR-UHFFFAOYSA-N -1 3 319.338 3.547 20 5 DHBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000301805834 336331303 /nfs/dbraw/zinc/33/13/03/336331303.db2.gz VWANMLDWMXBHGA-UHFFFAOYSA-N -1 3 323.784 3.938 20 5 DHBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000583100982 337240760 /nfs/dbraw/zinc/24/07/60/337240760.db2.gz FCUZTYHFKSYLFJ-ZDUSSCGKSA-N -1 3 314.385 3.756 20 5 DHBDHM CSc1cccc(C(=O)[N-]c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000185943567 337251771 /nfs/dbraw/zinc/25/17/71/337251771.db2.gz VOCPZZUDGQLYHT-UHFFFAOYSA-N -1 3 324.308 3.847 20 5 DHBDHM CCCc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000024504890 337275303 /nfs/dbraw/zinc/27/53/03/337275303.db2.gz QYWHWTBFOQRKAI-UHFFFAOYSA-N -1 3 324.340 3.676 20 5 DHBDHM C[C@H](CN(C)Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000549405332 341293499 /nfs/dbraw/zinc/29/34/99/341293499.db2.gz LDDUCIYESDLLRT-CYBMUJFWSA-N -1 3 300.358 3.536 20 5 DHBDHM C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845232 341304827 /nfs/dbraw/zinc/30/48/27/341304827.db2.gz HXOYPVJSOJSFLK-UKRRQHHQSA-N -1 3 312.369 3.678 20 5 DHBDHM CCc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000179816427 1020460845 /nfs/dbraw/zinc/46/08/45/1020460845.db2.gz GIQFNLBUJDKNJO-UHFFFAOYSA-N -1 3 320.732 3.769 20 5 DHBDHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cccc1[N+](=O)[O-] ZINC000153428424 1021189840 /nfs/dbraw/zinc/18/98/40/1021189840.db2.gz RCALICODIAZVRW-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(C2CC2)n1 ZINC000800148562 1024713944 /nfs/dbraw/zinc/71/39/44/1024713944.db2.gz GFFWYVNAGIZMJS-UHFFFAOYSA-N -1 3 321.333 3.629 20 5 DHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000800151794 1024715189 /nfs/dbraw/zinc/71/51/89/1024715189.db2.gz NIRDYHJWKASJLW-UHFFFAOYSA-N -1 3 321.333 3.629 20 5 DHBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000353902025 1025284422 /nfs/dbraw/zinc/28/44/22/1025284422.db2.gz SXFDTQVLRJSYTM-QGZVFWFLSA-N -1 3 302.374 3.623 20 5 DHBDHM CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(F)c1C ZINC001225668127 1027236620 /nfs/dbraw/zinc/23/66/20/1027236620.db2.gz YXNDNIXHXLXALO-CYBMUJFWSA-N -1 3 306.293 3.673 20 5 DHBDHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000575937664 1027528640 /nfs/dbraw/zinc/52/86/40/1027528640.db2.gz IPOSTJODUDQDKY-VIFPVBQESA-N -1 3 320.732 3.696 20 5 DHBDHM C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769202 1028259713 /nfs/dbraw/zinc/25/97/13/1028259713.db2.gz NQOMFOJPUNTFGP-GXTWGEPZSA-N -1 3 306.406 3.947 20 5 DHBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c(Cl)[n-]1 ZINC000011808698 1028886696 /nfs/dbraw/zinc/88/66/96/1028886696.db2.gz ZKTKIKAPYARQIF-UHFFFAOYSA-N -1 3 315.112 3.587 20 5 DHBDHM Cc1cc(Br)ncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814082 1037343180 /nfs/dbraw/zinc/34/31/80/1037343180.db2.gz DPBBQAZJLGPZTL-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM CC(=O)c1ccc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221743 1037579024 /nfs/dbraw/zinc/57/90/24/1037579024.db2.gz DOYPMPAQCZJBOW-UHFFFAOYSA-N -1 3 306.705 3.900 20 5 DHBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c(OC)c1 ZINC001201224763 1037581958 /nfs/dbraw/zinc/58/19/58/1037581958.db2.gz UHTLRSGPFRJJNU-UHFFFAOYSA-N -1 3 324.720 3.715 20 5 DHBDHM O=[N+]([O-])c1cc(F)c([N-]c2ccn(-c3ccccc3)n2)c(F)c1 ZINC001187677944 1037692430 /nfs/dbraw/zinc/69/24/30/1037692430.db2.gz RYEIMBCYTKUMEE-UHFFFAOYSA-N -1 3 316.267 3.802 20 5 DHBDHM CCc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000590549871 1038659626 /nfs/dbraw/zinc/65/96/26/1038659626.db2.gz GNPSIOUQTHRKSE-UHFFFAOYSA-N -1 3 314.341 3.732 20 5 DHBDHM O=c1[n-]ccc(NC2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596078628 1040300437 /nfs/dbraw/zinc/30/04/37/1040300437.db2.gz XZXBNKTVJQRRBY-UHFFFAOYSA-N -1 3 313.357 3.834 20 5 DHBDHM Cc1cc(OC(C)C)ccc1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596084491 1040302366 /nfs/dbraw/zinc/30/23/66/1040302366.db2.gz ADEBIPLPRACHKI-UHFFFAOYSA-N -1 3 303.318 3.535 20 5 DHBDHM C[C@@H](CC(C)(C)c1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596093327 1040307296 /nfs/dbraw/zinc/30/72/96/1040307296.db2.gz HVOMDSXGZTXULW-LBPRGKRZSA-N -1 3 315.373 3.864 20 5 DHBDHM CC(C)(C)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000596212900 1040338381 /nfs/dbraw/zinc/33/83/81/1040338381.db2.gz NQPMUHNUUAFASR-LBPRGKRZSA-N -1 3 313.357 3.977 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596218083 1040339992 /nfs/dbraw/zinc/33/99/92/1040339992.db2.gz UBLUEXYOLZRAIH-WCQYABFASA-N -1 3 317.320 3.583 20 5 DHBDHM O=C([N-]c1cccc2ocnc21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341612477 334461726 /nfs/dbraw/zinc/46/17/26/334461726.db2.gz IYRBRUYZNSCETA-UHFFFAOYSA-N -1 3 323.264 3.735 20 5 DHBDHM Cc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000443916957 338463497 /nfs/dbraw/zinc/46/34/97/338463497.db2.gz PVAHUGCECARCBI-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM O=[N+]([O-])c1ccsc1Sc1n[n-]c(-c2ccccc2F)n1 ZINC000302010447 336342969 /nfs/dbraw/zinc/34/29/69/336342969.db2.gz YEEIJWZQMRTTHF-UHFFFAOYSA-N -1 3 322.346 3.732 20 5 DHBDHM CCC(=O)c1ccc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000359511418 336675463 /nfs/dbraw/zinc/67/54/63/336675463.db2.gz KSFRAGJNWZRKFY-UHFFFAOYSA-N -1 3 318.304 3.644 20 5 DHBDHM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1[O-] ZINC000116979717 337845536 /nfs/dbraw/zinc/84/55/36/337845536.db2.gz PRMIACRSUOWAOL-UHFFFAOYSA-N -1 3 324.695 3.654 20 5 DHBDHM O=C([N-]c1cc(F)ccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000076180038 341203570 /nfs/dbraw/zinc/20/35/70/341203570.db2.gz QMHSONRVBJEZNF-UHFFFAOYSA-N -1 3 300.698 3.701 20 5 DHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000551062924 341330629 /nfs/dbraw/zinc/33/06/29/341330629.db2.gz ROVDQBFNKGORKC-IAGOWNOFSA-N -1 3 312.369 3.726 20 5 DHBDHM O=c1[n-]c(-c2cccc([N+](=O)[O-])c2)nc2ccc(Cl)cc12 ZINC000080128296 1019826946 /nfs/dbraw/zinc/82/69/46/1019826946.db2.gz JKKKFCYYFOMVTJ-UHFFFAOYSA-N -1 3 301.689 3.564 20 5 DHBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc2occc2[n-]1 ZINC000786029649 1023647970 /nfs/dbraw/zinc/64/79/70/1023647970.db2.gz IKELSXWDPIJQNV-UHFFFAOYSA-N -1 3 320.688 3.680 20 5 DHBDHM O=C(CCC1CCCCC1)[N-]OCc1ccc([N+](=O)[O-])cc1F ZINC000747834970 1027511624 /nfs/dbraw/zinc/51/16/24/1027511624.db2.gz VJTQJNUQJBUTLA-UHFFFAOYSA-N -1 3 324.352 3.642 20 5 DHBDHM O=[N+]([O-])c1ccccc1CN(Cc1ccc([O-])c(F)c1)C1CC1 ZINC001179914318 1035546956 /nfs/dbraw/zinc/54/69/56/1035546956.db2.gz UKQPIZCXJIZQBL-UHFFFAOYSA-N -1 3 316.332 3.604 20 5 DHBDHM Cc1ccc(-n2nccc2Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199819258 1037335851 /nfs/dbraw/zinc/33/58/51/1037335851.db2.gz MWOUCANMBOQLQN-UHFFFAOYSA-N -1 3 310.313 3.538 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(C(F)(F)F)cc2F)c1 ZINC001199801379 1037341622 /nfs/dbraw/zinc/34/16/22/1037341622.db2.gz DLQHISQPOCBMGA-UHFFFAOYSA-N -1 3 317.198 3.597 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc3nsnc3cc2Cl)c1 ZINC001201229358 1037573696 /nfs/dbraw/zinc/57/36/96/1037573696.db2.gz MKYDYTGJFCOUTJ-UHFFFAOYSA-N -1 3 322.733 3.702 20 5 DHBDHM CC(C)Oc1ccc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229349 1037574274 /nfs/dbraw/zinc/57/42/74/1037574274.db2.gz MCYHXGYOZUZJGK-UHFFFAOYSA-N -1 3 306.293 3.970 20 5 DHBDHM Nc1cc(Cl)c(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222954 1037581565 /nfs/dbraw/zinc/58/15/65/1037581565.db2.gz UCCLVEPYUDGNRM-UHFFFAOYSA-N -1 3 314.128 3.933 20 5 DHBDHM CC(=O)Nc1ccc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223233 1037582044 /nfs/dbraw/zinc/58/20/44/1037582044.db2.gz ZDOGQODVQMGUOU-UHFFFAOYSA-N -1 3 321.720 3.656 20 5 DHBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000596110562 1040319976 /nfs/dbraw/zinc/31/99/76/1040319976.db2.gz PHRAKSJCJRQUEY-UHFFFAOYSA-N -1 3 321.764 3.739 20 5 DHBDHM CC(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596206602 1040350244 /nfs/dbraw/zinc/35/02/44/1040350244.db2.gz UNBHVPRHDSZUKQ-CQSZACIVSA-N -1 3 315.373 3.622 20 5 DHBDHM Cc1sc(C(=O)[N-]c2ncsc2C(C)C)cc1[N+](=O)[O-] ZINC000288941048 131346908 /nfs/dbraw/zinc/34/69/08/131346908.db2.gz UYMMTUDHXBLDGL-UHFFFAOYSA-N -1 3 311.388 3.797 20 5 DHBDHM CCc1cc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)no1 ZINC000610075855 435354136 /nfs/dbraw/zinc/35/41/36/435354136.db2.gz SSKIYVXOYMQFDJ-UHFFFAOYSA-N -1 3 317.326 3.612 20 5 DHBDHM O=C([N-]c1nc2ccsc2s1)c1ccc([N+](=O)[O-])cc1F ZINC000344320216 335240732 /nfs/dbraw/zinc/24/07/32/335240732.db2.gz CRNFDANZVXFENC-UHFFFAOYSA-N -1 3 323.330 3.657 20 5 DHBDHM O=C([N-]c1cccc2ocnc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000357415850 336584662 /nfs/dbraw/zinc/58/46/62/336584662.db2.gz QULNYDWZUAIAQG-UHFFFAOYSA-N -1 3 317.688 3.642 20 5 DHBDHM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1[O-] ZINC000116979608 337845549 /nfs/dbraw/zinc/84/55/49/337845549.db2.gz MMZLKDUUSNJTRR-UHFFFAOYSA-N -1 3 312.734 3.576 20 5 DHBDHM CSc1cc(O)ccc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000191200067 340551232 /nfs/dbraw/zinc/55/12/32/340551232.db2.gz QUHZCPIEIQKUCV-UHFFFAOYSA-N -1 3 324.383 3.645 20 5 DHBDHM O=C([N-]c1c(F)cccc1NC1CC1)c1ccc([N+](=O)[O-])s1 ZINC000132695413 341141781 /nfs/dbraw/zinc/14/17/81/341141781.db2.gz PIQZFWPOXOKGLK-UHFFFAOYSA-N -1 3 321.333 3.622 20 5 DHBDHM CCc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000080655673 341274407 /nfs/dbraw/zinc/27/44/07/341274407.db2.gz VHNPBYDQQCSQLM-UHFFFAOYSA-N -1 3 320.732 3.769 20 5 DHBDHM O=C([N-]c1cccc(F)c1Cl)c1ccc([N+](=O)[O-])s1 ZINC000574315653 341755005 /nfs/dbraw/zinc/75/50/05/341755005.db2.gz WHHJQECHQHUJNP-UHFFFAOYSA-N -1 3 300.698 3.701 20 5 DHBDHM O=C([N-]c1nc(-c2ccccc2)co1)c1ccc([N+](=O)[O-])s1 ZINC000339402354 527501410 /nfs/dbraw/zinc/50/14/10/527501410.db2.gz UTSYDDFCFXUTDC-UHFFFAOYSA-N -1 3 315.310 3.564 20 5 DHBDHM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000818143551 597244224 /nfs/dbraw/zinc/24/42/24/597244224.db2.gz AQVLVDWZSJDJKX-INIZCTEOSA-N -1 3 314.341 3.534 20 5 DHBDHM COc1c([O-])ccc(CNc2cccc(C)c2C)c1[N+](=O)[O-] ZINC000892250238 1016584744 /nfs/dbraw/zinc/58/47/44/1016584744.db2.gz DDMKHINGZKGANV-UHFFFAOYSA-N -1 3 302.330 3.538 20 5 DHBDHM CCc1ccc([O-])c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000088393287 1017464299 /nfs/dbraw/zinc/46/42/99/1017464299.db2.gz SNRHUMWALDFQCD-UHFFFAOYSA-N -1 3 320.732 3.769 20 5 DHBDHM O=c1ccnc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[n-]1 ZINC000764433781 1018280996 /nfs/dbraw/zinc/28/09/96/1018280996.db2.gz FRGFKZMZANIJQU-ALCCZGGFSA-N -1 3 309.281 3.521 20 5 DHBDHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000179608230 1022486682 /nfs/dbraw/zinc/48/66/82/1022486682.db2.gz YXWUCRCKIXNPAP-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(C(C)C)s1 ZINC000800151974 1024715770 /nfs/dbraw/zinc/71/57/70/1024715770.db2.gz VQIALMOAWIEUGE-UHFFFAOYSA-N -1 3 323.349 3.875 20 5 DHBDHM CC[C@@H](C)n1nc([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1C ZINC000804596156 1025392893 /nfs/dbraw/zinc/39/28/93/1025392893.db2.gz WMXGXWCJZTZCII-SECBINFHSA-N -1 3 319.321 3.723 20 5 DHBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000339100622 1030955415 /nfs/dbraw/zinc/95/54/15/1030955415.db2.gz QLFAORLPZLPZTH-GFCCVEGCSA-N -1 3 320.414 3.815 20 5 DHBDHM Cc1c(CN[C@H](C)c2cccc([O-])c2F)cccc1[N+](=O)[O-] ZINC000872067222 1031463267 /nfs/dbraw/zinc/46/32/67/1031463267.db2.gz VTBQVZQKNFFCOU-LLVKDONJSA-N -1 3 304.321 3.599 20 5 DHBDHM Cc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000486430651 1036250153 /nfs/dbraw/zinc/25/01/53/1036250153.db2.gz HOOPOXUJEWCSHA-UHFFFAOYSA-N -1 3 315.716 3.872 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(C(F)(F)F)cs2)c1 ZINC001199801789 1037340426 /nfs/dbraw/zinc/34/04/26/1037340426.db2.gz JQQVGHBIOVYNIV-UHFFFAOYSA-N -1 3 305.237 3.519 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(C(F)(F)F)cnc2F)c1 ZINC001199828107 1037350760 /nfs/dbraw/zinc/35/07/60/1037350760.db2.gz ANLVSRFZPKKFMA-UHFFFAOYSA-N -1 3 317.198 3.597 20 5 DHBDHM CC(C)Oc1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230027 1037573867 /nfs/dbraw/zinc/57/38/67/1037573867.db2.gz UWDAZBNPDBZHIV-UHFFFAOYSA-N -1 3 306.293 3.970 20 5 DHBDHM O=C1CCCCc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc21 ZINC001201230097 1037574404 /nfs/dbraw/zinc/57/44/04/1037574404.db2.gz YAAXIBMYMYUAMF-UHFFFAOYSA-N -1 3 312.325 3.953 20 5 DHBDHM CC(C)OC(=O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223215 1037582407 /nfs/dbraw/zinc/58/24/07/1037582407.db2.gz XPPYTBWMZXUCMK-UHFFFAOYSA-N -1 3 316.313 3.609 20 5 DHBDHM CC(C)Oc1cccc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596076856 1040300324 /nfs/dbraw/zinc/30/03/24/1040300324.db2.gz QSVAQQYMKXFLJR-LLVKDONJSA-N -1 3 317.345 3.656 20 5 DHBDHM CCCOc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000596084134 1040303588 /nfs/dbraw/zinc/30/35/88/1040303588.db2.gz ISFXSLZHBHAEAY-UHFFFAOYSA-N -1 3 303.318 3.536 20 5 DHBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2cccc(Cl)c21 ZINC000596096455 1040307364 /nfs/dbraw/zinc/30/73/64/1040307364.db2.gz HNXLODKQGFMTHC-UHFFFAOYSA-N -1 3 319.748 3.778 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596218081 1040338053 /nfs/dbraw/zinc/33/80/53/1040338053.db2.gz UBLUEXYOLZRAIH-AAEUAGOBSA-N -1 3 317.320 3.583 20 5 DHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(C)noc1C ZINC000343621098 335182382 /nfs/dbraw/zinc/18/23/82/335182382.db2.gz JVTBNDOAEUPICL-UHFFFAOYSA-N -1 3 321.358 3.564 20 5 DHBDHM Cc1oc(C(C)C)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1F ZINC000288906975 131344274 /nfs/dbraw/zinc/34/42/74/131344274.db2.gz TUZQVUVVWDETGS-UHFFFAOYSA-N -1 3 321.308 3.714 20 5 DHBDHM Cc1c([N-]c2nccc(C)c2[N+](=O)[O-])cnn1C1CCCC1 ZINC000302887511 336373463 /nfs/dbraw/zinc/37/34/63/336373463.db2.gz NVXCZHLUXMNBLR-UHFFFAOYSA-N -1 3 301.350 3.662 20 5 DHBDHM O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436769369 338286535 /nfs/dbraw/zinc/28/65/35/338286535.db2.gz NAMZCZZIULJZLS-YFHOEESVSA-N -1 3 309.281 3.521 20 5 DHBDHM Cc1ccc([O-])c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000446223761 338523343 /nfs/dbraw/zinc/52/33/43/338523343.db2.gz BBUDNGDZXDSSJK-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM CC(C)(C)c1nc(C=Cc2csc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC000470255819 339315462 /nfs/dbraw/zinc/31/54/62/339315462.db2.gz RPUMYRYMDSWNNX-PLNGDYQASA-N -1 3 305.359 3.620 20 5 DHBDHM CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c([O-])c1 ZINC000501966026 340091666 /nfs/dbraw/zinc/09/16/66/340091666.db2.gz GKTQKKBOGRMOHZ-UHFFFAOYSA-N -1 3 320.370 3.912 20 5 DHBDHM C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845230 341304863 /nfs/dbraw/zinc/30/48/63/341304863.db2.gz HXOYPVJSOJSFLK-DZGCQCFKSA-N -1 3 312.369 3.678 20 5 DHBDHM O=[N+]([O-])c1ccc(Cl)c(Nc2ncccc2[O-])c1Cl ZINC001215581039 1014506495 /nfs/dbraw/zinc/50/64/95/1014506495.db2.gz JEGZOXWJMPWTLC-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000091695696 1018921824 /nfs/dbraw/zinc/92/18/24/1018921824.db2.gz AWWUWLVPDUPXAP-UHFFFAOYSA-N -1 3 318.304 3.617 20 5 DHBDHM CCCc1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2F)s1 ZINC000282569373 1020461695 /nfs/dbraw/zinc/46/16/95/1020461695.db2.gz YTVHKHFTRFTAHT-UHFFFAOYSA-N -1 3 323.349 3.704 20 5 DHBDHM COc1cc(CNc2ccc3occc3c2)c([N+](=O)[O-])cc1[O-] ZINC000864017735 1034256781 /nfs/dbraw/zinc/25/67/81/1034256781.db2.gz ZCRZRVVSJSGZKK-UHFFFAOYSA-N -1 3 314.297 3.667 20 5 DHBDHM C[C@]1(c2ccccc2)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001197343499 1036744399 /nfs/dbraw/zinc/74/43/99/1036744399.db2.gz SYGAAGZPZROAKG-GOSISDBHSA-N -1 3 312.369 3.812 20 5 DHBDHM CN(CCc1cccc2ccccc21)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001185137665 1037034406 /nfs/dbraw/zinc/03/44/06/1037034406.db2.gz VZWNGMSLVQKZGF-UHFFFAOYSA-N -1 3 323.352 3.528 20 5 DHBDHM Cc1cnc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199814416 1037346102 /nfs/dbraw/zinc/34/61/02/1037346102.db2.gz JLIFZVSHFDFHMJ-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM COc1cc(OC)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001199828333 1037352567 /nfs/dbraw/zinc/35/25/67/1037352567.db2.gz GQALUTZFEIYQRA-UHFFFAOYSA-N -1 3 324.720 3.715 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ncnc(Cl)c3c2)c1 ZINC001201231843 1037572714 /nfs/dbraw/zinc/57/27/14/1037572714.db2.gz LNSCRPKSRZOKLH-UHFFFAOYSA-N -1 3 316.704 3.641 20 5 DHBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001151754300 1038103398 /nfs/dbraw/zinc/10/33/98/1038103398.db2.gz WGVOYKJKKUKLLV-UHFFFAOYSA-N -1 3 324.695 3.654 20 5 DHBDHM C/C=C/c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000588930390 1038406477 /nfs/dbraw/zinc/40/64/77/1038406477.db2.gz QJWKYTDPJKSXDV-ONEGZZNKSA-N -1 3 314.341 3.954 20 5 DHBDHM CC[C@@H](CCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599143484 1039056276 /nfs/dbraw/zinc/05/62/76/1039056276.db2.gz SWXCDNCGKWBENT-ZDUSSCGKSA-N -1 3 301.346 3.519 20 5 DHBDHM CC(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596075984 1040299318 /nfs/dbraw/zinc/29/93/18/1040299318.db2.gz MCGDPZBWOOZFJW-ZDUSSCGKSA-N -1 3 301.346 3.547 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596218084 1040339789 /nfs/dbraw/zinc/33/97/89/1040339789.db2.gz UBLUEXYOLZRAIH-YPMHNXCESA-N -1 3 317.320 3.583 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596226084 1040340672 /nfs/dbraw/zinc/34/06/72/1040340672.db2.gz UVOFGOMMFKVJQA-YPMHNXCESA-N -1 3 317.320 3.583 20 5 DHBDHM C[C@@H](c1ccccc1)n1ccc([N-]c2cccnc2[N+](=O)[O-])n1 ZINC000610735268 430566111 /nfs/dbraw/zinc/56/61/11/430566111.db2.gz RPTPWIDCZXALKX-LBPRGKRZSA-N -1 3 309.329 3.539 20 5 DHBDHM CC(C)Cn1cc([N-]c2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000473529507 435142221 /nfs/dbraw/zinc/14/22/21/435142221.db2.gz XQVXPKKMFAGLCK-UHFFFAOYSA-N -1 3 311.345 3.739 20 5 DHBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1ccccc1SC ZINC000427127389 332167961 /nfs/dbraw/zinc/16/79/61/332167961.db2.gz VGIPFBUQCHWHOO-UHFFFAOYSA-N -1 3 318.354 3.578 20 5 DHBDHM CC(C)c1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c([O-])c1 ZINC000291040205 334175864 /nfs/dbraw/zinc/17/58/64/334175864.db2.gz GKRQENHFKXIURU-UHFFFAOYSA-N -1 3 319.361 3.554 20 5 DHBDHM O=C([N-]c1ncccc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000350895638 335890402 /nfs/dbraw/zinc/89/04/02/335890402.db2.gz NWEXTQUBLHIGTC-UHFFFAOYSA-N -1 3 317.688 3.642 20 5 DHBDHM C[C@@H]1C[C@H]1c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)o1 ZINC000372231591 336925708 /nfs/dbraw/zinc/92/57/08/336925708.db2.gz CDPFIJOCYZIPSK-PSASIEDQSA-N -1 3 304.277 3.703 20 5 DHBDHM C[C@H]1C[C@@H]1c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000376536450 337036148 /nfs/dbraw/zinc/03/61/48/337036148.db2.gz XKMMZQBYHRGIFH-YUMQZZPRSA-N -1 3 322.267 3.842 20 5 DHBDHM CSc1cccc(C(=O)Nc2cc(C)ccc2[O-])c1[N+](=O)[O-] ZINC000188078655 337270493 /nfs/dbraw/zinc/27/04/93/337270493.db2.gz XBZJNORQVASSNA-UHFFFAOYSA-N -1 3 318.354 3.583 20 5 DHBDHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000123130415 337947239 /nfs/dbraw/zinc/94/72/39/337947239.db2.gz UURIZEUTGDFIFK-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM COc1cc(-c2nc3cc(F)ccc3s2)c([N+](=O)[O-])cc1[O-] ZINC000436653237 338281706 /nfs/dbraw/zinc/28/17/06/338281706.db2.gz APBCYLPJRZAQGM-UHFFFAOYSA-N -1 3 320.301 3.725 20 5 DHBDHM Cc1ccc(F)c(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1F ZINC000470706215 339325469 /nfs/dbraw/zinc/32/54/69/339325469.db2.gz RTJPRPWNBHMJPI-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1[O-] ZINC000088304920 341398824 /nfs/dbraw/zinc/39/88/24/341398824.db2.gz MAQHMLWILSVVIS-UHFFFAOYSA-N -1 3 320.732 3.525 20 5 DHBDHM O=C(Nc1ncccc1[O-])c1cc2ccccc2c2cccnc12 ZINC000180995424 1017714627 /nfs/dbraw/zinc/71/46/27/1017714627.db2.gz LWZDXLLTNJQBEB-UHFFFAOYSA-N -1 3 315.332 3.741 20 5 DHBDHM Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c([O-])c1 ZINC000080598637 1022970249 /nfs/dbraw/zinc/97/02/49/1022970249.db2.gz JYEWZNMSOQPFHS-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000557184217 1030045589 /nfs/dbraw/zinc/04/55/89/1030045589.db2.gz WVFMYTYZBZLXFA-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1ccccc1[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559107291 1031126991 /nfs/dbraw/zinc/12/69/91/1031126991.db2.gz IHGBIYQNFSGAFI-SFHVURJKSA-N -1 3 312.369 3.946 20 5 DHBDHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1[N+](=O)[O-] ZINC000872054601 1031443714 /nfs/dbraw/zinc/44/37/14/1031443714.db2.gz ZPRUVLPTELBFRC-MNOVXSKESA-N -1 3 304.321 3.851 20 5 DHBDHM Cc1ccc([O-])c(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001153456792 1033621798 /nfs/dbraw/zinc/62/17/98/1033621798.db2.gz ZVQQLYGFDIMHAB-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM Cc1ccc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199801425 1037339798 /nfs/dbraw/zinc/33/97/98/1037339798.db2.gz DQKLKDQFLLJEAK-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1cnc(Br)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815178 1037343236 /nfs/dbraw/zinc/34/32/36/1037343236.db2.gz VRJMOCRGFFDFFI-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM COc1ccc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2c1 ZINC001199815086 1037343768 /nfs/dbraw/zinc/34/37/68/1037343768.db2.gz TUVOQGYMXZJZSS-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)cc(Cl)n2)c1 ZINC001199802288 1037343805 /nfs/dbraw/zinc/34/38/05/1037343805.db2.gz NWGFTOXIPCMLHG-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM CCNc1ccnc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814700 1037344564 /nfs/dbraw/zinc/34/45/64/1037344564.db2.gz NIFUIWLENRELKV-UHFFFAOYSA-N -1 3 308.725 3.524 20 5 DHBDHM Cc1ccc(Br)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828798 1037345381 /nfs/dbraw/zinc/34/53/81/1037345381.db2.gz SWDCEEBVULUCOQ-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Nc1cccc(C(F)(F)F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230029 1037572482 /nfs/dbraw/zinc/57/24/82/1037572482.db2.gz UZOBDGKLTBKBBF-UHFFFAOYSA-N -1 3 313.235 3.645 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Oc3ncccn3)cc2)c1 ZINC001201222401 1037580632 /nfs/dbraw/zinc/58/06/32/1037580632.db2.gz NMABHSQWUPXEAW-UHFFFAOYSA-N -1 3 324.296 3.626 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(O)cc2C(F)(F)F)c1 ZINC001201225072 1037581153 /nfs/dbraw/zinc/58/11/53/1037581153.db2.gz ZLADKXDJEVEWQF-UHFFFAOYSA-N -1 3 314.219 3.768 20 5 DHBDHM CC(C)(C)c1ccc(N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221651 1037581450 /nfs/dbraw/zinc/58/14/50/1037581450.db2.gz CLUQWRHYAHIWMX-UHFFFAOYSA-N -1 3 301.346 3.924 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cc(Cl)cc2F)c1 ZINC001201222892 1037581987 /nfs/dbraw/zinc/58/19/87/1037581987.db2.gz RPJYFHJZGQMHSM-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)cc(F)c2Cl)c1 ZINC001201224489 1037582647 /nfs/dbraw/zinc/58/26/47/1037582647.db2.gz OKOMWQHKBCDPRH-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM CC(C)Cc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599114882 1039051378 /nfs/dbraw/zinc/05/13/78/1039051378.db2.gz HOLLFUXWVCDCME-UHFFFAOYSA-N -1 3 301.346 3.506 20 5 DHBDHM C[C@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000486449137 435599645 /nfs/dbraw/zinc/59/96/45/435599645.db2.gz ILAXVROTLVNVHK-NSHDSACASA-N -1 3 310.313 3.818 20 5 DHBDHM Cc1ccc(-n2cc([N-]c3ncc([N+](=O)[O-])s3)cn2)c(C)c1 ZINC000409655249 332044082 /nfs/dbraw/zinc/04/40/82/332044082.db2.gz ZKFVPCSYNDTKND-UHFFFAOYSA-N -1 3 315.358 3.597 20 5 DHBDHM CC(C)Cn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C1CC1 ZINC000340943185 334395522 /nfs/dbraw/zinc/39/55/22/334395522.db2.gz XDMFRVFSXXHZCZ-UHFFFAOYSA-N -1 3 307.379 3.525 20 5 DHBDHM Cc1c([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cnn1CC(C)C ZINC000359083301 336656946 /nfs/dbraw/zinc/65/69/46/336656946.db2.gz NXOLZJJGNBFBFI-UHFFFAOYSA-N -1 3 303.366 3.511 20 5 DHBDHM COc1cccc(C(=O)[N-]c2ccccc2SC)c1[N+](=O)[O-] ZINC000193791887 337080094 /nfs/dbraw/zinc/08/00/94/337080094.db2.gz RWCBWMQDOUWLLV-UHFFFAOYSA-N -1 3 318.354 3.578 20 5 DHBDHM CCC(CC)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)on1 ZINC000131092700 337436182 /nfs/dbraw/zinc/43/61/82/337436182.db2.gz UPHAAGVQGQPTQN-UHFFFAOYSA-N -1 3 303.318 3.739 20 5 DHBDHM Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c([O-])c1 ZINC000084796663 338005069 /nfs/dbraw/zinc/00/50/69/338005069.db2.gz OOIJIFKJHLTXDN-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770368 338286742 /nfs/dbraw/zinc/28/67/42/338286742.db2.gz QRPDVWTUBJEEAW-XCVCLJGOSA-N -1 3 309.281 3.521 20 5 DHBDHM CCc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000472554611 339373781 /nfs/dbraw/zinc/37/37/81/339373781.db2.gz OJDNAXONWZTGRQ-UHFFFAOYSA-N -1 3 320.732 3.769 20 5 DHBDHM O=C([N-]c1ccc(F)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000492834900 339910032 /nfs/dbraw/zinc/91/00/32/339910032.db2.gz IVOBMRJTSRNDFL-UHFFFAOYSA-N -1 3 318.235 3.872 20 5 DHBDHM CC(C)Oc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000194585385 340593767 /nfs/dbraw/zinc/59/37/67/340593767.db2.gz UQYQXUYATFHWIO-UHFFFAOYSA-N -1 3 324.333 3.835 20 5 DHBDHM CCCN(CCc1cccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549554562 341297620 /nfs/dbraw/zinc/29/76/20/341297620.db2.gz LWLLRXTYFBHKEE-UHFFFAOYSA-N -1 3 320.414 3.817 20 5 DHBDHM O=c1[n-]c(-c2ccc([N+](=O)[O-])s2)nc2cc3ccccc3cc12 ZINC000165072563 341672448 /nfs/dbraw/zinc/67/24/48/341672448.db2.gz SJNKXUFDSAFUHE-UHFFFAOYSA-N -1 3 323.333 3.713 20 5 DHBDHM CCC[C@]1(C)CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593738973 974984984 /nfs/dbraw/zinc/98/49/84/974984984.db2.gz RJRATKQADZQOQY-QGZVFWFLSA-N -1 3 320.389 3.695 20 5 DHBDHM CC[C@H](C)n1ncc([N-]c2ncccc2[N+](=O)[O-])c1C1CC1 ZINC000342800268 1025410189 /nfs/dbraw/zinc/41/01/89/1025410189.db2.gz QLAPFAXBDWHVQW-JTQLQIEISA-N -1 3 301.350 3.778 20 5 DHBDHM O=c1cc(C=Cc2cc([N+](=O)[O-])ccc2Cl)nc(C2CC2)[n-]1 ZINC000806563983 1025924491 /nfs/dbraw/zinc/92/44/91/1025924491.db2.gz GOBXQRFDWLOOIH-ONEGZZNKSA-N -1 3 317.732 3.792 20 5 DHBDHM COc1cc(CNc2ccc(C)c(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000864018728 1034257855 /nfs/dbraw/zinc/25/78/55/1034257855.db2.gz SEXCQKAULKRNPS-UHFFFAOYSA-N -1 3 322.748 3.883 20 5 DHBDHM COC(=O)c1c(C)c(C)sc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801419 1037340574 /nfs/dbraw/zinc/34/05/74/1037340574.db2.gz DNKXUZIOWGITRT-UHFFFAOYSA-N -1 3 322.342 3.509 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc3ccccc3nc2Cl)c1 ZINC001199802085 1037342789 /nfs/dbraw/zinc/34/27/89/1037342789.db2.gz LCGWREFZVDUQDS-UHFFFAOYSA-N -1 3 316.704 3.641 20 5 DHBDHM COc1cnc2c(cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201229158 1037572782 /nfs/dbraw/zinc/57/27/82/1037572782.db2.gz FTJCEFQXAAVYHF-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc2cccnc21 ZINC001201229774 1037574628 /nfs/dbraw/zinc/57/46/28/1037574628.db2.gz SATUEWVJMRSWEM-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM CC(=O)Nc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001201222846 1037580357 /nfs/dbraw/zinc/58/03/57/1037580357.db2.gz PZQCWWZBPLCSCR-UHFFFAOYSA-N -1 3 321.720 3.656 20 5 DHBDHM CC(C)OC(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224654 1037580429 /nfs/dbraw/zinc/58/04/29/1037580429.db2.gz OZIHJUVHWWZEEH-UHFFFAOYSA-N -1 3 316.313 3.609 20 5 DHBDHM CC1(C)Oc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2O1 ZINC001201221539 1037580490 /nfs/dbraw/zinc/58/04/90/1037580490.db2.gz DFLPNRLUZZSEHQ-UHFFFAOYSA-N -1 3 302.286 3.551 20 5 DHBDHM CN(CCC1CCCCC1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734145 1039127280 /nfs/dbraw/zinc/12/72/80/1039127280.db2.gz VMIFDWMWRHDHGB-UHFFFAOYSA-N -1 3 320.389 3.695 20 5 DHBDHM CC(C)(C)C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593734150 1039128550 /nfs/dbraw/zinc/12/85/50/1039128550.db2.gz WKAIRLWQTQUQGD-UHFFFAOYSA-N -1 3 320.389 3.551 20 5 DHBDHM CCC(C)(C)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596174120 1040337387 /nfs/dbraw/zinc/33/73/87/1040337387.db2.gz BESHJDDJMLJRAM-UHFFFAOYSA-N -1 3 315.373 3.995 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596226081 1040342331 /nfs/dbraw/zinc/34/23/31/1040342331.db2.gz UVOFGOMMFKVJQA-AAEUAGOBSA-N -1 3 317.320 3.583 20 5 DHBDHM Cc1cc([N-]c2ncc([N+](=O)[O-])cc2C)nn1[C@@H](C)C1CC1 ZINC000542258686 430206623 /nfs/dbraw/zinc/20/66/23/430206623.db2.gz CTUSXSJEORPXFU-NSHDSACASA-N -1 3 301.350 3.518 20 5 DHBDHM CCc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1CCC(C)C ZINC000409643716 332041871 /nfs/dbraw/zinc/04/18/71/332041871.db2.gz DWTGGTULWKLLGV-UHFFFAOYSA-N -1 3 309.395 3.600 20 5 DHBDHM CSc1cccc(C)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000184627334 335305148 /nfs/dbraw/zinc/30/51/48/335305148.db2.gz DXPCVHUOSWTNKW-UHFFFAOYSA-N -1 3 308.384 3.939 20 5 DHBDHM CCc1csc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000346899650 335449648 /nfs/dbraw/zinc/44/96/48/335449648.db2.gz JDLVYMHSRQQPPF-UHFFFAOYSA-N -1 3 311.750 3.519 20 5 DHBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(F)c2)c2ccncc21 ZINC000301345718 336301734 /nfs/dbraw/zinc/30/17/34/336301734.db2.gz GREQDQBGTCQYSH-UHFFFAOYSA-N -1 3 313.288 3.600 20 5 DHBDHM CCc1c([N-]c2ncc(Cl)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000301825973 336332641 /nfs/dbraw/zinc/33/26/41/336332641.db2.gz MPKSNSLIIJEBOD-UHFFFAOYSA-N -1 3 323.784 3.802 20 5 DHBDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000057289366 337857731 /nfs/dbraw/zinc/85/77/31/337857731.db2.gz IJCQHOMXZBVFQH-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436890044 338291869 /nfs/dbraw/zinc/29/18/69/338291869.db2.gz DHNXSZUDPXQUIZ-ZHACJKMWSA-N -1 3 323.308 3.911 20 5 DHBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc([C@@H](C)CC)no1 ZINC000464721224 339149955 /nfs/dbraw/zinc/14/99/55/339149955.db2.gz VYOKIGBHTDHQOY-JTQLQIEISA-N -1 3 317.345 3.911 20 5 DHBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072505896 341087597 /nfs/dbraw/zinc/08/75/97/341087597.db2.gz BTWQRROMICKKPW-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM Cc1ccc([C@@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000549932459 341307228 /nfs/dbraw/zinc/30/72/28/341307228.db2.gz SJYYBCZVKIGBJL-OAHLLOKOSA-N -1 3 312.369 3.598 20 5 DHBDHM C[C@H](NCc1cccc([O-])c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000328482947 1014182755 /nfs/dbraw/zinc/18/27/55/1014182755.db2.gz QFOUJMPTWVWWPT-JTQLQIEISA-N -1 3 306.749 3.805 20 5 DHBDHM CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])cc1 ZINC001595300390 980434076 /nfs/dbraw/zinc/43/40/76/980434076.db2.gz PNSNEECDPOVMSC-MRXNPFEDSA-N -1 3 314.341 3.534 20 5 DHBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1cc(Cl)c(Cl)[n-]1 ZINC000919046550 1021704560 /nfs/dbraw/zinc/70/45/60/1021704560.db2.gz LFUCSIXILWLAMX-UHFFFAOYSA-N -1 3 321.141 3.648 20 5 DHBDHM O=C([N-]c1cc(Cl)cc(F)c1F)c1csc([N+](=O)[O-])c1 ZINC000441604998 1024807449 /nfs/dbraw/zinc/80/74/49/1024807449.db2.gz VLHWICJAMSPKHZ-UHFFFAOYSA-N -1 3 318.688 3.840 20 5 DHBDHM c1nn[n-]c1-c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212800270 1025127904 /nfs/dbraw/zinc/12/79/04/1025127904.db2.gz ZSEUTBNYFYLKKA-UHFFFAOYSA-N -1 3 313.320 3.828 20 5 DHBDHM c1[n-]nnc1-c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212800270 1025127988 /nfs/dbraw/zinc/12/79/88/1025127988.db2.gz ZSEUTBNYFYLKKA-UHFFFAOYSA-N -1 3 313.320 3.828 20 5 DHBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1coc(C2CCC2)n1 ZINC000813246552 1027581503 /nfs/dbraw/zinc/58/15/03/1027581503.db2.gz NVQTYQATHVYIRM-UHFFFAOYSA-N -1 3 321.720 3.756 20 5 DHBDHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000872026394 1031410819 /nfs/dbraw/zinc/41/08/19/1031410819.db2.gz AFBIEDWZXJOGIM-MNOVXSKESA-N -1 3 304.321 3.851 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(Br)n1 ZINC001199814053 1037342923 /nfs/dbraw/zinc/34/29/23/1037342923.db2.gz CKCABQZJOIIFRN-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccncc2Oc2ccccc2)c1 ZINC001199802818 1037342966 /nfs/dbraw/zinc/34/29/66/1037342966.db2.gz ZCPANRLUKYOFHZ-UHFFFAOYSA-N -1 3 323.308 3.653 20 5 DHBDHM Cc1c(Br)cncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814742 1037343833 /nfs/dbraw/zinc/34/38/33/1037343833.db2.gz OHPKQGDZCVBOLL-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-c3ccccn3)nc2)c1 ZINC001199828324 1037352174 /nfs/dbraw/zinc/35/21/74/1037352174.db2.gz GMEBCIZNMKBBQL-UHFFFAOYSA-N -1 3 308.297 3.501 20 5 DHBDHM O=c1[n-]ccc(Sc2cc(Cl)ccc2F)c1[N+](=O)[O-] ZINC001186396992 1037385661 /nfs/dbraw/zinc/38/56/61/1037385661.db2.gz NFPRAQRLCGVJTF-UHFFFAOYSA-N -1 3 300.698 3.639 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)cc3ncoc32)c1 ZINC001201232651 1037573995 /nfs/dbraw/zinc/57/39/95/1037573995.db2.gz SYYJYQGQUSRVRD-UHFFFAOYSA-N -1 3 305.677 3.839 20 5 DHBDHM CC(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596075983 1040299444 /nfs/dbraw/zinc/29/94/44/1040299444.db2.gz MCGDPZBWOOZFJW-CYBMUJFWSA-N -1 3 301.346 3.547 20 5 DHBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000596094872 1040307108 /nfs/dbraw/zinc/30/71/08/1040307108.db2.gz NWVBHPDOVQTTEH-UHFFFAOYSA-N -1 3 321.764 3.739 20 5 DHBDHM CC(C)c1ccc(C[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596179608 1040322828 /nfs/dbraw/zinc/32/28/28/1040322828.db2.gz MXMGZYBLBIDRCC-LBPRGKRZSA-N -1 3 315.373 3.862 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596203074 1040330850 /nfs/dbraw/zinc/33/08/50/1040330850.db2.gz KUDWMCHASUIDQB-UONOGXRCSA-N -1 3 313.357 3.519 20 5 DHBDHM O=C([N-]c1nc2ccsc2s1)c1ccc([N+](=O)[O-])s1 ZINC000344341883 335242581 /nfs/dbraw/zinc/24/25/81/335242581.db2.gz ZONPXHCYDFMZFR-UHFFFAOYSA-N -1 3 311.369 3.580 20 5 DHBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc([O-])cc(F)c1 ZINC000352002314 336188038 /nfs/dbraw/zinc/18/80/38/336188038.db2.gz KQGUITWISUEYGR-UHFFFAOYSA-N -1 3 318.348 3.850 20 5 DHBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000352183456 336200043 /nfs/dbraw/zinc/20/00/43/336200043.db2.gz DOQABAIBCGJWRN-UHFFFAOYSA-N -1 3 317.301 3.596 20 5 DHBDHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000173018810 337133021 /nfs/dbraw/zinc/13/30/21/337133021.db2.gz SOLXURAOUUKXTO-UHFFFAOYSA-N -1 3 322.324 3.546 20 5 DHBDHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C(C)(C)C ZINC000458299705 338995230 /nfs/dbraw/zinc/99/52/30/338995230.db2.gz IBCFPWAGAGHUPI-UHFFFAOYSA-N -1 3 323.374 3.757 20 5 DHBDHM CC[C@@H](C)n1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000477707007 339499453 /nfs/dbraw/zinc/49/94/53/339499453.db2.gz XFDCYEZZZLZBKD-MRVPVSSYSA-N -1 3 309.757 3.863 20 5 DHBDHM CCc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1C ZINC000482760456 339641876 /nfs/dbraw/zinc/64/18/76/339641876.db2.gz HVNMJUMJZFCXAQ-UHFFFAOYSA-N -1 3 324.340 3.594 20 5 DHBDHM Cc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)ccc1[N+](=O)[O-] ZINC000072506013 341087584 /nfs/dbraw/zinc/08/75/84/341087584.db2.gz PAXNTMPXAZMUAA-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM CCc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1[O-] ZINC000546260631 341160176 /nfs/dbraw/zinc/16/01/76/341160176.db2.gz VMGPKNDHAKARJW-UHFFFAOYSA-N -1 3 311.297 3.580 20 5 DHBDHM CC(C)(C)c1ncsc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000266976277 519119805 /nfs/dbraw/zinc/11/98/05/519119805.db2.gz WMCKDJGWPSWBFK-UHFFFAOYSA-N -1 3 323.349 3.740 20 5 DHBDHM Cc1cc(F)cc(C(=O)[N-]c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000175726793 1012277599 /nfs/dbraw/zinc/27/75/99/1012277599.db2.gz GGULXXWWIRFPRT-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM CCOC(=O)c1cnc([N-]c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001206145132 1032816784 /nfs/dbraw/zinc/81/67/84/1032816784.db2.gz YFZFMWXCQKBGLD-UHFFFAOYSA-N -1 3 321.720 3.564 20 5 DHBDHM Cc1cc(F)c([N-]C(=O)c2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000282473750 1020568815 /nfs/dbraw/zinc/56/88/15/1020568815.db2.gz PNZDOVKMZXJVRO-UHFFFAOYSA-N -1 3 323.349 3.875 20 5 DHBDHM CCCc1ncc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)s1 ZINC000282503122 1020634960 /nfs/dbraw/zinc/63/49/60/1020634960.db2.gz ZBINHQYWLLXOCJ-UHFFFAOYSA-N -1 3 323.349 3.704 20 5 DHBDHM Cc1cccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000618469113 1021397057 /nfs/dbraw/zinc/39/70/57/1021397057.db2.gz OQVIWQHOAVBDNG-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM CCCCN(C)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853296940 1022253082 /nfs/dbraw/zinc/25/30/82/1022253082.db2.gz PETIZMKIMOHCMZ-UHFFFAOYSA-N -1 3 316.361 3.675 20 5 DHBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000353902020 1025286159 /nfs/dbraw/zinc/28/61/59/1025286159.db2.gz SXFDTQVLRJSYTM-KRWDZBQOSA-N -1 3 302.374 3.623 20 5 DHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000578864369 1028258915 /nfs/dbraw/zinc/25/89/15/1028258915.db2.gz HRRXWZQDMSJSGB-NWDGAFQWSA-N -1 3 318.295 3.511 20 5 DHBDHM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(C)C)on2)cc1Cl ZINC001135190240 1028612973 /nfs/dbraw/zinc/61/29/73/1028612973.db2.gz GGQCURPXSYNDKL-UHFFFAOYSA-N -1 3 323.736 3.920 20 5 DHBDHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc([N+](=O)[O-])c1 ZINC000533614741 1030470348 /nfs/dbraw/zinc/47/03/48/1030470348.db2.gz ACVNWJLRTBURCC-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc([O-])c1F ZINC000872054603 1031442473 /nfs/dbraw/zinc/44/24/73/1031442473.db2.gz ZPRUVLPTELBFRC-WDEREUQCSA-N -1 3 304.321 3.851 20 5 DHBDHM COc1ccc2cccnc2c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201232469 1037572583 /nfs/dbraw/zinc/57/25/83/1037572583.db2.gz PWXBLFCBWYZHQA-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM Cc1nccn1-c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201221523 1037579525 /nfs/dbraw/zinc/57/95/25/1037579525.db2.gz CXWIPZQWRYUQBS-UHFFFAOYSA-N -1 3 310.313 3.538 20 5 DHBDHM Cc1cc(OC(F)F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223171 1037581787 /nfs/dbraw/zinc/58/17/87/1037581787.db2.gz VMUNINOONXMJGT-UHFFFAOYSA-N -1 3 310.256 3.954 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CCCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000599174040 1039072029 /nfs/dbraw/zinc/07/20/29/1039072029.db2.gz IXYOHNQMKJHJAF-LBPRGKRZSA-N -1 3 319.748 3.838 20 5 DHBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596085544 1040302897 /nfs/dbraw/zinc/30/28/97/1040302897.db2.gz XLBVUFVAFVTMRU-UHFFFAOYSA-N -1 3 321.764 3.739 20 5 DHBDHM CC[C@@H](Cc1ccc(Cl)cc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596132118 1040312705 /nfs/dbraw/zinc/31/27/05/1040312705.db2.gz GVSCGECWMUVIAD-LBPRGKRZSA-N -1 3 321.764 3.782 20 5 DHBDHM CCC(CC)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596141878 1040315625 /nfs/dbraw/zinc/31/56/25/1040315625.db2.gz MHXPJBMZMOUDPU-UHFFFAOYSA-N -1 3 315.373 3.865 20 5 DHBDHM CCOc1ccc(C(=O)[N-]c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000046930939 183573500 /nfs/dbraw/zinc/57/35/00/183573500.db2.gz CYLQSTWVMYJVAG-UHFFFAOYSA-N -1 3 322.267 3.524 20 5 DHBDHM C[C@H](c1ccccc1)n1ccc([N-]c2ccc([N+](=O)[O-])cn2)n1 ZINC000610735260 430565838 /nfs/dbraw/zinc/56/58/38/430565838.db2.gz QZBQSXQTWUONGF-GFCCVEGCSA-N -1 3 309.329 3.539 20 5 DHBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000561541278 332461382 /nfs/dbraw/zinc/46/13/82/332461382.db2.gz FCALLIBEGXVDAM-CHWSQXEVSA-N -1 3 300.358 3.582 20 5 DHBDHM O=C([N-]c1cc(Cl)c(Cl)cn1)c1ccc([N+](=O)[O-])s1 ZINC000443962480 332646787 /nfs/dbraw/zinc/64/67/87/332646787.db2.gz SJTDLHYVSZJDME-UHFFFAOYSA-N -1 3 318.141 3.610 20 5 DHBDHM CSc1ccccc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344222018 335229827 /nfs/dbraw/zinc/22/98/27/335229827.db2.gz RGJBLEZOQZAJEF-UHFFFAOYSA-N -1 3 306.318 3.708 20 5 DHBDHM Cc1c([N-]c2ncc(Cl)cc2[N+](=O)[O-])cnn1CCC(C)C ZINC000301784931 336329609 /nfs/dbraw/zinc/32/96/09/336329609.db2.gz LBYOFUSSFUBBJB-UHFFFAOYSA-N -1 3 323.784 3.938 20 5 DHBDHM C[C@H](C1CC1)n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000302458363 336359158 /nfs/dbraw/zinc/35/91/58/336359158.db2.gz UCKNLVPVHUFFNX-MRVPVSSYSA-N -1 3 307.741 3.554 20 5 DHBDHM CSc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1[N+](=O)[O-] ZINC000183032499 337191022 /nfs/dbraw/zinc/19/10/22/337191022.db2.gz MJIPFTNZQDHUTA-UHFFFAOYSA-N -1 3 318.354 3.583 20 5 DHBDHM CCc1c([N-]c2ncccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000491652399 339871215 /nfs/dbraw/zinc/87/12/15/339871215.db2.gz FFPBMEMSOLOYBT-UHFFFAOYSA-N -1 3 303.366 3.538 20 5 DHBDHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000575937662 341816054 /nfs/dbraw/zinc/81/60/54/341816054.db2.gz IPOSTJODUDQDKY-SECBINFHSA-N -1 3 320.732 3.696 20 5 DHBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1coc(C2CCCC2)n1 ZINC000337993236 527124243 /nfs/dbraw/zinc/12/42/43/527124243.db2.gz FFVLJZIKDLGVLE-UHFFFAOYSA-N -1 3 319.292 3.632 20 5 DHBDHM CCC1(CC)CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000594734433 974991741 /nfs/dbraw/zinc/99/17/41/974991741.db2.gz ZQJPCMWZEFOJAY-UHFFFAOYSA-N -1 3 320.389 3.695 20 5 DHBDHM CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])cc1 ZINC001595300389 980434089 /nfs/dbraw/zinc/43/40/89/980434089.db2.gz PNSNEECDPOVMSC-INIZCTEOSA-N -1 3 314.341 3.534 20 5 DHBDHM Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000477292201 1015185491 /nfs/dbraw/zinc/18/54/91/1015185491.db2.gz BMNRDEIHBORLRI-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM COc1c([O-])ccc(CNc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000892258684 1016678721 /nfs/dbraw/zinc/67/87/21/1016678721.db2.gz FENBLHCJPLVDRI-UHFFFAOYSA-N -1 3 302.330 3.538 20 5 DHBDHM O=[N+]([O-])c1ccccc1[N-]c1nc2ccccc2nc1Cl ZINC001206144963 1032814488 /nfs/dbraw/zinc/81/44/88/1032814488.db2.gz VOAKNHOMLPVQGL-UHFFFAOYSA-N -1 3 300.705 3.935 20 5 DHBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(F)c2)c2ncccc12 ZINC000078020253 1027249919 /nfs/dbraw/zinc/24/99/19/1027249919.db2.gz SLXQJOYJBCZVHF-UHFFFAOYSA-N -1 3 313.288 3.600 20 5 DHBDHM C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769203 1028260686 /nfs/dbraw/zinc/26/06/86/1028260686.db2.gz NQOMFOJPUNTFGP-JSGCOSHPSA-N -1 3 306.406 3.947 20 5 DHBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000928787531 1031383100 /nfs/dbraw/zinc/38/31/00/1031383100.db2.gz NEFLIXIZPXGDBY-UHFFFAOYSA-N -1 3 323.736 3.920 20 5 DHBDHM Cc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1Br ZINC001199800701 1037341152 /nfs/dbraw/zinc/34/11/52/1037341152.db2.gz DVVIVRGNCMVUKG-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1cc(C(F)(F)F)ncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801310 1037341228 /nfs/dbraw/zinc/34/12/28/1037341228.db2.gz CRMZACCUUUDREG-UHFFFAOYSA-N -1 3 313.235 3.766 20 5 DHBDHM Cc1ncc(Br)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814604 1037343553 /nfs/dbraw/zinc/34/35/53/1037343553.db2.gz LKGLZUYCUCNBIQ-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM CCOC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001201222860 1037579677 /nfs/dbraw/zinc/57/96/77/1037579677.db2.gz UJGAPEMNKRNOMK-UHFFFAOYSA-N -1 3 316.313 3.529 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c(Cl)c2F)c1 ZINC001201222437 1037579786 /nfs/dbraw/zinc/57/97/86/1037579786.db2.gz LGQBKXMPQJLDDN-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM CCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1OCC ZINC001201223597 1037581914 /nfs/dbraw/zinc/58/19/14/1037581914.db2.gz CUXRERWZLOGMTK-UHFFFAOYSA-N -1 3 318.329 3.841 20 5 DHBDHM C/C=C\c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000588930381 1038407646 /nfs/dbraw/zinc/40/76/46/1038407646.db2.gz QJWKYTDPJKSXDV-ARJAWSKDSA-N -1 3 314.341 3.954 20 5 DHBDHM CCc1ccc(C(C)(C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596159976 1040330029 /nfs/dbraw/zinc/33/00/29/1040330029.db2.gz ULMRUNHNVKXHOO-UHFFFAOYSA-N -1 3 315.373 3.648 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000596250903 1040346368 /nfs/dbraw/zinc/34/63/68/1040346368.db2.gz VTYBVLUYGPEDOA-MGCOHNPYSA-N -1 3 319.748 3.707 20 5 DHBDHM O=c1[n-]ccc(N[C@H](C2CCC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000596293772 1040358478 /nfs/dbraw/zinc/35/84/78/1040358478.db2.gz XMYUBXVZMZSCJX-AWEZNQCLSA-N -1 3 305.378 3.856 20 5 DHBDHM CC(C)Cc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cs1 ZINC000063572672 1040371452 /nfs/dbraw/zinc/37/14/52/1040371452.db2.gz DUDUOARKGKZRCF-UHFFFAOYSA-N -1 3 323.349 3.641 20 5 DHBDHM Cc1oc(C(C)C)nc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000288701277 131336492 /nfs/dbraw/zinc/33/64/92/131336492.db2.gz DUSPFWGEKBDJPP-UHFFFAOYSA-N -1 3 321.308 3.714 20 5 DHBDHM CC(C)(C)c1ccc(NC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000557158411 331773339 /nfs/dbraw/zinc/77/33/39/331773339.db2.gz CIZUOIVSDIWXTR-UHFFFAOYSA-N -1 3 314.341 3.850 20 5 DHBDHM CCc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1C(CC)CC ZINC000409662320 332044779 /nfs/dbraw/zinc/04/47/79/332044779.db2.gz AXYCUKFGMCHHAE-UHFFFAOYSA-N -1 3 309.395 3.915 20 5 DHBDHM CC(C)c1nc2ccc([N-]c3ncc([N+](=O)[O-])cn3)cc2s1 ZINC000302158708 336351431 /nfs/dbraw/zinc/35/14/31/336351431.db2.gz NZSTUHNVRSYKTD-UHFFFAOYSA-N -1 3 315.358 3.862 20 5 DHBDHM CSc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1[N+](=O)[O-] ZINC000188023573 337270227 /nfs/dbraw/zinc/27/02/27/337270227.db2.gz DSQVGNZVYLEUGV-UHFFFAOYSA-N -1 3 318.354 3.583 20 5 DHBDHM Cc1ccc(F)c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1F ZINC000499662968 340042376 /nfs/dbraw/zinc/04/23/76/340042376.db2.gz RWZXBMOAYGMKPR-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM COc1ccc(F)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000088226407 340459512 /nfs/dbraw/zinc/45/95/12/340459512.db2.gz OMGGQXYDBDJPPX-UHFFFAOYSA-N -1 3 324.695 3.648 20 5 DHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[O-] ZINC000125916917 340815390 /nfs/dbraw/zinc/81/53/90/340815390.db2.gz UDPFYVQSZSRXHU-UHFFFAOYSA-N -1 3 318.354 3.665 20 5 DHBDHM C[C@H]1C[C@H](c2ccccc2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845233 341304940 /nfs/dbraw/zinc/30/49/40/341304940.db2.gz HXOYPVJSOJSFLK-ZFWWWQNUSA-N -1 3 312.369 3.678 20 5 DHBDHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)cc([N+](=O)[O-])c1 ZINC000565510354 341529596 /nfs/dbraw/zinc/52/95/96/341529596.db2.gz RCMJRZLASIIZHF-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000573331294 341725112 /nfs/dbraw/zinc/72/51/12/341725112.db2.gz ULBXLYCSRKQOSB-ZDUSSCGKSA-N -1 3 320.389 3.541 20 5 DHBDHM CC(C)c1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000339194309 519860011 /nfs/dbraw/zinc/86/00/11/519860011.db2.gz LQPZFXTXUMUGEU-UHFFFAOYSA-N -1 3 309.322 3.566 20 5 DHBDHM CCCc1nc(C)c(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)o1 ZINC000297939086 535495680 /nfs/dbraw/zinc/49/56/80/535495680.db2.gz ZBJLVJZBLOKZLN-UHFFFAOYSA-N -1 3 323.736 3.749 20 5 DHBDHM CC[C@H](CCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599143480 1013616989 /nfs/dbraw/zinc/61/69/89/1013616989.db2.gz SWXCDNCGKWBENT-CYBMUJFWSA-N -1 3 301.346 3.519 20 5 DHBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1[O-] ZINC000477158989 1015099773 /nfs/dbraw/zinc/09/97/73/1015099773.db2.gz CDHCXXUOJPHLMA-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1cccc([O-])c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000179555269 1020408512 /nfs/dbraw/zinc/40/85/12/1020408512.db2.gz SUWZICKXBQGOAK-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2cccc(F)c2o1 ZINC000741889180 1021066534 /nfs/dbraw/zinc/06/65/34/1021066534.db2.gz RSUCZBTVGORGNM-UHFFFAOYSA-N -1 3 318.235 3.872 20 5 DHBDHM O=c1cc(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000806563979 1025924349 /nfs/dbraw/zinc/92/43/49/1025924349.db2.gz GNOGIKDWJZFJGS-ORCRQEGFSA-N -1 3 317.732 3.792 20 5 DHBDHM CC[C@@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000413214528 1026776412 /nfs/dbraw/zinc/77/64/12/1026776412.db2.gz LZHXUFPPWZNBAS-SECBINFHSA-N -1 3 319.340 3.917 20 5 DHBDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001132753514 1026980555 /nfs/dbraw/zinc/98/05/55/1026980555.db2.gz XVMIXTBZURAZOT-VIFPVBQESA-N -1 3 321.716 3.872 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2ccsc2n1 ZINC001199828787 1037343287 /nfs/dbraw/zinc/34/32/87/1037343287.db2.gz SMQSEYZSKXOQCM-UHFFFAOYSA-N -1 3 301.327 3.962 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2snnc2-c2ccccc2)c1 ZINC001199815226 1037344627 /nfs/dbraw/zinc/34/46/27/1037344627.db2.gz WYBXXZCUQLLDMG-UHFFFAOYSA-N -1 3 314.326 3.563 20 5 DHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2ncccc12 ZINC001201224163 1037580519 /nfs/dbraw/zinc/58/05/19/1037580519.db2.gz JQVPPWUAHQWWAM-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cc(F)cc2Cl)c1 ZINC001201221656 1037581479 /nfs/dbraw/zinc/58/14/79/1037581479.db2.gz CQLCICZMZYFLLB-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM COc1cc2cccnc2c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222092 1037581760 /nfs/dbraw/zinc/58/17/60/1037581760.db2.gz KIAAVQLPCKUSAB-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(F)c(F)c2F)c1 ZINC001201222840 1037581817 /nfs/dbraw/zinc/58/18/17/1037581817.db2.gz SZYJXDWNZKMSDD-UHFFFAOYSA-N -1 3 302.183 3.600 20 5 DHBDHM Cc1nocc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000603097003 1038809923 /nfs/dbraw/zinc/80/99/23/1038809923.db2.gz ZSWGDXIJPDZYON-UHFFFAOYSA-N -1 3 321.358 3.644 20 5 DHBDHM CC(C)[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000599157518 1039066414 /nfs/dbraw/zinc/06/64/14/1039066414.db2.gz WQWXVJXIEUNHAO-ZFWWWQNUSA-N -1 3 313.357 3.992 20 5 DHBDHM CC(C)C1(C)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593740901 1039147258 /nfs/dbraw/zinc/14/72/58/1039147258.db2.gz DXOUCMUOYCOGQF-UHFFFAOYSA-N -1 3 320.389 3.551 20 5 DHBDHM CC(C)(C)c1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596074312 1040301161 /nfs/dbraw/zinc/30/11/61/1040301161.db2.gz QLKWDMORACYJPA-UHFFFAOYSA-N -1 3 315.373 3.648 20 5 DHBDHM CC(C)(C)OCc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596155699 1040319227 /nfs/dbraw/zinc/31/92/27/1040319227.db2.gz VKQGFOVSYIOAEU-UHFFFAOYSA-N -1 3 317.345 3.754 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596208619 1040339083 /nfs/dbraw/zinc/33/90/83/1040339083.db2.gz ZXRFFNASLPAJDT-ZIAGYGMSSA-N -1 3 313.357 3.834 20 5 DHBDHM Cc1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1[O-] ZINC000534704284 334328482 /nfs/dbraw/zinc/32/84/82/334328482.db2.gz GYDPJCRALRBFTE-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000532026280 334378887 /nfs/dbraw/zinc/37/88/87/334378887.db2.gz XXHYSIFAGRJBCP-UHFFFAOYSA-N -1 3 314.341 3.525 20 5 DHBDHM Cc1cccc([O-])c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000352647744 336228469 /nfs/dbraw/zinc/22/84/69/336228469.db2.gz YSZIQFOBFDMNSP-UHFFFAOYSA-N -1 3 312.281 3.607 20 5 DHBDHM CC(C)c1scnc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000361717849 336769807 /nfs/dbraw/zinc/76/98/07/336769807.db2.gz RHYUEDKDYLUVOQ-UHFFFAOYSA-N -1 3 309.322 3.566 20 5 DHBDHM C[C@@H]1C[C@@H]1c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000376536449 337036128 /nfs/dbraw/zinc/03/61/28/337036128.db2.gz XKMMZQBYHRGIFH-SFYZADRCSA-N -1 3 322.267 3.842 20 5 DHBDHM Cc1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000431272388 338127079 /nfs/dbraw/zinc/12/70/79/338127079.db2.gz WNOZEKSURFKBBZ-UHFFFAOYSA-N -1 3 314.341 3.525 20 5 DHBDHM O=[N+]([O-])c1cccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436771346 338286850 /nfs/dbraw/zinc/28/68/50/338286850.db2.gz ZUKPTLXQMZMLDB-WTKPLQERSA-N -1 3 309.281 3.521 20 5 DHBDHM C/C(=C\c1nc(-c2ccc([O-])cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000436819344 338288397 /nfs/dbraw/zinc/28/83/97/338288397.db2.gz HXDMHEXEGRNETC-ZHACJKMWSA-N -1 3 323.308 3.911 20 5 DHBDHM Cc1cccc([O-])c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000183039351 340486199 /nfs/dbraw/zinc/48/61/99/340486199.db2.gz FQUBAMTYMLQRLA-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1[O-] ZINC000523942836 340644574 /nfs/dbraw/zinc/64/45/74/340644574.db2.gz HRVWKQBYJAJIOG-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2occc2s1 ZINC000735992227 1020789953 /nfs/dbraw/zinc/78/99/53/1020789953.db2.gz XMAIYPFVLQMAOK-UHFFFAOYSA-N -1 3 306.274 3.794 20 5 DHBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc2occc2[n-]1 ZINC000786030534 1023652658 /nfs/dbraw/zinc/65/26/58/1023652658.db2.gz RSKCJVCECCVTPN-UHFFFAOYSA-N -1 3 320.688 3.680 20 5 DHBDHM Cc1c([N-]C(=O)c2cc(F)ccc2F)c(F)ccc1[N+](=O)[O-] ZINC000800145424 1024711661 /nfs/dbraw/zinc/71/16/61/1024711661.db2.gz BUVUWLVLEXPEOB-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc([O-])c1Cl ZINC000513554740 1026540075 /nfs/dbraw/zinc/54/00/75/1026540075.db2.gz SAPNJWLOOIWAHH-UHFFFAOYSA-N -1 3 320.776 3.628 20 5 DHBDHM CC(C)(C)c1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000601010844 1027936809 /nfs/dbraw/zinc/93/68/09/1027936809.db2.gz PUCZTVCWASGOAT-UHFFFAOYSA-N -1 3 323.349 3.740 20 5 DHBDHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000565341234 1028577167 /nfs/dbraw/zinc/57/71/67/1028577167.db2.gz UCYMPJUUSKJRFK-VIFPVBQESA-N -1 3 320.732 3.696 20 5 DHBDHM O=[N+]([O-])c1ccc(F)c([N-]c2snnc2-c2ccccc2)c1 ZINC001175736083 1035097289 /nfs/dbraw/zinc/09/72/89/1035097289.db2.gz PVYBDBMGODDEMT-UHFFFAOYSA-N -1 3 316.317 3.996 20 5 DHBDHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1Cl ZINC000070334107 1035615793 /nfs/dbraw/zinc/61/57/93/1035615793.db2.gz OGGCDNMDBSVHCZ-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1ccccc1-c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(C)n1 ZINC001199828530 1037350666 /nfs/dbraw/zinc/35/06/66/1037350666.db2.gz LRBWTWCANLTGIS-UHFFFAOYSA-N -1 3 324.340 3.753 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)c(F)cc(F)c2F)c1 ZINC001201223241 1037579373 /nfs/dbraw/zinc/57/93/73/1037579373.db2.gz ZVNIYJACDONTSW-UHFFFAOYSA-N -1 3 302.183 3.600 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)c(F)c2F)c1 ZINC001201222447 1037579746 /nfs/dbraw/zinc/57/97/46/1037579746.db2.gz LYXTXGWKDAGTNY-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC001201223213 1037580981 /nfs/dbraw/zinc/58/09/81/1037580981.db2.gz XNVHIALIZPZLEP-UHFFFAOYSA-N -1 3 320.173 3.740 20 5 DHBDHM Cc1cn(-c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2)cn1 ZINC001201222802 1037581048 /nfs/dbraw/zinc/58/10/48/1037581048.db2.gz RXORZLKESCDWKY-UHFFFAOYSA-N -1 3 310.313 3.538 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OCC3CC3)cc2)c1 ZINC001201224978 1037582182 /nfs/dbraw/zinc/58/21/82/1037582182.db2.gz XWACSTDJBPZZNC-UHFFFAOYSA-N -1 3 300.314 3.833 20 5 DHBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1SC ZINC001201222857 1037582353 /nfs/dbraw/zinc/58/23/53/1037582353.db2.gz UGPOJVFRJKSNQX-UHFFFAOYSA-N -1 3 306.343 3.775 20 5 DHBDHM CC[C@H](Cc1ccc(Cl)cc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596132117 1040312241 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Cc1cnc([N-]c2cnn(CC(C)C)c2C2CC2)c([N+](=O)[O-])c1 ZINC000340929044 334394342 /nfs/dbraw/zinc/39/43/42/334394342.db2.gz ANTZJAULTVAGBP-UHFFFAOYSA-N -1 3 315.377 3.772 20 5 DHBDHM O=C([N-]c1ncccc1-c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000355972661 336530440 /nfs/dbraw/zinc/53/04/40/336530440.db2.gz IAKAEIUQHYTNID-UHFFFAOYSA-N -1 3 309.281 3.502 20 5 DHBDHM Cc1sc(C(=O)Nc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000067145472 337543361 /nfs/dbraw/zinc/54/33/61/337543361.db2.gz JNLWAUIECALDLE-UHFFFAOYSA-N -1 3 312.734 3.576 20 5 DHBDHM Cc1c([N-]c2ncc(C)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000434955846 338228145 /nfs/dbraw/zinc/22/81/45/338228145.db2.gz PRWIHTNZPKXIAY-UHFFFAOYSA-N -1 3 309.329 3.536 20 5 DHBDHM COc1cc(-c2nc3c(cccc3Cl)[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000436739450 338284824 /nfs/dbraw/zinc/28/48/24/338284824.db2.gz NWVWQKFLIXDKEY-UHFFFAOYSA-N -1 3 319.704 3.506 20 5 DHBDHM CCOc1cc(/C=C\c2ccc([N+](=O)[O-])cn2)cc(Cl)c1[O-] ZINC000439510406 338372142 /nfs/dbraw/zinc/37/21/42/338372142.db2.gz 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ZINC000020448981 1020263614 /nfs/dbraw/zinc/26/36/14/1020263614.db2.gz DOSOOHKIXLZMSP-UHFFFAOYSA-N -1 3 315.310 3.564 20 5 DHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(C(C)C)n1 ZINC000282406728 1020324305 /nfs/dbraw/zinc/32/43/05/1020324305.db2.gz SKGOWUQAUHQGHN-UHFFFAOYSA-N -1 3 323.349 3.875 20 5 DHBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c([O-])c1 ZINC000154810109 1021648588 /nfs/dbraw/zinc/64/85/88/1021648588.db2.gz TYNUSUDORUJYKJ-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM O=c1[n-]ccc(NC(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000853349464 1022261647 /nfs/dbraw/zinc/26/16/47/1022261647.db2.gz YZOHNJRDFWEUIY-UHFFFAOYSA-N -1 3 305.378 3.856 20 5 DHBDHM Cc1cc2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)oc2c(C)c1 ZINC000085765684 1022938202 /nfs/dbraw/zinc/93/82/02/1022938202.db2.gz YEGOAOKZYBSFPU-UHFFFAOYSA-N -1 3 317.326 3.667 20 5 DHBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860739942 1033474237 /nfs/dbraw/zinc/47/42/37/1033474237.db2.gz YKWIKJFNZPQMTP-UHFFFAOYSA-N -1 3 321.720 3.674 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3cccs3)no2)c1 ZINC001199819467 1037333977 /nfs/dbraw/zinc/33/39/77/1037333977.db2.gz SJEUDYBEBGCHQD-UHFFFAOYSA-N -1 3 303.299 3.761 20 5 DHBDHM Cc1nc(C(F)(F)F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC001199814060 1037345205 /nfs/dbraw/zinc/34/52/05/1037345205.db2.gz CMUGVDCKMOKHNK-UHFFFAOYSA-N -1 3 319.264 3.828 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2csc(-c3ccncc3)n2)c1 ZINC001199828551 1037352431 /nfs/dbraw/zinc/35/24/31/1037352431.db2.gz MKAFTTMNZGVLSR-UHFFFAOYSA-N -1 3 314.326 3.563 20 5 DHBDHM CCN(CC)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199828577 1037352685 /nfs/dbraw/zinc/35/26/85/1037352685.db2.gz NGRMYZQIBPSFEO-UHFFFAOYSA-N -1 3 301.346 3.890 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c(F)c2Cl)c1 ZINC001201229795 1037573962 /nfs/dbraw/zinc/57/39/62/1037573962.db2.gz SRBOXNMQGIAGCS-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c3nsnc3ccc2Cl)c1 ZINC001201221518 1037580772 /nfs/dbraw/zinc/58/07/72/1037580772.db2.gz CVASBECZXNNJIH-UHFFFAOYSA-N -1 3 322.733 3.702 20 5 DHBDHM Cc1nc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2s1 ZINC001201222801 1037582021 /nfs/dbraw/zinc/58/20/21/1037582021.db2.gz RWTJKRGKMHRBNR-UHFFFAOYSA-N -1 3 301.327 3.962 20 5 DHBDHM CC(C)Oc1cccc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596076857 1040300869 /nfs/dbraw/zinc/30/08/69/1040300869.db2.gz QSVAQQYMKXFLJR-NSHDSACASA-N -1 3 317.345 3.656 20 5 DHBDHM CC[C@H](C)Oc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596085481 1040303273 /nfs/dbraw/zinc/30/32/73/1040303273.db2.gz HZUVUDZOMLSCMD-JTQLQIEISA-N -1 3 303.318 3.616 20 5 DHBDHM C[C@H](CC(C)(C)c1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596093326 1040306170 /nfs/dbraw/zinc/30/61/70/1040306170.db2.gz HVOMDSXGZTXULW-GFCCVEGCSA-N -1 3 315.373 3.864 20 5 DHBDHM O=C([N-]c1nc2c(s1)CCCCCC2)c1ccc([N+](=O)[O-])o1 ZINC000056236519 184007813 /nfs/dbraw/zinc/00/78/13/184007813.db2.gz BBPZVLNSMOOLLY-UHFFFAOYSA-N -1 3 321.358 3.556 20 5 DHBDHM Cc1cc([N-]c2ccn([C@@H](C)c3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000610735195 435356136 /nfs/dbraw/zinc/35/61/36/435356136.db2.gz IEFCLFCACHYBBG-ZDUSSCGKSA-N -1 3 323.356 3.848 20 5 DHBDHM CCCCn1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000301767790 336328487 /nfs/dbraw/zinc/32/84/87/336328487.db2.gz IABNJFODOLMHLM-UHFFFAOYSA-N -1 3 309.757 3.692 20 5 DHBDHM Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c([O-])c1C ZINC000436884016 338291746 /nfs/dbraw/zinc/29/17/46/338291746.db2.gz AMLXTEFPPAGPCW-UHFFFAOYSA-N -1 3 311.297 3.634 20 5 DHBDHM CCCn1ncc([N-]c2ncc(C)cc2[N+](=O)[O-])c1C1CC1 ZINC000450636950 338695289 /nfs/dbraw/zinc/69/52/89/338695289.db2.gz FUIFBGHYAOWGCS-UHFFFAOYSA-N -1 3 301.350 3.526 20 5 DHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000175869546 340422122 /nfs/dbraw/zinc/42/21/22/340422122.db2.gz XELGVNBKZAZSLL-UHFFFAOYSA-N -1 3 323.308 3.811 20 5 DHBDHM Cc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c([O-])c1 ZINC000093902066 341486034 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DHBDHM Cc1cccc([C@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000559150377 1031139500 /nfs/dbraw/zinc/13/95/00/1031139500.db2.gz VDILGIBLAQXZLT-HNNXBMFYSA-N -1 3 312.369 3.598 20 5 DHBDHM CC(C)(C)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000872687934 1031642732 /nfs/dbraw/zinc/64/27/32/1031642732.db2.gz BQPVUZFEZLLUAD-UHFFFAOYSA-N -1 3 307.375 3.667 20 5 DHBDHM O=C([O-])c1cc(Nc2ccnc(C3CCC3)c2)cc([N+](=O)[O-])c1 ZINC001176678721 1035312761 /nfs/dbraw/zinc/31/27/61/1035312761.db2.gz ZHEOJRKDUSMXEV-UHFFFAOYSA-N -1 3 313.313 3.699 20 5 DHBDHM O=c1[n-]c(Oc2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc12 ZINC000750531945 1036674787 /nfs/dbraw/zinc/67/47/87/1036674787.db2.gz WXDVPCDLPDOIJC-UHFFFAOYSA-N -1 3 317.688 3.689 20 5 DHBDHM CCOC(=O)c1c(C)csc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801794 1037339487 /nfs/dbraw/zinc/33/94/87/1037339487.db2.gz JRMYUKOUGILLBX-UHFFFAOYSA-N -1 3 322.342 3.591 20 5 DHBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)n1 ZINC001199801451 1037340243 /nfs/dbraw/zinc/34/02/43/1037340243.db2.gz DXMNESAZOADVCL-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cnc1OC(C)C ZINC001199828850 1037343645 /nfs/dbraw/zinc/34/36/45/1037343645.db2.gz VXXRGGDVLJRPNJ-UHFFFAOYSA-N -1 3 303.318 3.535 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3cccnc3)ccn2)c1 ZINC001199802449 1037345180 /nfs/dbraw/zinc/34/51/80/1037345180.db2.gz PMUMVUKPNHBJPP-UHFFFAOYSA-N -1 3 308.297 3.501 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Br)cc2)c1 ZINC001199828539 1037351369 /nfs/dbraw/zinc/35/13/69/1037351369.db2.gz MGBIOQJUPQZEAZ-UHFFFAOYSA-N -1 3 309.119 3.807 20 5 DHBDHM CCOC(=O)c1ccc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222585 1037579073 /nfs/dbraw/zinc/57/90/73/1037579073.db2.gz PGSXECFRIVNCJM-UHFFFAOYSA-N -1 3 316.313 3.529 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(Br)c2)c1 ZINC001201223188 1037582326 /nfs/dbraw/zinc/58/23/26/1037582326.db2.gz WNVKGHRUHLAFSK-UHFFFAOYSA-N -1 3 309.119 3.807 20 5 DHBDHM CCc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000572025226 1038319802 /nfs/dbraw/zinc/31/98/02/1038319802.db2.gz VWLWJTCCSSRZII-UHFFFAOYSA-N -1 3 320.732 3.769 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc2cc(Cl)ccc2c(=O)[n-]1 ZINC000603918600 1039232041 /nfs/dbraw/zinc/23/20/41/1039232041.db2.gz CXXULGIUFJCKMP-UHFFFAOYSA-N -1 3 315.716 3.872 20 5 DHBDHM Cc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1OC(C)C ZINC000596146790 1040315693 /nfs/dbraw/zinc/31/56/93/1040315693.db2.gz PXZVZQWDKCBYBR-UHFFFAOYSA-N -1 3 303.318 3.535 20 5 DHBDHM O=c1[n-]ccc(S[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000596164519 1040334406 /nfs/dbraw/zinc/33/44/06/1040334406.db2.gz ZGGPCXHNNULINO-LBPRGKRZSA-N -1 3 302.355 3.865 20 5 DHBDHM CC(C)c1ccc2c(c1)[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596210860 1040338787 /nfs/dbraw/zinc/33/87/87/1040338787.db2.gz XLJFUGPZBVIUCH-CQSZACIVSA-N -1 3 313.357 3.918 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596226083 1040340914 /nfs/dbraw/zinc/34/09/14/1040340914.db2.gz UVOFGOMMFKVJQA-WCQYABFASA-N -1 3 317.320 3.583 20 5 DHBDHM O=C([N-]c1nc(C2CCC2)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC000601541503 1040678682 /nfs/dbraw/zinc/67/86/82/1040678682.db2.gz XFSSUQGLYUIGGT-UHFFFAOYSA-N -1 3 321.333 3.710 20 5 DHBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ncsc2C(C)C)c1F ZINC000289254812 131369665 /nfs/dbraw/zinc/36/96/65/131369665.db2.gz XPPXGSXHYSLXGX-UHFFFAOYSA-N -1 3 323.349 3.875 20 5 DHBDHM Cc1cc([N-]c2ncc([N+](=O)[O-])cc2C)nn1[C@H](C)C1CC1 ZINC000542258685 430205628 /nfs/dbraw/zinc/20/56/28/430205628.db2.gz CTUSXSJEORPXFU-LLVKDONJSA-N -1 3 301.350 3.518 20 5 DHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(F)cccc1F ZINC000341612732 334461684 /nfs/dbraw/zinc/46/16/84/334461684.db2.gz MPUKXBXRQCPAQE-UHFFFAOYSA-N -1 3 322.267 3.524 20 5 DHBDHM Cc1csc(-c2ccc([N-]c3ncc([N+](=O)[O-])cn3)cc2)n1 ZINC000302169065 336352077 /nfs/dbraw/zinc/35/20/77/336352077.db2.gz SZIBRRLFSOYFEH-UHFFFAOYSA-N -1 3 313.342 3.560 20 5 DHBDHM O=[N+]([O-])c1ccc(CN(Cc2cc([O-])cc(F)c2)C2CC2)cc1 ZINC000186182891 337254386 /nfs/dbraw/zinc/25/43/86/337254386.db2.gz WWLZQQOUWQRVNT-UHFFFAOYSA-N -1 3 316.332 3.604 20 5 DHBDHM O=[N+]([O-])c1cccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436771345 338286724 /nfs/dbraw/zinc/28/67/24/338286724.db2.gz ZUKPTLXQMZMLDB-RUDMXATFSA-N -1 3 309.281 3.521 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072505420 341087535 /nfs/dbraw/zinc/08/75/35/341087535.db2.gz SHHLLIRQZBZFOL-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845231 341304921 /nfs/dbraw/zinc/30/49/21/341304921.db2.gz HXOYPVJSOJSFLK-HIFRSBDPSA-N -1 3 312.369 3.678 20 5 DHBDHM O=c1ccnc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]1 ZINC000742221255 1022807811 /nfs/dbraw/zinc/80/78/11/1022807811.db2.gz GWEPVSWYAJQDKX-SOFGYWHQSA-N -1 3 309.281 3.521 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786030531 1023653284 /nfs/dbraw/zinc/65/32/84/1023653284.db2.gz ROKFKJUVKPYJKO-SNVBAGLBSA-N -1 3 314.297 3.896 20 5 DHBDHM CC1(C)Cc2cc(Sc3cc[n-]c(=O)c3[N+](=O)[O-])ccc2O1 ZINC000601250362 1028042890 /nfs/dbraw/zinc/04/28/90/1028042890.db2.gz MDHLVKHQJJCKOZ-UHFFFAOYSA-N -1 3 318.354 3.560 20 5 DHBDHM CCc1cc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)cc1OC ZINC000866032314 1030114024 /nfs/dbraw/zinc/11/40/24/1030114024.db2.gz DZSVJDADDZMURJ-UHFFFAOYSA-N -1 3 320.370 3.726 20 5 DHBDHM Cc1ccc([C@@H](C)NCc2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000293486547 1031488735 /nfs/dbraw/zinc/48/87/35/1031488735.db2.gz AGVYQERFOVHLBD-SNVBAGLBSA-N -1 3 322.311 3.738 20 5 DHBDHM Cc1ccc(CN[C@H](C)c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000872092567 1031489826 /nfs/dbraw/zinc/48/98/26/1031489826.db2.gz PFVBEPLZEMNROK-LLVKDONJSA-N -1 3 304.321 3.599 20 5 DHBDHM Cc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001199800862 1037340512 /nfs/dbraw/zinc/34/05/12/1037340512.db2.gz JKAKARIWIAUQBS-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Cl)cc2Cl)c1 ZINC001199801194 1037340808 /nfs/dbraw/zinc/34/08/08/1037340808.db2.gz BJQDYUVLXFKNNN-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OCC3CCC3)nc2)c1 ZINC001199815186 1037344530 /nfs/dbraw/zinc/34/45/30/1037344530.db2.gz VXGXORAVIGIFBV-UHFFFAOYSA-N -1 3 315.329 3.618 20 5 DHBDHM Cc1ccc(-c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)n(C)n2)cc1 ZINC001199828251 1037351714 /nfs/dbraw/zinc/35/17/14/1037351714.db2.gz DVTCBOSDOKYAMW-UHFFFAOYSA-N -1 3 324.340 3.753 20 5 DHBDHM Cc1cnn(-c2ccccc2C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828569 1037352510 /nfs/dbraw/zinc/35/25/10/1037352510.db2.gz MXFHHMJEBKWLLS-UHFFFAOYSA-N -1 3 324.340 3.847 20 5 DHBDHM CC(C)n1ncc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201229733 1037573284 /nfs/dbraw/zinc/57/32/84/1037573284.db2.gz PZRFYQNLLSKVMD-UHFFFAOYSA-N -1 3 312.329 3.975 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc2scnc21 ZINC001201229779 1037574245 /nfs/dbraw/zinc/57/42/45/1037574245.db2.gz SFXQGOPPDDGHQZ-UHFFFAOYSA-N -1 3 301.327 3.962 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(OC(F)(F)F)c2)c1 ZINC001201222828 1037579998 /nfs/dbraw/zinc/57/99/98/1037579998.db2.gz SQHOYAOVYXXFAM-UHFFFAOYSA-N -1 3 314.219 3.943 20 5 DHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)c1 ZINC000057796856 1038741606 /nfs/dbraw/zinc/74/16/06/1038741606.db2.gz RVLQFMFSODPPHN-UHFFFAOYSA-N -1 3 324.308 3.847 20 5 DHBDHM Cc1cc([C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000596176817 1040336171 /nfs/dbraw/zinc/33/61/71/1040336171.db2.gz GEJBOKBJCDWDMG-AWEZNQCLSA-N -1 3 317.320 3.706 20 5 DHBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([O-])c1 ZINC000004110405 181074871 /nfs/dbraw/zinc/07/48/71/181074871.db2.gz NNDXCKIXOIDTHW-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM COc1cc(/C=C\c2ccc([N+](=O)[O-])cn2)cc(Cl)c1[O-] ZINC000531232975 333336669 /nfs/dbraw/zinc/33/66/69/333336669.db2.gz ZGTUISKZTVGKPH-IHWYPQMZSA-N -1 3 306.705 3.528 20 5 DHBDHM COc1cc(F)c([N+](=O)[O-])c([N-]c2ccn(CCC(C)C)n2)c1 ZINC000302035957 336344525 /nfs/dbraw/zinc/34/45/25/336344525.db2.gz PIPNKOXHYIYMSK-UHFFFAOYSA-N -1 3 322.340 3.729 20 5 DHBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC)c1 ZINC000067296731 337543486 /nfs/dbraw/zinc/54/34/86/337543486.db2.gz VYGDANKROHCTCR-UHFFFAOYSA-N -1 3 318.354 3.578 20 5 DHBDHM O=[N+]([O-])c1ccc(/C=C\c2cc([O-])ccc2Br)nc1 ZINC000431397323 338129806 /nfs/dbraw/zinc/12/98/06/338129806.db2.gz SNXCQHJGTFFDFR-UPHRSURJSA-N -1 3 321.130 3.628 20 5 DHBDHM CC(C)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000439756801 338377185 /nfs/dbraw/zinc/37/71/85/338377185.db2.gz NHMFUVIJTFUJGX-UHFFFAOYSA-N -1 3 318.304 3.815 20 5 DHBDHM CCc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1[O-] ZINC000544904531 341098793 /nfs/dbraw/zinc/09/87/93/341098793.db2.gz WMMZPPDKMICTAS-UHFFFAOYSA-N -1 3 311.297 3.580 20 5 DHBDHM Cc1sc(C(=O)[N-]c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000104479432 526875406 /nfs/dbraw/zinc/87/54/06/526875406.db2.gz UOXURMLOUQNXCJ-UHFFFAOYSA-N -1 3 316.260 3.634 20 5 DHBDHM CCCc1nc(C)c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)o1 ZINC000297604860 535494518 /nfs/dbraw/zinc/49/45/18/535494518.db2.gz AUQJAHJAMJFHQS-UHFFFAOYSA-N -1 3 321.308 3.544 20 5 DHBDHM COC(=O)c1ccsc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248594926 1032708062 /nfs/dbraw/zinc/70/80/62/1032708062.db2.gz ZKDFICLXORUMMW-UHFFFAOYSA-N -1 3 312.734 3.840 20 5 DHBDHM CSc1cccc(C(=O)Nc2cccc(C)c2[O-])c1[N+](=O)[O-] ZINC000188185732 1020168933 /nfs/dbraw/zinc/16/89/33/1020168933.db2.gz YKWYZWNHIDSIBY-UHFFFAOYSA-N -1 3 318.354 3.583 20 5 DHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2ccccc2o1 ZINC000073481216 1020193427 /nfs/dbraw/zinc/19/34/27/1020193427.db2.gz LEJZFQGXAXPENU-UHFFFAOYSA-N -1 3 318.235 3.872 20 5 DHBDHM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000180341588 1022699374 /nfs/dbraw/zinc/69/93/74/1022699374.db2.gz YBGLYMHEJCZETC-UHFFFAOYSA-N -1 3 312.659 3.779 20 5 DHBDHM O=c1ccnc(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[n-]1 ZINC000742220878 1022809301 /nfs/dbraw/zinc/80/93/01/1022809301.db2.gz BZFBMPNTNHSTQC-VURMDHGXSA-N -1 3 309.281 3.521 20 5 DHBDHM CCc1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000069481138 1023081726 /nfs/dbraw/zinc/08/17/26/1023081726.db2.gz OMHJFLKRPODFJT-UHFFFAOYSA-N -1 3 317.326 3.612 20 5 DHBDHM CCc1cc(=O)[n-]c(CS[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000357346128 1030011526 /nfs/dbraw/zinc/01/15/26/1030011526.db2.gz JQDFCDPGTIXNAQ-SNVBAGLBSA-N -1 3 319.386 3.647 20 5 DHBDHM CC(C)(C)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)no1 ZINC000292427186 1030993284 /nfs/dbraw/zinc/99/32/84/1030993284.db2.gz UIPXWPMWWXZEOF-UHFFFAOYSA-N -1 3 323.736 3.786 20 5 DHBDHM COc1cccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)cnc21 ZINC001199818546 1037334437 /nfs/dbraw/zinc/33/44/37/1037334437.db2.gz DBJIHKCAKXEZQI-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ncc1Br ZINC001199802278 1037344150 /nfs/dbraw/zinc/34/41/50/1037344150.db2.gz NROUZQHSNRMOOC-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2Br)c1 ZINC001199828428 1037351772 /nfs/dbraw/zinc/35/17/72/1037351772.db2.gz HLMPYHMZABKOHG-UHFFFAOYSA-N -1 3 309.119 3.807 20 5 DHBDHM Nc1cccc2c3ccccc3n(-c3cc([O-])cc([N+](=O)[O-])c3)c21 ZINC001201231943 1037573071 /nfs/dbraw/zinc/57/30/71/1037573071.db2.gz NJUMGRDJUHHABQ-UHFFFAOYSA-N -1 3 319.320 3.980 20 5 DHBDHM CO[C@@H]1CCOc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc21 ZINC001201229113 1037573612 /nfs/dbraw/zinc/57/36/12/1037573612.db2.gz CRFFJVFERJIZKG-OAHLLOKOSA-N -1 3 316.313 3.514 20 5 DHBDHM CCC(CC)CCCN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000595279447 1040095818 /nfs/dbraw/zinc/09/58/18/1040095818.db2.gz NYNJMFIPPXILMN-UHFFFAOYSA-N -1 3 322.405 3.941 20 5 DHBDHM CC[C@@H](C)Oc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596085482 1040302402 /nfs/dbraw/zinc/30/24/02/1040302402.db2.gz HZUVUDZOMLSCMD-SNVBAGLBSA-N -1 3 303.318 3.616 20 5 DHBDHM O=c1[n-]ccc(NCCCCCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000596200234 1040332100 /nfs/dbraw/zinc/33/21/00/1040332100.db2.gz IWRORFHTCQWCNU-UHFFFAOYSA-N -1 3 319.336 3.659 20 5 DHBDHM O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000314010013 333082281 /nfs/dbraw/zinc/08/22/81/333082281.db2.gz GBFRUKGBPKIXFB-UHFFFAOYSA-N -1 3 317.688 3.671 20 5 DHBDHM CC(C)Cn1cc([N-]c2ccc([N+](=O)[O-])cn2)c(C(F)F)n1 ZINC000341396117 334438881 /nfs/dbraw/zinc/43/88/81/334438881.db2.gz OTQRWFCSHFCZDD-UHFFFAOYSA-N -1 3 311.292 3.524 20 5 DHBDHM CC[C@@H](C)n1ncc([N-]c2ncccc2[N+](=O)[O-])c1C1CC1 ZINC000342800269 334572977 /nfs/dbraw/zinc/57/29/77/334572977.db2.gz QLAPFAXBDWHVQW-SNVBAGLBSA-N -1 3 301.350 3.778 20 5 DHBDHM Cc1c([N-]c2nccc(C)c2[N+](=O)[O-])cnn1CCC(C)C ZINC000301762709 336328270 /nfs/dbraw/zinc/32/82/70/336328270.db2.gz CBFXOOOJRBZQKE-UHFFFAOYSA-N -1 3 303.366 3.593 20 5 DHBDHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000357346127 336581813 /nfs/dbraw/zinc/58/18/13/336581813.db2.gz JQDFCDPGTIXNAQ-JTQLQIEISA-N -1 3 319.386 3.647 20 5 DHBDHM O=C([N-]c1ncc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])o1 ZINC000360028533 336698337 /nfs/dbraw/zinc/69/83/37/336698337.db2.gz VEDPRUDSUXIRFB-UHFFFAOYSA-N -1 3 321.358 3.944 20 5 DHBDHM O=C([N-]c1cc(-c2ccccc2)on1)c1csc([N+](=O)[O-])c1 ZINC000173068542 337131896 /nfs/dbraw/zinc/13/18/96/337131896.db2.gz GICPGXXMMJBROA-UHFFFAOYSA-N -1 3 315.310 3.564 20 5 DHBDHM CC(C)(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000506231341 340189445 /nfs/dbraw/zinc/18/94/45/340189445.db2.gz NVRWUWYAYUVUCL-UHFFFAOYSA-N -1 3 314.341 3.850 20 5 DHBDHM C[C@@H](CN(C)Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000549405333 341293401 /nfs/dbraw/zinc/29/34/01/341293401.db2.gz LDDUCIYESDLLRT-ZDUSSCGKSA-N -1 3 300.358 3.536 20 5 DHBDHM CC[C@H](C)n1ncc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000477700984 1015610841 /nfs/dbraw/zinc/61/08/41/1015610841.db2.gz IWRNPFXDQIAKOW-NSHDSACASA-N -1 3 303.366 3.826 20 5 DHBDHM O=C([N-]c1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC000014424552 1016381697 /nfs/dbraw/zinc/38/16/97/1016381697.db2.gz ZYIRKCSSMWVBSB-UHFFFAOYSA-N -1 3 300.698 3.701 20 5 DHBDHM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000116978777 1019934735 /nfs/dbraw/zinc/93/47/35/1019934735.db2.gz GJULXGCXYBHLSH-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM CCc1c([N-]c2ncccc2[N+](=O)[O-])cnn1C(CC)CC ZINC000477707349 1032888720 /nfs/dbraw/zinc/88/87/20/1032888720.db2.gz YWSLJXYYQQBDGC-UHFFFAOYSA-N -1 3 303.366 3.853 20 5 DHBDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000153658948 1020499252 /nfs/dbraw/zinc/49/92/52/1020499252.db2.gz OOQWPKQQBHIJMG-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM CSc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000024442787 1021958343 /nfs/dbraw/zinc/95/83/43/1021958343.db2.gz OXMVQOYLNGGJIF-UHFFFAOYSA-N -1 3 308.384 3.939 20 5 DHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000053368947 1022864694 /nfs/dbraw/zinc/86/46/94/1022864694.db2.gz PQOMSHITMRAOTB-UHFFFAOYSA-N -1 3 318.354 3.583 20 5 DHBDHM O=C([N-]c1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])o1 ZINC000092505287 1022900046 /nfs/dbraw/zinc/90/00/46/1022900046.db2.gz RSHCSTPXZIBNQV-UHFFFAOYSA-N -1 3 315.310 3.564 20 5 DHBDHM CC(C)c1ccoc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000790169385 1024235361 /nfs/dbraw/zinc/23/53/61/1024235361.db2.gz JAEIVLXYOHXRPG-UHFFFAOYSA-N -1 3 310.256 3.842 20 5 DHBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1scnc1C1CC1 ZINC000800146872 1024712538 /nfs/dbraw/zinc/71/25/38/1024712538.db2.gz JDLCUNIOACIUEZ-UHFFFAOYSA-N -1 3 321.333 3.629 20 5 DHBDHM C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([O-])c1F ZINC000872026396 1031409564 /nfs/dbraw/zinc/40/95/64/1031409564.db2.gz AFBIEDWZXJOGIM-WDEREUQCSA-N -1 3 304.321 3.851 20 5 DHBDHM Cc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000872092568 1031491169 /nfs/dbraw/zinc/49/11/69/1031491169.db2.gz PFVBEPLZEMNROK-NSHDSACASA-N -1 3 304.321 3.599 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3c(ccc(F)c3F)c2)c1 ZINC001199819018 1037334092 /nfs/dbraw/zinc/33/40/92/1037334092.db2.gz JHBDWXPGQGVWBS-UHFFFAOYSA-N -1 3 317.251 3.870 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc3cc(Cl)ccc3o2)c1 ZINC001199801965 1037340656 /nfs/dbraw/zinc/34/06/56/1037340656.db2.gz YQXHUHSVNGYOAC-UHFFFAOYSA-N -1 3 305.677 3.839 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)cnc2Cl)c1 ZINC001199801333 1037340740 /nfs/dbraw/zinc/34/07/40/1037340740.db2.gz CUMJESSTALJUAZ-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)c(F)nc(F)c2Cl)c1 ZINC001199801737 1037342347 /nfs/dbraw/zinc/34/23/47/1037342347.db2.gz IPFQPKLGMSOOJW-UHFFFAOYSA-N -1 3 319.626 3.510 20 5 DHBDHM Cc1cccc(-n2nccc2Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828866 1037343441 /nfs/dbraw/zinc/34/34/41/1037343441.db2.gz WPOOGRQJSZUNIF-UHFFFAOYSA-N -1 3 310.313 3.538 20 5 DHBDHM CCCOC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201224656 1037582152 /nfs/dbraw/zinc/58/21/52/1037582152.db2.gz PBRDTGAQDPUFAJ-UHFFFAOYSA-N -1 3 316.313 3.611 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc2ccsc2[n-]1 ZINC000917048835 1038138232 /nfs/dbraw/zinc/13/82/32/1038138232.db2.gz HKRSLEVNAGVJAS-UHFFFAOYSA-N -1 3 302.311 3.665 20 5 DHBDHM CC(C)c1ccc(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596133631 1040313154 /nfs/dbraw/zinc/31/31/54/1040313154.db2.gz XYDRJHUPJSXLFY-UHFFFAOYSA-N -1 3 315.373 3.864 20 5 DHBDHM CC(C)c1ccc(C[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596179591 1040323431 /nfs/dbraw/zinc/32/34/31/1040323431.db2.gz MXMGZYBLBIDRCC-GFCCVEGCSA-N -1 3 315.373 3.862 20 5 DHBDHM Cc1cc([N-]c2ccn([C@H](C)c3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000610735194 435355613 /nfs/dbraw/zinc/35/56/13/435355613.db2.gz IEFCLFCACHYBBG-CYBMUJFWSA-N -1 3 323.356 3.848 20 5 DHBDHM CCCc1cc(=O)[n-]c(C(=Cc2cccc([N+](=O)[O-])c2)CC)n1 ZINC000193619607 333304781 /nfs/dbraw/zinc/30/47/81/333304781.db2.gz LUMNPZLTZJFZSD-UKTHLTGXSA-N -1 3 313.357 3.581 20 5 DHBDHM O=C([N-]c1cccc(F)c1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110254210 333574624 /nfs/dbraw/zinc/57/46/24/333574624.db2.gz VDSUUWRXYAJMNP-UHFFFAOYSA-N -1 3 312.659 3.779 20 5 DHBDHM CC(C)c1ccc(C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000189085779 334882200 /nfs/dbraw/zinc/88/22/00/334882200.db2.gz YEAJQRVBKFEEPR-UHFFFAOYSA-N -1 3 300.314 3.676 20 5 DHBDHM Cc1ccc(-n2cc([N-]c3ncccc3[N+](=O)[O-])cn2)c(C)c1 ZINC000302736568 336367168 /nfs/dbraw/zinc/36/71/68/336367168.db2.gz ZROILSCOBAGDNS-UHFFFAOYSA-N -1 3 309.329 3.536 20 5 DHBDHM Cc1c([N-]c2ncc(C)cc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000302898746 336373641 /nfs/dbraw/zinc/37/36/41/336373641.db2.gz RXSJQUVTIAINDI-UHFFFAOYSA-N -1 3 301.350 3.662 20 5 DHBDHM CCCCn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C(C)C ZINC000477706789 339499514 /nfs/dbraw/zinc/49/95/14/339499514.db2.gz ZRBZELQNGFHAEB-UHFFFAOYSA-N -1 3 303.366 3.853 20 5 DHBDHM CC(C)(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000480080981 339558151 /nfs/dbraw/zinc/55/81/51/339558151.db2.gz MJGDEBGLUIPLQD-UHFFFAOYSA-N -1 3 314.341 3.850 20 5 DHBDHM O=[N+]([O-])c1cccc(Nc2ccc([O-])c(Br)c2)c1 ZINC001204456354 1013359970 /nfs/dbraw/zinc/35/99/70/1013359970.db2.gz LHBLVUWVBPQMOS-UHFFFAOYSA-N -1 3 309.119 3.807 20 5 DHBDHM O=C([N-]c1cc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])o1 ZINC000074952446 1014734897 /nfs/dbraw/zinc/73/48/97/1014734897.db2.gz QYUPOBVIRGKRDT-UHFFFAOYSA-N -1 3 315.310 3.564 20 5 DHBDHM CC(C)(C)OCc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000896445352 1015592906 /nfs/dbraw/zinc/59/29/06/1015592906.db2.gz OCUWRANZKNDSDY-UHFFFAOYSA-N -1 3 317.345 3.754 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Cl)cc2c(=O)[n-]1 ZINC000077256923 1019270906 /nfs/dbraw/zinc/27/09/06/1019270906.db2.gz IOWFWFUMJXEMKW-UHFFFAOYSA-N -1 3 315.716 3.872 20 5 DHBDHM CC[C@H](C)n1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000477707009 1032887423 /nfs/dbraw/zinc/88/74/23/1032887423.db2.gz XFDCYEZZZLZBKD-QMMMGPOBSA-N -1 3 309.757 3.863 20 5 DHBDHM CCc1cccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c1[O-] ZINC000580990768 1020869814 /nfs/dbraw/zinc/86/98/14/1020869814.db2.gz PPVSHQPPNWZCPC-UHFFFAOYSA-N -1 3 317.326 3.641 20 5 DHBDHM CCc1ccc([O-])c(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1 ZINC000179815437 1022548219 /nfs/dbraw/zinc/54/82/19/1022548219.db2.gz FOZXIOVOLCEAAJ-UHFFFAOYSA-N -1 3 318.304 3.563 20 5 DHBDHM CC(C)c1scnc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000809394965 1026526670 /nfs/dbraw/zinc/52/66/70/1026526670.db2.gz DTVCFHYKYKNZCR-UHFFFAOYSA-N -1 3 309.322 3.566 20 5 DHBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295638424 1027366522 /nfs/dbraw/zinc/36/65/22/1027366522.db2.gz YBYPTFDBCGBUHU-UHFFFAOYSA-N -1 3 323.736 3.668 20 5 DHBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(Cl)c(Cl)[n-]1 ZINC000011808722 1028884244 /nfs/dbraw/zinc/88/42/44/1028884244.db2.gz NUAPYDXKVRLOND-UHFFFAOYSA-N -1 3 315.112 3.587 20 5 DHBDHM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc([O-])c1F ZINC000872054602 1031443302 /nfs/dbraw/zinc/44/33/02/1031443302.db2.gz ZPRUVLPTELBFRC-QWRGUYRKSA-N -1 3 304.321 3.851 20 5 DHBDHM O=[N+]([O-])c1cnc(NCc2ccc([O-])c(F)c2)c2ccccc21 ZINC001185479223 1037154749 /nfs/dbraw/zinc/15/47/49/1037154749.db2.gz QZSCYBZBOHXNLK-UHFFFAOYSA-N -1 3 313.288 3.600 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccncn3)cs2)c1 ZINC001199819283 1037335196 /nfs/dbraw/zinc/33/51/96/1037335196.db2.gz NUQXKAIQSMLPAB-UHFFFAOYSA-N -1 3 314.326 3.563 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(Cl)c2Cl)c1 ZINC001199801624 1037341917 /nfs/dbraw/zinc/34/19/17/1037341917.db2.gz FNMZYXCLNYLQIG-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cnc1Br ZINC001199815275 1037344005 /nfs/dbraw/zinc/34/40/05/1037344005.db2.gz YCOXNYUEXVFHQQ-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1cccc2sc(Nc3cc([O-])cc([N+](=O)[O-])c3)nc21 ZINC001199802434 1037345240 /nfs/dbraw/zinc/34/52/40/1037345240.db2.gz OZLPFTUTMZSNHY-UHFFFAOYSA-N -1 3 301.327 3.962 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccccc3)cnn2)c1 ZINC001199828422 1037351806 /nfs/dbraw/zinc/35/18/06/1037351806.db2.gz HFIZUEZRAUZCBM-UHFFFAOYSA-N -1 3 308.297 3.501 20 5 DHBDHM Nc1ccccc1N(c1cc([O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC001201232857 1037572843 /nfs/dbraw/zinc/57/28/43/1037572843.db2.gz UWQINHPBDHSVCP-UHFFFAOYSA-N -1 3 313.357 3.963 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cccc2N2CCCC2)c1 ZINC001201229169 1037573389 /nfs/dbraw/zinc/57/33/89/1037573389.db2.gz GAMWUAMCSNUPGU-UHFFFAOYSA-N -1 3 317.320 3.783 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596203073 1040330731 /nfs/dbraw/zinc/33/07/31/1040330731.db2.gz KUDWMCHASUIDQB-KGLIPLIRSA-N -1 3 313.357 3.519 20 5 DHBDHM O=c1[n-]ccc(Sc2ccc3c(c2)CCCC3)c1[N+](=O)[O-] ZINC000596279269 1040353370 /nfs/dbraw/zinc/35/33/70/1040353370.db2.gz RTABLSDZBZVUCJ-UHFFFAOYSA-N -1 3 302.355 3.725 20 5 DHBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1ccn([C@@H](C)c2ccccc2)n1 ZINC000611298044 435356895 /nfs/dbraw/zinc/35/68/95/435356895.db2.gz IGZAXRQSZHRBML-ZDUSSCGKSA-N -1 3 323.356 3.848 20 5 DHBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ccsc1Cl ZINC000187848276 334276049 /nfs/dbraw/zinc/27/60/49/334276049.db2.gz SJDRMKHSBALNDZ-UHFFFAOYSA-N -1 3 312.734 3.571 20 5 DHBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000301082453 336289047 /nfs/dbraw/zinc/28/90/47/336289047.db2.gz OMGKNLZYCRZIBV-UHFFFAOYSA-N -1 3 316.317 3.670 20 5 DHBDHM CCc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c([O-])c1 ZINC000436841487 338289573 /nfs/dbraw/zinc/28/95/73/338289573.db2.gz SGPQAOBOURIMSY-UHFFFAOYSA-N -1 3 311.297 3.580 20 5 DHBDHM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC000833643749 605174202 /nfs/dbraw/zinc/17/42/02/605174202.db2.gz GAZWTSYCAWYQMW-CYBMUJFWSA-N -1 3 320.370 3.595 20 5 DHBDHM CCC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593738972 974984969 /nfs/dbraw/zinc/98/49/69/974984969.db2.gz RJRATKQADZQOQY-KRWDZBQOSA-N -1 3 320.389 3.695 20 5 DHBDHM CC(C)(C)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000067477466 1015048912 /nfs/dbraw/zinc/04/89/12/1015048912.db2.gz FTMKJRCOLAOHRX-UHFFFAOYSA-N -1 3 323.349 3.740 20 5 DHBDHM O=[N+]([O-])c1ccc(Nc2c(F)cc([O-])cc2F)c(Cl)c1 ZINC001248610661 1032712062 /nfs/dbraw/zinc/71/20/62/1032712062.db2.gz HDDKFHAWGYTIHR-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM O=C(CCC1CCCCC1)[N-]OCc1ccc([N+](=O)[O-])cc1 ZINC000733998036 1020545892 /nfs/dbraw/zinc/54/58/92/1020545892.db2.gz LGPJREPBVYBRPT-UHFFFAOYSA-N -1 3 306.362 3.503 20 5 DHBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000786031908 1023654332 /nfs/dbraw/zinc/65/43/32/1023654332.db2.gz UILMRHBZGHJBFU-SECBINFHSA-N -1 3 300.270 3.587 20 5 DHBDHM CC(=O)c1ccc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)s1 ZINC000800143997 1024711147 /nfs/dbraw/zinc/71/11/47/1024711147.db2.gz JYSBRWIAWUDVKB-UHFFFAOYSA-N -1 3 322.317 3.559 20 5 DHBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000928785933 1031381520 /nfs/dbraw/zinc/38/15/20/1031381520.db2.gz KQTBWSAYLNIOOM-UHFFFAOYSA-N -1 3 323.736 3.920 20 5 DHBDHM CN(Cc1ccc([O-])c(F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001179945258 1035540183 /nfs/dbraw/zinc/54/01/83/1035540183.db2.gz HBQCAJRYVWSSHE-UHFFFAOYSA-N -1 3 324.739 3.725 20 5 DHBDHM O=c1[n-]ccc(Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001184608924 1036905176 /nfs/dbraw/zinc/90/51/76/1036905176.db2.gz ZPUOXNFEXBNHEG-UHFFFAOYSA-N -1 3 301.085 3.795 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2-c2ccccn2)c1 ZINC001199828307 1037351403 /nfs/dbraw/zinc/35/14/03/1037351403.db2.gz GANOTGLEBYBKFB-UHFFFAOYSA-N -1 3 308.297 3.501 20 5 DHBDHM Nc1cc(Cl)cc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224704 1037581410 /nfs/dbraw/zinc/58/14/10/1037581410.db2.gz QLAHTKDNOAANNB-UHFFFAOYSA-N -1 3 314.128 3.933 20 5 DHBDHM O=c1[n-]ccc(NCC2(Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000596163395 1040333854 /nfs/dbraw/zinc/33/38/54/1040333854.db2.gz TURCDVSGYJQCNV-UHFFFAOYSA-N -1 3 313.357 3.520 20 5 DHBDHM Cc1cc([C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000596176819 1040335736 /nfs/dbraw/zinc/33/57/36/1040335736.db2.gz GEJBOKBJCDWDMG-CQSZACIVSA-N -1 3 317.320 3.706 20 5 DHBDHM CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054861896 183953308 /nfs/dbraw/zinc/95/33/08/183953308.db2.gz OPPBBGRRVPSQIT-UHFFFAOYSA-N -1 3 306.318 3.708 20 5 DHBDHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561391492 332445472 /nfs/dbraw/zinc/44/54/72/332445472.db2.gz FFXWRWXEKQYRFI-JTQLQIEISA-N -1 3 311.297 3.502 20 5 DHBDHM O=[N+]([O-])c1cnc([N-]c2ccc3nc(C(F)F)sc3c2)nc1 ZINC000343909169 335201531 /nfs/dbraw/zinc/20/15/31/335201531.db2.gz BINCNGOAOKMSAU-UHFFFAOYSA-N -1 3 323.284 3.676 20 5 DHBDHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000348943014 335623400 /nfs/dbraw/zinc/62/34/00/335623400.db2.gz WFYIVWZEAMPNHL-UHFFFAOYSA-N -1 3 322.704 3.686 20 5 DHBDHM C[C@H]1C[C@H]1c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)o1 ZINC000372231598 336925764 /nfs/dbraw/zinc/92/57/64/336925764.db2.gz CDPFIJOCYZIPSK-WCBMZHEXSA-N -1 3 304.277 3.703 20 5 DHBDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183382568 337191569 /nfs/dbraw/zinc/19/15/69/337191569.db2.gz BVGLEIBSXCOXHI-UHFFFAOYSA-N -1 3 323.308 3.811 20 5 DHBDHM Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000438963107 338357279 /nfs/dbraw/zinc/35/72/79/338357279.db2.gz DTWBWMCJJGJJKA-UHFFFAOYSA-N -1 3 314.341 3.985 20 5 DHBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc2cc(F)ccc2o1 ZINC000548093691 341246677 /nfs/dbraw/zinc/24/66/77/341246677.db2.gz PWXFGXNAYLWYBO-UHFFFAOYSA-N -1 3 318.235 3.872 20 5 DHBDHM Cc1ccccc1C[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549613504 341299129 /nfs/dbraw/zinc/29/91/29/341299129.db2.gz KOJVHUBWHHWEKQ-CQSZACIVSA-N -1 3 314.385 3.672 20 5 DHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000551062926 341330665 /nfs/dbraw/zinc/33/06/65/341330665.db2.gz ROVDQBFNKGORKC-IRXDYDNUSA-N -1 3 312.369 3.726 20 5 DHBDHM CSc1ccncc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610545569 1015409304 /nfs/dbraw/zinc/40/93/04/1015409304.db2.gz PAOFREWDUBGDQC-UHFFFAOYSA-N -1 3 323.761 3.617 20 5 DHBDHM CCc1cc(=O)[n-]c(CS[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000125558668 1020324508 /nfs/dbraw/zinc/32/45/08/1020324508.db2.gz CYZSIIZPWUYSHO-SNVBAGLBSA-N -1 3 319.386 3.647 20 5 DHBDHM O=C([N-]c1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000585715480 1024569776 /nfs/dbraw/zinc/56/97/76/1024569776.db2.gz QEWUJPUPTQWJEV-UHFFFAOYSA-N -1 3 318.141 3.610 20 5 DHBDHM Cc1ccc(F)c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1F ZINC000800144101 1024712720 /nfs/dbraw/zinc/71/27/20/1024712720.db2.gz LRPQHMAJCUXNTN-UHFFFAOYSA-N -1 3 324.258 3.881 20 5 DHBDHM O=C(CCC1CCCCC1)[N-]OCCc1ccc([N+](=O)[O-])cc1 ZINC000808257175 1026238880 /nfs/dbraw/zinc/23/88/80/1026238880.db2.gz MSRXSSLOQJCJFI-UHFFFAOYSA-N -1 3 320.389 3.546 20 5 DHBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1nc(Cl)sc1Cl ZINC000821670597 1029862310 /nfs/dbraw/zinc/86/23/10/1029862310.db2.gz KOAUQWYCZWTCFJ-UHFFFAOYSA-N -1 3 318.141 3.610 20 5 DHBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc([N+](=O)[O-])cc2)CC)n1 ZINC000193616853 1034848971 /nfs/dbraw/zinc/84/89/71/1034848971.db2.gz GMIXYKLGKMKJNI-RAXLEYEMSA-N -1 3 313.357 3.581 20 5 DHBDHM COc1ccc(Nc2cnc3cccc([O-])c3c2)cc1[N+](=O)[O-] ZINC001176363012 1035256978 /nfs/dbraw/zinc/25/69/78/1035256978.db2.gz KABIHCLDGIKMKG-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM C[C@@]1(c2ccccc2)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001197343503 1036743892 /nfs/dbraw/zinc/74/38/92/1036743892.db2.gz SYGAAGZPZROAKG-SFHVURJKSA-N -1 3 312.369 3.812 20 5 DHBDHM C[C@@H](c1ccccc1)n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC001186791759 1037497933 /nfs/dbraw/zinc/49/79/33/1037497933.db2.gz NPHWBOBUHSRGCW-JTQLQIEISA-N -1 3 315.358 3.601 20 5 DHBDHM Cc1c([N-]c2ncccc2[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC001186887751 1037515973 /nfs/dbraw/zinc/51/59/73/1037515973.db2.gz BSHHFYWDHHEULC-UHFFFAOYSA-N -1 3 309.329 3.536 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(F)cc2Cl)c1 ZINC001201223465 1037580890 /nfs/dbraw/zinc/58/08/90/1037580890.db2.gz ZGAWVKCTRNQUOD-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000152936034 1037652679 /nfs/dbraw/zinc/65/26/79/1037652679.db2.gz VTEPRYMALBKBHT-UHFFFAOYSA-N -1 3 321.720 3.674 20 5 DHBDHM C[C@H](c1ccccc1)n1ccc([N-]c2cccnc2[N+](=O)[O-])n1 ZINC000610735267 430566153 /nfs/dbraw/zinc/56/61/53/430566153.db2.gz RPTPWIDCZXALKX-GFCCVEGCSA-N -1 3 309.329 3.539 20 5 DHBDHM COc1cccc(C(=O)[N-]c2cc(Cl)ccc2F)c1[N+](=O)[O-] ZINC000193851746 337079582 /nfs/dbraw/zinc/07/95/82/337079582.db2.gz YZPGZAMCAPTMQM-UHFFFAOYSA-N -1 3 324.695 3.648 20 5 DHBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3)no2)c(Cl)c1 ZINC000436767139 338286324 /nfs/dbraw/zinc/28/63/24/338286324.db2.gz FNPJVPNSULNNFF-UHFFFAOYSA-N -1 3 317.688 3.671 20 5 DHBDHM O=C([N-]c1ccc(-c2ccccc2)cn1)c1ccc([N+](=O)[O-])o1 ZINC000194869038 340596678 /nfs/dbraw/zinc/59/66/78/340596678.db2.gz UKFZKJQPSPNBGZ-UHFFFAOYSA-N -1 3 309.281 3.502 20 5 DHBDHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cccc1[N+](=O)[O-] ZINC000552433685 341393584 /nfs/dbraw/zinc/39/35/84/341393584.db2.gz XAGOCHANVJFIBK-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([O-])c1 ZINC000017410127 1013186928 /nfs/dbraw/zinc/18/69/28/1013186928.db2.gz CUIGAEYSCPCCHJ-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM C[C@@H](NCc1cccc([O-])c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000328482948 1014184160 /nfs/dbraw/zinc/18/41/60/1014184160.db2.gz QFOUJMPTWVWWPT-SNVBAGLBSA-N -1 3 306.749 3.805 20 5 DHBDHM Cc1sc(C(=O)[N-]c2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000348144555 1032482796 /nfs/dbraw/zinc/48/27/96/1032482796.db2.gz NIZPGMJAPPBAGP-UHFFFAOYSA-N -1 3 316.260 3.634 20 5 DHBDHM Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000008378794 1017943905 /nfs/dbraw/zinc/94/39/05/1017943905.db2.gz BDVBBWXATNYHMI-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000179548173 1020405309 /nfs/dbraw/zinc/40/53/09/1020405309.db2.gz WMQIXHPDERKZFJ-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1cc(=O)[n-]c(CS[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000778623304 1028996166 /nfs/dbraw/zinc/99/61/66/1028996166.db2.gz NTYKFHWTUHGHIX-LLVKDONJSA-N -1 3 319.386 3.702 20 5 DHBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000906275062 1035878980 /nfs/dbraw/zinc/87/89/80/1035878980.db2.gz JSIJHDIXRIQFAA-UHFFFAOYSA-N -1 3 303.318 3.575 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3cccc(F)c3)no2)c1 ZINC001199818936 1037335494 /nfs/dbraw/zinc/33/54/94/1037335494.db2.gz HWOCVSLTVCNMPR-UHFFFAOYSA-N -1 3 315.260 3.838 20 5 DHBDHM Cc1ccc2sc(Nc3cc([O-])cc([N+](=O)[O-])c3)nc2c1 ZINC001199801797 1037340013 /nfs/dbraw/zinc/34/00/13/1037340013.db2.gz JTKLLOJABOPNKT-UHFFFAOYSA-N -1 3 301.327 3.962 20 5 DHBDHM COc1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)cnc2c1 ZINC001199814391 1037344457 /nfs/dbraw/zinc/34/44/57/1037344457.db2.gz IIDDMBXWAXJDPO-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM CCc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC001199814845 1037345152 /nfs/dbraw/zinc/34/51/52/1037345152.db2.gz OVUZLEARNWITMU-UHFFFAOYSA-N -1 3 324.340 3.792 20 5 DHBDHM CCOc1ccc(OCC)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828219 1037351231 /nfs/dbraw/zinc/35/12/31/1037351231.db2.gz CPSFQUIWNZQOKO-UHFFFAOYSA-N -1 3 318.329 3.841 20 5 DHBDHM COc1ccc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2n1 ZINC001201232661 1037574214 /nfs/dbraw/zinc/57/42/14/1037574214.db2.gz UADJLPPHAHDHSQ-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(F)c2N2CCCC2)c1 ZINC001201229254 1037574925 /nfs/dbraw/zinc/57/49/25/1037574925.db2.gz JNDQIVDXDQREHK-UHFFFAOYSA-N -1 3 317.320 3.783 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(C(F)(F)F)ccc2O)c1 ZINC001201222891 1037581081 /nfs/dbraw/zinc/58/10/81/1037581081.db2.gz RMIFBKWMJXWACD-UHFFFAOYSA-N -1 3 314.219 3.768 20 5 DHBDHM Nc1ccc(C(F)(F)F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221892 1037582439 /nfs/dbraw/zinc/58/24/39/1037582439.db2.gz JJHHVWDFCJVWQP-UHFFFAOYSA-N -1 3 313.235 3.645 20 5 DHBDHM CCCCOc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596088191 1040303438 /nfs/dbraw/zinc/30/34/38/1040303438.db2.gz IJXKTSAOLCDXRU-UHFFFAOYSA-N -1 3 303.318 3.618 20 5 DHBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596250997 1040346580 /nfs/dbraw/zinc/34/65/80/1040346580.db2.gz WZNLFCCUXXOWQZ-UONOGXRCSA-N -1 3 313.357 3.691 20 5 DHBDHM CC(C)Sc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398159 336245432 /nfs/dbraw/zinc/24/54/32/336245432.db2.gz ZNGOMJDMAKRXBU-UHFFFAOYSA-N -1 3 317.370 3.743 20 5 DHBDHM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1cnn(-c2ccccc2)c1 ZINC000301745250 336327150 /nfs/dbraw/zinc/32/71/50/336327150.db2.gz NZTMWZITIUITKD-UHFFFAOYSA-N -1 3 315.720 3.573 20 5 DHBDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000183382543 337191585 /nfs/dbraw/zinc/19/15/85/337191585.db2.gz CDDWPWWWJMGJBO-UHFFFAOYSA-N -1 3 323.308 3.811 20 5 DHBDHM COc1c(C(=O)[N-]c2ccccc2SC)cccc1[N+](=O)[O-] ZINC000474408793 339413188 /nfs/dbraw/zinc/41/31/88/339413188.db2.gz MALMNOJJOPSGFZ-UHFFFAOYSA-N -1 3 318.354 3.578 20 5 DHBDHM CC(C)(C)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c([O-])c1 ZINC000501942960 340091173 /nfs/dbraw/zinc/09/11/73/340091173.db2.gz ADSXWBKJAPDHGA-UHFFFAOYSA-N -1 3 320.370 3.912 20 5 DHBDHM CC(C)c1scnc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000564370120 341314673 /nfs/dbraw/zinc/31/46/73/341314673.db2.gz MMXKGJPUQDLWFU-UHFFFAOYSA-N -1 3 309.322 3.566 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c([O-])cccc1Cl ZINC000581972398 1015602342 /nfs/dbraw/zinc/60/23/42/1015602342.db2.gz LTGYQRVWLYZCHU-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM Cc1sc(C(=O)Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000339007099 1016793404 /nfs/dbraw/zinc/79/34/04/1016793404.db2.gz ATBYAXIKBFMPJO-UHFFFAOYSA-N -1 3 312.734 3.576 20 5 DHBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000339100623 1016810458 /nfs/dbraw/zinc/81/04/58/1016810458.db2.gz QLFAORLPZLPZTH-LBPRGKRZSA-N -1 3 320.414 3.815 20 5 DHBDHM Nc1ccc2n(-c3cccc([O-])c3F)c3ccccc3cc-2c1=O ZINC001212553204 1018448284 /nfs/dbraw/zinc/44/82/84/1018448284.db2.gz HIHZXNNLYVOAPZ-UHFFFAOYSA-N -1 3 320.323 3.522 20 5 DHBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc([O-])c(F)c3)sc2c1 ZINC000737430374 1021000711 /nfs/dbraw/zinc/00/07/11/1021000711.db2.gz QRNUXYLFRWGGCP-UHFFFAOYSA-N -1 3 319.317 3.661 20 5 DHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2[O-])c1 ZINC000050178291 1024725873 /nfs/dbraw/zinc/72/58/73/1024725873.db2.gz NYQWOMPSGIZVHQ-UHFFFAOYSA-N -1 3 318.354 3.583 20 5 DHBDHM O=c1cc(C=Cc2cc([N+](=O)[O-])ccc2Cl)nc(C2CC2)[n-]1 ZINC000806563982 1025923248 /nfs/dbraw/zinc/92/32/48/1025923248.db2.gz GOBXQRFDWLOOIH-ARJAWSKDSA-N -1 3 317.732 3.792 20 5 DHBDHM CC(C)c1c(Cl)ncnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828811 1037343370 /nfs/dbraw/zinc/34/33/70/1037343370.db2.gz UFWNORDRVFGWBR-UHFFFAOYSA-N -1 3 308.725 3.611 20 5 DHBDHM Cc1cnn(-c2cccc(C)c2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828873 1037345302 /nfs/dbraw/zinc/34/53/02/1037345302.db2.gz XBPQHIJPQHEKOS-UHFFFAOYSA-N -1 3 324.340 3.847 20 5 DHBDHM Cc1nc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2s1 ZINC001199828835 1037346071 /nfs/dbraw/zinc/34/60/71/1037346071.db2.gz VCFLWYIEAXUXMR-UHFFFAOYSA-N -1 3 301.327 3.962 20 5 DHBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2ccncc12 ZINC001201229075 1037574716 /nfs/dbraw/zinc/57/47/16/1037574716.db2.gz BNNBCQLADNZUDA-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM CC(C)OCc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224876 1037581171 /nfs/dbraw/zinc/58/11/71/1037581171.db2.gz UWHFJAWELMDCKL-UHFFFAOYSA-N -1 3 302.330 3.969 20 5 DHBDHM COc1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2n1 ZINC001201222504 1037581600 /nfs/dbraw/zinc/58/16/00/1037581600.db2.gz NOTLYASXMLIOEC-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM CCOC(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001201222076 1037581675 /nfs/dbraw/zinc/58/16/75/1037581675.db2.gz KAOGDZNPTYKYCR-UHFFFAOYSA-N -1 3 316.313 3.529 20 5 DHBDHM O=C([N-]c1cc(Cl)cc2cccnc21)c1ccc([N+](=O)[O-])o1 ZINC000603459709 1038981849 /nfs/dbraw/zinc/98/18/49/1038981849.db2.gz SITNURPKPWANDH-UHFFFAOYSA-N -1 3 317.688 3.642 20 5 DHBDHM O=c1[n-]c(-c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc12 ZINC000603919109 1039230557 /nfs/dbraw/zinc/23/05/57/1039230557.db2.gz RRTRNWMOMXSBQC-UHFFFAOYSA-N -1 3 301.689 3.564 20 5 DHBDHM CN(Cc1ccc(C(C)(C)C)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596051053 1040292630 /nfs/dbraw/zinc/29/26/30/1040292630.db2.gz UNBWEYFAVKHXPD-UHFFFAOYSA-N -1 3 315.373 3.629 20 5 DHBDHM O=c1[n-]ccc(N2CCCC3(C2)CCCCCC3)c1[N+](=O)[O-] ZINC000596142255 1040314550 /nfs/dbraw/zinc/31/45/50/1040314550.db2.gz PEYXOFNFDHYTCJ-UHFFFAOYSA-N -1 3 305.378 3.636 20 5 DHBDHM O=c1[n-]ccc(NCCCCCc2ccccc2)c1[N+](=O)[O-] ZINC000596109279 1040320676 /nfs/dbraw/zinc/32/06/76/1040320676.db2.gz UXVMPPQMKWHYOW-UHFFFAOYSA-N -1 3 301.346 3.520 20 5 DHBDHM O=c1[n-]ccc(N2CCCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000596205460 1040349921 /nfs/dbraw/zinc/34/99/21/1040349921.db2.gz IKDOCYSEYNMCDR-UHFFFAOYSA-N -1 3 305.378 3.636 20 5 DHBDHM CCc1cnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000175294143 332883828 /nfs/dbraw/zinc/88/38/28/332883828.db2.gz HNICAKVVOLUNGP-UHFFFAOYSA-N -1 3 311.750 3.519 20 5 DHBDHM O=[N+]([O-])c1cnc([N-]c2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000301274994 336298134 /nfs/dbraw/zinc/29/81/34/336298134.db2.gz LSJREMPPUDDHOJ-UHFFFAOYSA-N -1 3 315.720 3.573 20 5 DHBDHM Cc1c([N-]c2nc(C)ccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000302876913 336372873 /nfs/dbraw/zinc/37/28/73/336372873.db2.gz GGGFSCONYPQRSM-UHFFFAOYSA-N -1 3 301.350 3.662 20 5 DHBDHM C[C@@H]1C[C@H]1c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000376536447 337036135 /nfs/dbraw/zinc/03/61/35/337036135.db2.gz XKMMZQBYHRGIFH-HTQZYQBOSA-N -1 3 322.267 3.842 20 5 DHBDHM Cc1cccc(C(=O)[N-]c2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC000173070027 340357475 /nfs/dbraw/zinc/35/74/75/340357475.db2.gz VWDUYURLDPJIHJ-UHFFFAOYSA-N -1 3 323.308 3.811 20 5 DHBDHM Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c([O-])c1 ZINC000547098114 341195738 /nfs/dbraw/zinc/19/57/38/341195738.db2.gz KXAAXGFETXKBKG-UHFFFAOYSA-N -1 3 311.297 3.634 20 5 DHBDHM Cc1c([N-]c2ncc(Cl)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000346697006 1016512381 /nfs/dbraw/zinc/51/23/81/1016512381.db2.gz ZDHJKTKPMPBUQS-UHFFFAOYSA-N -1 3 309.757 3.548 20 5 DHBDHM Cc1cc(F)c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(F)c1 ZINC001128409737 1019594998 /nfs/dbraw/zinc/59/49/98/1019594998.db2.gz LCMSSDLWRILKOW-UHFFFAOYSA-N -1 3 324.258 3.881 20 5 DHBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1[O-] ZINC000153546504 1020332813 /nfs/dbraw/zinc/33/28/13/1020332813.db2.gz FRRRFPLDHSBYMZ-UHFFFAOYSA-N -1 3 320.732 3.525 20 5 DHBDHM O=C(CCC1CCCCC1)[N-]OCc1c(F)cccc1[N+](=O)[O-] ZINC000733997814 1020546666 /nfs/dbraw/zinc/54/66/66/1020546666.db2.gz GBJRLRKKQICWDW-UHFFFAOYSA-N -1 3 324.352 3.642 20 5 DHBDHM O=c1[n-]ccc(NCCCCCCc2ccccc2)c1[N+](=O)[O-] ZINC000858681047 1032980130 /nfs/dbraw/zinc/98/01/30/1032980130.db2.gz CSBXWUZDEDWLOM-UHFFFAOYSA-N -1 3 315.373 3.910 20 5 DHBDHM Cc1ccccc1[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338959033 1022410139 /nfs/dbraw/zinc/41/01/39/1022410139.db2.gz XKQVHZPXHZDPAM-CQSZACIVSA-N -1 3 312.369 3.598 20 5 DHBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000786031909 1023654206 /nfs/dbraw/zinc/65/42/06/1023654206.db2.gz UILMRHBZGHJBFU-VIFPVBQESA-N -1 3 300.270 3.587 20 5 DHBDHM CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(F)c1C ZINC001225668132 1027238143 /nfs/dbraw/zinc/23/81/43/1027238143.db2.gz YXNDNIXHXLXALO-ZDUSSCGKSA-N -1 3 306.293 3.673 20 5 DHBDHM O=[N+]([O-])c1ccc(/C=C/c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000577031684 1027695135 /nfs/dbraw/zinc/69/51/35/1027695135.db2.gz CKUSHAMHDSONJD-OWOJBTEDSA-N -1 3 310.231 3.885 20 5 DHBDHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769204 1028260792 /nfs/dbraw/zinc/26/07/92/1028260792.db2.gz NQOMFOJPUNTFGP-OCCSQVGLSA-N -1 3 306.406 3.947 20 5 DHBDHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000872026393 1031410860 /nfs/dbraw/zinc/41/08/60/1031410860.db2.gz AFBIEDWZXJOGIM-GHMZBOCLSA-N -1 3 304.321 3.851 20 5 DHBDHM Cc1ccc([C@H](C)NCc2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000293486545 1031488255 /nfs/dbraw/zinc/48/82/55/1031488255.db2.gz AGVYQERFOVHLBD-JTQLQIEISA-N -1 3 322.311 3.738 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)nc2Cl)c1 ZINC001199801729 1037341872 /nfs/dbraw/zinc/34/18/72/1037341872.db2.gz IHFJWVOTKFGMIY-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM Cc1nc(C(F)(F)F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814417 1037343945 /nfs/dbraw/zinc/34/39/45/1037343945.db2.gz JMXUBXZVMWLSNX-UHFFFAOYSA-N -1 3 313.235 3.766 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cc3ccccc3)no2)c1 ZINC001199802805 1037344429 /nfs/dbraw/zinc/34/44/29/1037344429.db2.gz YQIHFVOAIQDYRZ-UHFFFAOYSA-N -1 3 311.297 3.623 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(Cl)cc2Cl)c1 ZINC001199815200 1037345057 /nfs/dbraw/zinc/34/50/57/1037345057.db2.gz WBXBEEWAAWZWJB-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc3ocnc3cc2Cl)c1 ZINC001201229110 1037572951 /nfs/dbraw/zinc/57/29/51/1037572951.db2.gz CPTZJYCMONMCHM-UHFFFAOYSA-N -1 3 305.677 3.839 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(Cl)cc2F)c1 ZINC001201230031 1037574501 /nfs/dbraw/zinc/57/45/01/1037574501.db2.gz VAOQSAHYYYCWHR-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM CC(C)Oc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201229742 1037574775 /nfs/dbraw/zinc/57/47/75/1037574775.db2.gz QKHNRPKGAIJYOM-UHFFFAOYSA-N -1 3 306.293 3.970 20 5 DHBDHM Cc1nccn1Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222373 1037579863 /nfs/dbraw/zinc/57/98/63/1037579863.db2.gz LXCCPUISRAQRIC-UHFFFAOYSA-N -1 3 324.340 3.597 20 5 DHBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1OC(F)F ZINC001201224983 1037580670 /nfs/dbraw/zinc/58/06/70/1037580670.db2.gz YBTQKXWTNBOSJK-UHFFFAOYSA-N -1 3 310.256 3.954 20 5 DHBDHM Nc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001201222312 1037582676 /nfs/dbraw/zinc/58/26/76/1037582676.db2.gz LMMIJMUWDWNJLU-UHFFFAOYSA-N -1 3 313.235 3.645 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CCCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000599201321 1039092677 /nfs/dbraw/zinc/09/26/77/1039092677.db2.gz IXYOHNQMKJHJAF-GFCCVEGCSA-N -1 3 319.748 3.838 20 5 DHBDHM O=c1[n-]ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000596058009 1040292239 /nfs/dbraw/zinc/29/22/39/1040292239.db2.gz FULYLKQSMIPYFP-ZDUSSCGKSA-N -1 3 319.748 3.912 20 5 DHBDHM CCC[C@@H](CCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147086 1040317595 /nfs/dbraw/zinc/31/75/95/1040317595.db2.gz RZUBOGFEZWJOHH-AWEZNQCLSA-N -1 3 315.373 3.909 20 5 DHBDHM Cc1nc(C(C)C)oc1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000297672726 132028102 /nfs/dbraw/zinc/02/81/02/132028102.db2.gz GKCIPWJLFKLQBA-UHFFFAOYSA-N -1 3 323.736 3.920 20 5 DHBDHM CC(C)Cn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C(C)C ZINC000409730376 332050961 /nfs/dbraw/zinc/05/09/61/332050961.db2.gz HNICJKPJVGCYKA-UHFFFAOYSA-N -1 3 309.395 3.771 20 5 DHBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c([O-])cccc1Cl ZINC000560821297 332388626 /nfs/dbraw/zinc/38/86/26/332388626.db2.gz CPUNTUMEDRVIEK-UHFFFAOYSA-N -1 3 320.732 3.525 20 5 DHBDHM Cc1c([N-]c2nc(C)ccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000434956668 338228184 /nfs/dbraw/zinc/22/81/84/338228184.db2.gz ZIGGYVDFFSGDKM-UHFFFAOYSA-N -1 3 309.329 3.536 20 5 DHBDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc([N+](=O)[O-])cc2)CC)n1 ZINC000435335212 338237163 /nfs/dbraw/zinc/23/71/63/338237163.db2.gz GMIXYKLGKMKJNI-JLHYYAGUSA-N -1 3 313.357 3.581 20 5 DHBDHM CC(C)(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000501945016 340091197 /nfs/dbraw/zinc/09/11/97/340091197.db2.gz GUJHBKJQTLUWAP-UHFFFAOYSA-N -1 3 314.341 3.850 20 5 DHBDHM Cc1ccc([C@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000549932458 341307208 /nfs/dbraw/zinc/30/72/08/341307208.db2.gz SJYYBCZVKIGBJL-HNNXBMFYSA-N -1 3 312.369 3.598 20 5 DHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccoc1C(F)(F)F ZINC000361716010 1032065995 /nfs/dbraw/zinc/06/59/95/1032065995.db2.gz DOBYAIMBBFUBLR-UHFFFAOYSA-N -1 3 318.182 3.598 20 5 DHBDHM CC[C@@H](C)n1ncc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000477700983 1015610886 /nfs/dbraw/zinc/61/08/86/1015610886.db2.gz IWRNPFXDQIAKOW-LLVKDONJSA-N -1 3 303.366 3.826 20 5 DHBDHM Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c([O-])c1C ZINC000445468225 1017869097 /nfs/dbraw/zinc/86/90/97/1017869097.db2.gz DDMCRVJHBQJIEV-UHFFFAOYSA-N -1 3 317.326 3.696 20 5 DHBDHM CCc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000611101762 1019396408 /nfs/dbraw/zinc/39/64/08/1019396408.db2.gz HNHTVIQTUUUFMI-UHFFFAOYSA-N -1 3 320.732 3.769 20 5 DHBDHM CC[C@@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C1CC1 ZINC000337030230 1032884875 /nfs/dbraw/zinc/88/48/75/1032884875.db2.gz XUHNVZMLZIISHT-MRVPVSSYSA-N -1 3 307.379 3.840 20 5 DHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Cl)s1 ZINC000073906643 1020474234 /nfs/dbraw/zinc/47/42/34/1020474234.db2.gz ZHGNPGCGBAQQCF-UHFFFAOYSA-N -1 3 318.688 3.840 20 5 DHBDHM CCCOc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000858824442 1033008803 /nfs/dbraw/zinc/00/88/03/1033008803.db2.gz DBVAVOVXFFBKMG-UHFFFAOYSA-N -1 3 303.318 3.536 20 5 DHBDHM CSc1ccc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)o1 ZINC000800149896 1024713746 /nfs/dbraw/zinc/71/37/46/1024713746.db2.gz WXFYKJOBMSMLKZ-UHFFFAOYSA-N -1 3 310.306 3.610 20 5 DHBDHM CC(C)Cn1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000413296071 1026800399 /nfs/dbraw/zinc/80/03/99/1026800399.db2.gz HXXDZZANCLINMN-UHFFFAOYSA-N -1 3 319.340 3.602 20 5 DHBDHM CC(C)c1scnc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000812834223 1027436512 /nfs/dbraw/zinc/43/65/12/1027436512.db2.gz OGBDUDCDNUNWFR-UHFFFAOYSA-N -1 3 309.322 3.566 20 5 DHBDHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000872026395 1031410004 /nfs/dbraw/zinc/41/00/04/1031410004.db2.gz AFBIEDWZXJOGIM-QWRGUYRKSA-N -1 3 304.321 3.851 20 5 DHBDHM Cc1c(CN[C@@H](C)c2cccc([O-])c2F)cccc1[N+](=O)[O-] ZINC000872067223 1031462739 /nfs/dbraw/zinc/46/27/39/1031462739.db2.gz VTBQVZQKNFFCOU-NSHDSACASA-N -1 3 304.321 3.599 20 5 DHBDHM CSc1ccccc1[N-]C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067803829 1034951754 /nfs/dbraw/zinc/95/17/54/1034951754.db2.gz XDWGVXDYLYVRHT-UHFFFAOYSA-N -1 3 324.308 3.847 20 5 DHBDHM CC(C)(C)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC001176671888 1035310293 /nfs/dbraw/zinc/31/02/93/1035310293.db2.gz CLBDAPFMMXVFAT-UHFFFAOYSA-N -1 3 315.329 3.729 20 5 DHBDHM Cc1c(Br)nccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818898 1037333462 /nfs/dbraw/zinc/33/34/62/1037333462.db2.gz GGZWIIRRXFNZOB-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1ccccc1-n1nccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819129 1037333890 /nfs/dbraw/zinc/33/38/90/1037333890.db2.gz LFQGNSNGGUCWCJ-UHFFFAOYSA-N -1 3 310.313 3.538 20 5 DHBDHM COc1cccc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001199819031 1037334881 /nfs/dbraw/zinc/33/48/81/1037334881.db2.gz JLXPZJBOGDLBEP-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)nc(Cl)c2)c1 ZINC001199801702 1037341778 /nfs/dbraw/zinc/34/17/78/1037341778.db2.gz HGCWBDLHVFCKCB-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM Cc1ccnc(Br)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815243 1037343109 /nfs/dbraw/zinc/34/31/09/1037343109.db2.gz XEVJXYXAXZISGU-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1cc(Br)nc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199814713 1037344293 /nfs/dbraw/zinc/34/42/93/1037344293.db2.gz NPAOMRCZAOGNEG-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM CCOC(=O)c1cc(C)sc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802838 1037345338 /nfs/dbraw/zinc/34/53/38/1037345338.db2.gz ZWPJVWOTZRNQQJ-UHFFFAOYSA-N -1 3 322.342 3.591 20 5 DHBDHM Cc1nc(Br)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814394 1037345477 /nfs/dbraw/zinc/34/54/77/1037345477.db2.gz INXFFCLVKWFOKO-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(-c2cccc(C)c2)n1 ZINC001199814718 1037346039 /nfs/dbraw/zinc/34/60/39/1037346039.db2.gz NSIKUDQSIXUATN-UHFFFAOYSA-N -1 3 324.340 3.847 20 5 DHBDHM Cc1cnn(-c2ccc(C)cc2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828274 1037350624 /nfs/dbraw/zinc/35/06/24/1037350624.db2.gz FEADBTMQGVPPQC-UHFFFAOYSA-N -1 3 324.340 3.847 20 5 DHBDHM Cc1ccc(OC(=O)c2cc3ccsc3[n-]2)c([N+](=O)[O-])c1 ZINC000917027428 1038123315 /nfs/dbraw/zinc/12/33/15/1038123315.db2.gz CTGHNSKGALLBEV-UHFFFAOYSA-N -1 3 302.311 3.665 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596218872 1040338085 /nfs/dbraw/zinc/33/80/85/1040338085.db2.gz JDSQAWBIYJNCEV-UMSPYCQHSA-N -1 3 319.748 3.707 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000596218082 1040338742 /nfs/dbraw/zinc/33/87/42/1040338742.db2.gz UBLUEXYOLZRAIH-DGCLKSJQSA-N -1 3 317.320 3.583 20 5 DHBDHM O=c1[n-]ccc(NC[C@H]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596250996 1040347675 /nfs/dbraw/zinc/34/76/75/1040347675.db2.gz WZNLFCCUXXOWQZ-KGLIPLIRSA-N -1 3 313.357 3.691 20 5 DHBDHM O=c1[n-]ccc(N[C@@H](C2CCC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000596293773 1040357772 /nfs/dbraw/zinc/35/77/72/1040357772.db2.gz XMYUBXVZMZSCJX-CQSZACIVSA-N -1 3 305.378 3.856 20 5 DHBDHM Cc1noc(C)c1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000340264874 131308914 /nfs/dbraw/zinc/30/89/14/131308914.db2.gz RCWKCXQUWHJQGS-UHFFFAOYSA-N -1 3 317.326 3.667 20 5 DHBDHM O=C([N-]c1cc(F)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000109738546 331591966 /nfs/dbraw/zinc/59/19/66/331591966.db2.gz KRNIXPINRYEJMS-UHFFFAOYSA-N -1 3 312.659 3.779 20 5 DHBDHM CCCCn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C(C)C ZINC000409664224 332044760 /nfs/dbraw/zinc/04/47/60/332044760.db2.gz HVLJZKRYWZUHOH-UHFFFAOYSA-N -1 3 309.395 3.915 20 5 DHBDHM Cc1cccc(C(=O)[N-]c2cc(F)cc(F)c2F)c1[N+](=O)[O-] ZINC000348139543 335556482 /nfs/dbraw/zinc/55/64/82/335556482.db2.gz CWXYZLIDCIPHEP-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000583100981 337240744 /nfs/dbraw/zinc/24/07/44/337240744.db2.gz FCUZTYHFKSYLFJ-CYBMUJFWSA-N -1 3 314.385 3.756 20 5 DHBDHM O=C([N-]c1nccc2sccc21)c1ccc([N+](=O)[O-])s1 ZINC000186075784 337253325 /nfs/dbraw/zinc/25/33/25/337253325.db2.gz WAVUMMUHCUMWKP-UHFFFAOYSA-N -1 3 305.340 3.518 20 5 DHBDHM O=[N+]([O-])c1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435964395 338254515 /nfs/dbraw/zinc/25/45/15/338254515.db2.gz WTJPWELEOMGPRQ-RUDMXATFSA-N -1 3 309.281 3.521 20 5 DHBDHM O=C([N-]c1cc(F)ccc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000492886406 339911573 /nfs/dbraw/zinc/91/15/73/339911573.db2.gz JGRWQWKKLBJSSZ-UHFFFAOYSA-N -1 3 318.235 3.872 20 5 DHBDHM CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000501945700 340091234 /nfs/dbraw/zinc/09/12/34/340091234.db2.gz IZKRNTNRHYLOLH-UHFFFAOYSA-N -1 3 314.341 3.850 20 5 DHBDHM Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c1[O-] ZINC000546398612 341166698 /nfs/dbraw/zinc/16/66/98/341166698.db2.gz NRILYZHLZDRQSK-UHFFFAOYSA-N -1 3 311.297 3.634 20 5 DHBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000547700997 341227312 /nfs/dbraw/zinc/22/73/12/341227312.db2.gz PSOVOQAXLYJDRE-VMPITWQZSA-N -1 3 323.308 3.829 20 5 DHBDHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000125558396 1020325325 /nfs/dbraw/zinc/32/53/25/1020325325.db2.gz CYZSIIZPWUYSHO-JTQLQIEISA-N -1 3 319.386 3.647 20 5 DHBDHM O=C([N-]c1nc(C2CCCCC2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000601427177 1021840390 /nfs/dbraw/zinc/84/03/90/1021840390.db2.gz XDBZRLJKVBIHQO-UHFFFAOYSA-N -1 3 321.358 3.944 20 5 DHBDHM Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c([O-])c1 ZINC000106465523 1023339973 /nfs/dbraw/zinc/33/99/73/1023339973.db2.gz DOJBTXGBJJWMLN-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769205 1028259444 /nfs/dbraw/zinc/25/94/44/1028259444.db2.gz NQOMFOJPUNTFGP-TZMCWYRMSA-N -1 3 306.406 3.947 20 5 DHBDHM CC(C)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000122433578 1030702319 /nfs/dbraw/zinc/70/23/19/1030702319.db2.gz KLYYZMYGKYTHTI-UHFFFAOYSA-N -1 3 309.322 3.566 20 5 DHBDHM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc([O-])c1F ZINC000872054600 1031442775 /nfs/dbraw/zinc/44/27/75/1031442775.db2.gz ZPRUVLPTELBFRC-GHMZBOCLSA-N -1 3 304.321 3.851 20 5 DHBDHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC000872072786 1031469027 /nfs/dbraw/zinc/46/90/27/1031469027.db2.gz JZQUAQZXYWQDOH-QWRGUYRKSA-N -1 3 304.321 3.851 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnnc3ccc(Cl)cc32)c1 ZINC001199819497 1037334259 /nfs/dbraw/zinc/33/42/59/1037334259.db2.gz USLAXCPHBLNKDM-UHFFFAOYSA-N -1 3 316.704 3.641 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(-c3ccccc3)cn2)c1 ZINC001199801170 1037340926 /nfs/dbraw/zinc/34/09/26/1037340926.db2.gz AVLYMUMFKMZANH-UHFFFAOYSA-N -1 3 308.297 3.501 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(Cl)c(Cl)c2)c1 ZINC001199815082 1037343592 /nfs/dbraw/zinc/34/35/92/1037343592.db2.gz STTFUGRDFDVSOW-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(-c3ccncc3)cs2)c1 ZINC001199802759 1037345453 /nfs/dbraw/zinc/34/54/53/1037345453.db2.gz XXYVYLIXPWVGPO-UHFFFAOYSA-N -1 3 314.326 3.563 20 5 DHBDHM Cc1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Br ZINC001199814093 1037345522 /nfs/dbraw/zinc/34/55/22/1037345522.db2.gz DYJYYQWTEUHUQT-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-c3ccncn3)cc2)c1 ZINC001201224873 1037580461 /nfs/dbraw/zinc/58/04/61/1037580461.db2.gz URSQYQWKSNSCTM-UHFFFAOYSA-N -1 3 308.297 3.501 20 5 DHBDHM Cc1cc(C)n(-c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2)n1 ZINC001201224955 1037580797 /nfs/dbraw/zinc/58/07/97/1037580797.db2.gz XAYHNPDVKCBODO-UHFFFAOYSA-N -1 3 324.340 3.847 20 5 DHBDHM Nc1cc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001201223568 1037580872 /nfs/dbraw/zinc/58/08/72/1037580872.db2.gz AZZLZOMLNXWWDD-UHFFFAOYSA-N -1 3 314.128 3.933 20 5 DHBDHM O=c1[n-]ccc(NCC2(c3ccccc3)CCCC2)c1[N+](=O)[O-] ZINC000596066650 1040300002 /nfs/dbraw/zinc/30/00/02/1040300002.db2.gz VBHCKZLGWRPZGJ-UHFFFAOYSA-N -1 3 313.357 3.619 20 5 DHBDHM O=c1[n-]ccc(S[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000596164518 1040333693 /nfs/dbraw/zinc/33/36/93/1040333693.db2.gz ZGGPCXHNNULINO-GFCCVEGCSA-N -1 3 302.355 3.865 20 5 DHBDHM CC(C)(C)c1ncsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000080855625 192194825 /nfs/dbraw/zinc/19/48/25/192194825.db2.gz XUFIJONQONBJTD-UHFFFAOYSA-N -1 3 323.349 3.740 20 5 DHBDHM O=[N+]([O-])c1ccccc1NCc1ccc([O-])c(Br)c1 ZINC000062702567 184248146 /nfs/dbraw/zinc/24/81/46/184248146.db2.gz ABINHKZHCKYUNQ-UHFFFAOYSA-N -1 3 323.146 3.675 20 5 DHBDHM CC(C)(C)n1cc([N-]c2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000473513132 435143051 /nfs/dbraw/zinc/14/30/51/435143051.db2.gz KXOMGHWTAPFWMT-UHFFFAOYSA-N -1 3 311.345 3.838 20 5 DHBDHM O=[N+]([O-])c1ccccc1CN(Cc1cc([O-])cc(F)c1)C1CC1 ZINC000186183002 337254323 /nfs/dbraw/zinc/25/43/23/337254323.db2.gz ZGXFLXORDDSRBA-UHFFFAOYSA-N -1 3 316.332 3.604 20 5 DHBDHM O=[N+]([O-])c1cccc(CN(Cc2cc([O-])cc(F)c2)C2CC2)c1 ZINC000186182947 337254392 /nfs/dbraw/zinc/25/43/92/337254392.db2.gz MOCUIYHBIHNEDD-UHFFFAOYSA-N -1 3 316.332 3.604 20 5 DHBDHM O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436769368 338286611 /nfs/dbraw/zinc/28/66/11/338286611.db2.gz NAMZCZZIULJZLS-JXMROGBWSA-N -1 3 309.281 3.521 20 5 DHBDHM O=[N+]([O-])c1cnc(C(F)(F)F)cc1Sc1cccc([O-])c1 ZINC000236572441 340662721 /nfs/dbraw/zinc/66/27/21/340662721.db2.gz OOOOMWFUMPUXTO-UHFFFAOYSA-N -1 3 316.260 3.865 20 5 DHBDHM C/C=C/c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000577889752 341946995 /nfs/dbraw/zinc/94/69/95/341946995.db2.gz JQPWKLSIMCOSBO-NSCUHMNNSA-N -1 3 322.324 3.757 20 5 DHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1coc(C2CCCC2)n1 ZINC000337947533 527263392 /nfs/dbraw/zinc/26/33/92/527263392.db2.gz NJYPCFDKDHVPFY-UHFFFAOYSA-N -1 3 319.292 3.632 20 5 DHBDHM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000820285115 598192052 /nfs/dbraw/zinc/19/20/52/598192052.db2.gz QALPCMFOZFAIHZ-INIZCTEOSA-N -1 3 314.341 3.534 20 5 DHBDHM O=C([N-]c1c(F)cccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127873114 1016938861 /nfs/dbraw/zinc/93/88/61/1016938861.db2.gz NTCIXEFZRSFNKM-UHFFFAOYSA-N -1 3 312.659 3.779 20 5 DHBDHM COc1c([O-])ccc(CNc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000892310684 1017702045 /nfs/dbraw/zinc/70/20/45/1017702045.db2.gz OGAWCWNLLBYSIE-UHFFFAOYSA-N -1 3 302.330 3.538 20 5 DHBDHM O=[N+]([O-])c1cc(Cl)c(NCc2ncccc2[O-])c(Cl)c1 ZINC000343055210 1018046021 /nfs/dbraw/zinc/04/60/21/1018046021.db2.gz RWSYEPPDJYRONG-UHFFFAOYSA-N -1 3 314.128 3.614 20 5 DHBDHM O=[N+]([O-])c1cnc([N-]c2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000337008542 1032878198 /nfs/dbraw/zinc/87/81/98/1032878198.db2.gz CVVSKFRMYHXJAS-UHFFFAOYSA-N -1 3 321.749 3.634 20 5 DHBDHM Cc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1[O-] ZINC000179774920 1020442112 /nfs/dbraw/zinc/44/21/12/1020442112.db2.gz VYPGHLWOMOMYID-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)ccc1F ZINC000347949866 1020463842 /nfs/dbraw/zinc/46/38/42/1020463842.db2.gz BNDUVGLLVJKXFW-UHFFFAOYSA-N -1 3 322.267 3.524 20 5 DHBDHM COc1c([O-])ccc(CNc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000893286626 1022554147 /nfs/dbraw/zinc/55/41/47/1022554147.db2.gz VDKYCAWRNHLFSY-UHFFFAOYSA-N -1 3 314.341 3.799 20 5 DHBDHM O=c1ccnc(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[n-]1 ZINC000742220877 1022807492 /nfs/dbraw/zinc/80/74/92/1022807492.db2.gz BZFBMPNTNHSTQC-SOFGYWHQSA-N -1 3 309.281 3.521 20 5 DHBDHM CC(C)(C)c1cnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000601256580 1028047379 /nfs/dbraw/zinc/04/73/79/1028047379.db2.gz TXHYOLDKBQLCQZ-UHFFFAOYSA-N -1 3 323.349 3.740 20 5 DHBDHM Cc1ccc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c([O-])c1 ZINC001135566595 1028863932 /nfs/dbraw/zinc/86/39/32/1028863932.db2.gz MXJHEOZMFRGWNU-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1sccc1Cl ZINC000808012002 1033794745 /nfs/dbraw/zinc/79/47/45/1033794745.db2.gz HVVMQWFKYNBJHR-UHFFFAOYSA-N -1 3 300.698 3.701 20 5 DHBDHM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccn1 ZINC001174503075 1034461983 /nfs/dbraw/zinc/46/19/83/1034461983.db2.gz BOPHTSHBQUKWAZ-UHFFFAOYSA-N -1 3 315.329 3.729 20 5 DHBDHM Cc1cc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801530 1037341681 /nfs/dbraw/zinc/34/16/81/1037341681.db2.gz TVVPKXBMAAYPPQ-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM COc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc2ccccc21 ZINC001199828899 1037345831 /nfs/dbraw/zinc/34/58/31/1037345831.db2.gz YBVQLTCEOHXXFN-UHFFFAOYSA-N -1 3 311.297 3.601 20 5 DHBDHM CC(C)OC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222417 1037581198 /nfs/dbraw/zinc/58/11/98/1037581198.db2.gz OHNHAIKQLRIWEU-UHFFFAOYSA-N -1 3 316.313 3.609 20 5 DHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1conc1C ZINC000603096290 1038811322 /nfs/dbraw/zinc/81/13/22/1038811322.db2.gz WCRXQTLMWFRNNN-UHFFFAOYSA-N -1 3 321.358 3.646 20 5 DHBDHM CCC[C@H](CCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147087 1040316790 /nfs/dbraw/zinc/31/67/90/1040316790.db2.gz RZUBOGFEZWJOHH-CQSZACIVSA-N -1 3 315.373 3.909 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596203075 1040331665 /nfs/dbraw/zinc/33/16/65/1040331665.db2.gz KUDWMCHASUIDQB-ZIAGYGMSSA-N -1 3 313.357 3.519 20 5 DHBDHM CC1(C)[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000596263135 1040366597 /nfs/dbraw/zinc/36/65/97/1040366597.db2.gz BYGGPEIUEIVRAZ-JSGCOSHPSA-N -1 3 313.357 3.547 20 5 DHBDHM O=[N+]([O-])c1c(NCc2ccc([O-])c(F)c2)ccc2ncccc21 ZINC000150923214 332456825 /nfs/dbraw/zinc/45/68/25/332456825.db2.gz WZLSTJUZANQNCY-UHFFFAOYSA-N -1 3 313.288 3.600 20 5 DHBDHM CCc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1[N+](=O)[O-] ZINC000436533604 338275548 /nfs/dbraw/zinc/27/55/48/338275548.db2.gz MKJXRHLQHSUESW-UHFFFAOYSA-N -1 3 311.297 3.580 20 5 DHBDHM Cc1ccc([O-])c(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC000436899160 338292465 /nfs/dbraw/zinc/29/24/65/338292465.db2.gz BUTHFEHIFDJXFC-UHFFFAOYSA-N -1 3 311.297 3.634 20 5 DHBDHM Cc1cccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1[O-] ZINC000436902095 338292759 /nfs/dbraw/zinc/29/27/59/338292759.db2.gz IWLUYKNNLUUXMG-UHFFFAOYSA-N -1 3 311.297 3.634 20 5 DHBDHM CC(C)(C)c1nc(C=Cc2csc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC000470255825 339315328 /nfs/dbraw/zinc/31/53/28/339315328.db2.gz RPUMYRYMDSWNNX-SNAWJCMRSA-N -1 3 305.359 3.620 20 5 DHBDHM CCC(CC)c1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)on1 ZINC000470695086 339325155 /nfs/dbraw/zinc/32/51/55/339325155.db2.gz UZBCOEAJMMTKSC-UHFFFAOYSA-N -1 3 321.308 3.878 20 5 DHBDHM Cc1noc(C(C)C)c1C(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1F ZINC000282550511 1019321626 /nfs/dbraw/zinc/32/16/26/1019321626.db2.gz XDWQTFZMTBWFQL-UHFFFAOYSA-N -1 3 321.308 3.714 20 5 DHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cnoc1 ZINC000611468981 1019495810 /nfs/dbraw/zinc/49/58/10/1019495810.db2.gz DJBPDFSNALSCMO-UHFFFAOYSA-N -1 3 321.358 3.727 20 5 DHBDHM O=c1cc(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000806563978 1025923439 /nfs/dbraw/zinc/92/34/39/1025923439.db2.gz GNOGIKDWJZFJGS-KTAJNNJTSA-N -1 3 317.732 3.792 20 5 DHBDHM Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000486433367 1036251519 /nfs/dbraw/zinc/25/15/19/1036251519.db2.gz HDNWJIKNUNNWHC-UHFFFAOYSA-N -1 3 315.716 3.872 20 5 DHBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC001199828139 1037352044 /nfs/dbraw/zinc/35/20/44/1037352044.db2.gz BBDGMNUEXUKTML-UHFFFAOYSA-N -1 3 324.720 3.715 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2OC(F)(F)F)c1 ZINC001199828463 1037352876 /nfs/dbraw/zinc/35/28/76/1037352876.db2.gz JBROHLSIRMVPBA-UHFFFAOYSA-N -1 3 314.219 3.943 20 5 DHBDHM O=c1[n-]ccc(Oc2cnc3ccc(Cl)cc3c2)c1[N+](=O)[O-] ZINC001186422284 1037405916 /nfs/dbraw/zinc/40/59/16/1037405916.db2.gz MGERIQNWAGPWLP-UHFFFAOYSA-N -1 3 317.688 3.689 20 5 DHBDHM CC(=O)n1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201229084 1037572978 /nfs/dbraw/zinc/57/29/78/1037572978.db2.gz BPMKNZZJBMOEJD-UHFFFAOYSA-N -1 3 311.297 3.659 20 5 DHBDHM COc1cc(F)c(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229180 1037573566 /nfs/dbraw/zinc/57/35/66/1037573566.db2.gz GIYCGCWKOYLFFV-UHFFFAOYSA-N -1 3 312.684 3.845 20 5 DHBDHM CC(C)Oc1cccc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229344 1037574607 /nfs/dbraw/zinc/57/46/07/1037574607.db2.gz LXZINNBAVDBEBX-UHFFFAOYSA-N -1 3 306.293 3.970 20 5 DHBDHM CO[C@H]1CCOc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc21 ZINC001201229112 1037574870 /nfs/dbraw/zinc/57/48/70/1037574870.db2.gz CRFFJVFERJIZKG-HNNXBMFYSA-N -1 3 316.313 3.514 20 5 DHBDHM CCOC(=O)Nc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201224300 1037579472 /nfs/dbraw/zinc/57/94/72/1037579472.db2.gz LNCMZEDPZLWYCB-UHFFFAOYSA-N -1 3 317.301 3.612 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(O)cccc2C(F)(F)F)c1 ZINC001201224415 1037580266 /nfs/dbraw/zinc/58/02/66/1037580266.db2.gz NFPDMHRNUUEXEN-UHFFFAOYSA-N -1 3 314.219 3.768 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)c(F)cc2F)c1 ZINC001201221550 1037580968 /nfs/dbraw/zinc/58/09/68/1037580968.db2.gz AMMHWQVVVXFUOD-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM COc1cc(-c2nc3cc(C)ccc3s2)c([N+](=O)[O-])cc1[O-] ZINC000603836111 1039175762 /nfs/dbraw/zinc/17/57/62/1039175762.db2.gz OKUATWAIFPQSCD-UHFFFAOYSA-N -1 3 316.338 3.894 20 5 DHBDHM CCC(CC)c1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000006634690 181363228 /nfs/dbraw/zinc/36/32/28/181363228.db2.gz SVXBLYBZTDRHCY-UHFFFAOYSA-N -1 3 320.374 3.602 20 5 DHBDHM O=C([N-]c1ccsc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC000187814050 334273967 /nfs/dbraw/zinc/27/39/67/334273967.db2.gz ZLTZYJQLRNFGHU-UHFFFAOYSA-N -1 3 300.698 3.701 20 5 DHBDHM Cc1c([N-]c2nccc(C)c2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000301729226 336326034 /nfs/dbraw/zinc/32/60/34/336326034.db2.gz CFYIVKUUHOOBFN-UHFFFAOYSA-N -1 3 309.329 3.536 20 5 DHBDHM C[C@H]1C[C@H]1c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000376536448 337036165 /nfs/dbraw/zinc/03/61/65/337036165.db2.gz XKMMZQBYHRGIFH-JGVFFNPUSA-N -1 3 322.267 3.842 20 5 DHBDHM O=C([N-]c1cccc(F)c1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520761053 337389954 /nfs/dbraw/zinc/38/99/54/337389954.db2.gz ZYKVKAFSLFYYPK-UHFFFAOYSA-N -1 3 318.235 3.872 20 5 DHBDHM O=[N+]([O-])c1ccc2oc(-c3nc(-c4ccc([O-])cc4)no3)cc2c1 ZINC000436894307 338292403 /nfs/dbraw/zinc/29/24/03/338292403.db2.gz QMTXYGHVQYIOFI-UHFFFAOYSA-N -1 3 323.264 3.764 20 5 DHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1[O-] ZINC000184703638 340495285 /nfs/dbraw/zinc/49/52/85/340495285.db2.gz KTDKUVBHMDAXME-ZDUSSCGKSA-N -1 3 314.341 3.508 20 5 DHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000072506290 341087568 /nfs/dbraw/zinc/08/75/68/341087568.db2.gz ZTTVRIUREDBCKV-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM Cc1ccccc1C[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549613503 341299100 /nfs/dbraw/zinc/29/91/00/341299100.db2.gz KOJVHUBWHHWEKQ-AWEZNQCLSA-N -1 3 314.385 3.672 20 5 DHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000551062922 341330726 /nfs/dbraw/zinc/33/07/26/341330726.db2.gz ROVDQBFNKGORKC-DLBZAZTESA-N -1 3 312.369 3.726 20 5 DHBDHM CC(C)(C)c1ncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000339192295 519112059 /nfs/dbraw/zinc/11/20/59/519112059.db2.gz NJTATWLNXDICTA-UHFFFAOYSA-N -1 3 323.349 3.740 20 5 DHBDHM Cc1c([N-]c2nc(C)ccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000441949368 1014613376 /nfs/dbraw/zinc/61/33/76/1014613376.db2.gz RLYZGJPKACDWHG-UHFFFAOYSA-N -1 3 303.366 3.593 20 5 DHBDHM Cc1c(CO[N-]C(=O)CCC2CCCCC2)cccc1[N+](=O)[O-] ZINC000730100284 1019945843 /nfs/dbraw/zinc/94/58/43/1019945843.db2.gz JSTFGUXAVYKARA-UHFFFAOYSA-N -1 3 320.389 3.812 20 5 DHBDHM CCc1ccc(OC(=O)c2cc3ccsc3[n-]2)c([N+](=O)[O-])c1 ZINC000734737811 1020651001 /nfs/dbraw/zinc/65/10/01/1020651001.db2.gz RXKNYLMUQGMRMA-UHFFFAOYSA-N -1 3 316.338 3.919 20 5 DHBDHM Cc1ccccc1[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338959031 1022410195 /nfs/dbraw/zinc/41/01/95/1022410195.db2.gz XKQVHZPXHZDPAM-AWEZNQCLSA-N -1 3 312.369 3.598 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786030529 1023653101 /nfs/dbraw/zinc/65/31/01/1023653101.db2.gz ROKFKJUVKPYJKO-JTQLQIEISA-N -1 3 314.297 3.896 20 5 DHBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc2occc2[n-]1 ZINC000786033312 1023654314 /nfs/dbraw/zinc/65/43/14/1023654314.db2.gz ZIIOZRSQLWSBAL-UHFFFAOYSA-N -1 3 320.688 3.680 20 5 DHBDHM CC[C@H](C)n1nc([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1C ZINC000804596159 1025394000 /nfs/dbraw/zinc/39/40/00/1025394000.db2.gz WMXGXWCJZTZCII-VIFPVBQESA-N -1 3 319.321 3.723 20 5 DHBDHM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c([O-])c1C ZINC001135495207 1028804984 /nfs/dbraw/zinc/80/49/84/1028804984.db2.gz SZVLERGSXPOSOQ-UHFFFAOYSA-N -1 3 314.341 3.786 20 5 DHBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000928784971 1031381340 /nfs/dbraw/zinc/38/13/40/1031381340.db2.gz SDNPDRDVHQWULP-UHFFFAOYSA-N -1 3 323.736 3.920 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Cl)ccc2Cl)c1 ZINC001199818843 1037333265 /nfs/dbraw/zinc/33/32/65/1037333265.db2.gz FLBRBCVGUZFOBP-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM CCCCOc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccn1 ZINC001199818480 1037333311 /nfs/dbraw/zinc/33/33/11/1037333311.db2.gz BNYABDAJAGXOQP-UHFFFAOYSA-N -1 3 303.318 3.618 20 5 DHBDHM Cc1nccc(Br)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815309 1037345904 /nfs/dbraw/zinc/34/59/04/1037345904.db2.gz ZVAZQKDZGUXMQJ-UHFFFAOYSA-N -1 3 324.134 3.510 20 5 DHBDHM Cc1c(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c(C)c1N ZINC001201229077 1037573236 /nfs/dbraw/zinc/57/32/36/1037573236.db2.gz BNVHZTDVTFVSHI-UHFFFAOYSA-N -1 3 301.346 3.860 20 5 DHBDHM O=c1[n-]ccc(Nc2cccc(OC3CCCC3)c2)c1[N+](=O)[O-] ZINC000596070813 1040299736 /nfs/dbraw/zinc/29/97/36/1040299736.db2.gz GIAZNFPPJWGLMN-UHFFFAOYSA-N -1 3 315.329 3.760 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596203072 1040331803 /nfs/dbraw/zinc/33/18/03/1040331803.db2.gz KUDWMCHASUIDQB-KBPBESRZSA-N -1 3 313.357 3.519 20 5 DHBDHM O=c1[n-]ccc(N[C@H]2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596208617 1040337846 /nfs/dbraw/zinc/33/78/46/1040337846.db2.gz ZXRFFNASLPAJDT-KGLIPLIRSA-N -1 3 313.357 3.834 20 5 DHBDHM CC(C)(C)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000596212899 1040338000 /nfs/dbraw/zinc/33/80/00/1040338000.db2.gz NQPMUHNUUAFASR-GFCCVEGCSA-N -1 3 313.357 3.977 20 5 DHBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000611298029 435357440 /nfs/dbraw/zinc/35/74/40/435357440.db2.gz IGZAXRQSZHRBML-CYBMUJFWSA-N -1 3 323.356 3.848 20 5 DHBDHM CCc1cc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])ccc1F ZINC000352904549 336375708 /nfs/dbraw/zinc/37/57/08/336375708.db2.gz VHEYUNWFZGKCEI-UHFFFAOYSA-N -1 3 320.320 3.623 20 5 DHBDHM CC[C@H](C)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2C)on1 ZINC000131140857 337436468 /nfs/dbraw/zinc/43/64/68/337436468.db2.gz ZSLPRPWYXVWDEE-VIFPVBQESA-N -1 3 303.318 3.657 20 5 DHBDHM O=[N+]([O-])c1cccc(-c2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000435959192 338254241 /nfs/dbraw/zinc/25/42/41/338254241.db2.gz NAFWUHJVAMQUCT-BQYQJAHWSA-N -1 3 309.281 3.521 20 5 DHBDHM Cc1c([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cnn1C1CCCC1 ZINC000436431225 338272267 /nfs/dbraw/zinc/27/22/67/338272267.db2.gz REZMRWXLTOOJSD-UHFFFAOYSA-N -1 3 315.377 3.970 20 5 DHBDHM O=[N+]([O-])c1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770366 338286737 /nfs/dbraw/zinc/28/67/37/338286737.db2.gz QRPDVWTUBJEEAW-KMKOMSMNSA-N -1 3 309.281 3.521 20 5 DHBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn([C@@H](C)C3CC3)c2)n1 ZINC000489974470 339822739 /nfs/dbraw/zinc/82/27/39/339822739.db2.gz VEDNCDXWYSSOLX-NSHDSACASA-N -1 3 301.350 3.518 20 5 DHBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2F)c1 ZINC000338413716 521282189 /nfs/dbraw/zinc/28/21/89/521282189.db2.gz WAZOEIXQMDXCJZ-UHFFFAOYSA-N -1 3 322.267 3.524 20 5 DHBDHM O=C([N-]c1ccc2ccc(Cl)cc2n1)c1ccc([N+](=O)[O-])o1 ZINC000337188610 527296175 /nfs/dbraw/zinc/29/61/75/527296175.db2.gz QLUSUIZGCSORKR-UHFFFAOYSA-N -1 3 317.688 3.642 20 5 DHBDHM O=C([N-]c1scnc1-c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000102725934 527541327 /nfs/dbraw/zinc/54/13/27/527541327.db2.gz RQLKUDLGAWIQKO-UHFFFAOYSA-N -1 3 315.310 3.564 20 5 DHBDHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000050178639 1014102802 /nfs/dbraw/zinc/10/28/02/1014102802.db2.gz XSGLHLXCXGTZIU-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM COc1cc(CNc2ccc(C3CC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000611314553 1019445758 /nfs/dbraw/zinc/44/57/58/1019445758.db2.gz FZYPSUSZZHBPAU-UHFFFAOYSA-N -1 3 314.341 3.799 20 5 DHBDHM COc1cc(CNc2ccsc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000189528513 1021365026 /nfs/dbraw/zinc/36/50/26/1021365026.db2.gz MXRUCRNUQBXPQY-UHFFFAOYSA-N -1 3 314.750 3.636 20 5 DHBDHM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC000609743201 1022339816 /nfs/dbraw/zinc/33/98/16/1022339816.db2.gz FPQLUMLRBDPVRO-UHFFFAOYSA-N -1 3 320.732 3.823 20 5 DHBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC000786031030 1023654272 /nfs/dbraw/zinc/65/42/72/1023654272.db2.gz GXNLJFDAUFXCHL-VIFPVBQESA-N -1 3 300.270 3.587 20 5 DHBDHM O=C([N-]c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(Cl)cs1 ZINC000790654050 1024352143 /nfs/dbraw/zinc/35/21/43/1024352143.db2.gz ZMVIPWSSAHICOI-UHFFFAOYSA-N -1 3 318.141 3.610 20 5 DHBDHM COc1cc(CNc2ccc3ccoc3c2)c([N+](=O)[O-])cc1[O-] ZINC000443022554 1035750004 /nfs/dbraw/zinc/75/00/04/1035750004.db2.gz PYVOHJRRXJNZDN-UHFFFAOYSA-N -1 3 314.297 3.667 20 5 DHBDHM Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000174935700 1036870632 /nfs/dbraw/zinc/87/06/32/1036870632.db2.gz NMGFDCLUWIRQBT-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2[O-])c1 ZINC000174954421 1036890464 /nfs/dbraw/zinc/89/04/64/1036890464.db2.gz JPZFVJFHCUGYQT-UHFFFAOYSA-N -1 3 318.354 3.583 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(Cl)ccnc2Cl)c1 ZINC001199802273 1037345786 /nfs/dbraw/zinc/34/57/86/1037345786.db2.gz NMKYDUMSJKGDKV-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccsc2Br)c1 ZINC001199828492 1037351576 /nfs/dbraw/zinc/35/15/76/1037351576.db2.gz KAOYCGCSFFAFOB-UHFFFAOYSA-N -1 3 315.148 3.868 20 5 DHBDHM Cc1cc(=O)[nH]c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc12 ZINC001201224877 1037580321 /nfs/dbraw/zinc/58/03/21/1037580321.db2.gz UXZOWBYRMXKCKM-UHFFFAOYSA-N -1 3 311.297 3.606 20 5 DHBDHM COc1ccc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Cl ZINC001201222988 1037581709 /nfs/dbraw/zinc/58/17/09/1037581709.db2.gz UWTGNSBCBQSXLW-UHFFFAOYSA-N -1 3 312.684 3.845 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)ccc(Cl)c2F)c1 ZINC001201222580 1037582175 /nfs/dbraw/zinc/58/21/75/1037582175.db2.gz PCLIVINVCOXSSG-UHFFFAOYSA-N -1 3 300.648 3.976 20 5 DHBDHM O=c1[n-]ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000596058008 1040290811 /nfs/dbraw/zinc/29/08/11/1040290811.db2.gz FULYLKQSMIPYFP-CYBMUJFWSA-N -1 3 319.748 3.912 20 5 DHBDHM O=c1[n-]ccc(Nc2cccc(NC3CCCC3)c2)c1[N+](=O)[O-] ZINC000596130910 1040311135 /nfs/dbraw/zinc/31/11/35/1040311135.db2.gz HESFUKZYWAUHPG-UHFFFAOYSA-N -1 3 314.345 3.794 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000006215403 181320000 /nfs/dbraw/zinc/32/00/00/181320000.db2.gz IDMRLNDJFPADIL-UHFFFAOYSA-N -1 3 306.705 3.515 20 5 DHBDHM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H]3CCc4ccccc43)n2)cc1 ZINC000486417437 435599490 /nfs/dbraw/zinc/59/94/90/435599490.db2.gz IDEBMAUKTBIWMH-OAHLLOKOSA-N -1 3 322.324 3.744 20 5 DHBDHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561391493 332445437 /nfs/dbraw/zinc/44/54/37/332445437.db2.gz FFXWRWXEKQYRFI-SNVBAGLBSA-N -1 3 311.297 3.502 20 5 DHBDHM Cc1sc(C(=O)[N-]c2ccsc2Cl)cc1[N+](=O)[O-] ZINC000187855834 334285812 /nfs/dbraw/zinc/28/58/12/334285812.db2.gz YNLMZKVETXWFKA-UHFFFAOYSA-N -1 3 302.764 3.932 20 5 DHBDHM O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCc1ncccc1[O-] ZINC000343056521 334596107 /nfs/dbraw/zinc/59/61/07/334596107.db2.gz YBLNAPZOKJMLDW-UHFFFAOYSA-N -1 3 314.128 3.614 20 5 DHBDHM O=C([N-]c1ccc(-c2ccco2)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000347755093 335527185 /nfs/dbraw/zinc/52/71/85/335527185.db2.gz NLQDQPYYSIZMLG-UHFFFAOYSA-N -1 3 316.244 3.839 20 5 DHBDHM O=C([N-]c1cc(-c2ccccc2)on1)c1ccccc1[N+](=O)[O-] ZINC000173071163 337131947 /nfs/dbraw/zinc/13/19/47/337131947.db2.gz AQRHQIQRNDGEPH-UHFFFAOYSA-N -1 3 309.281 3.502 20 5 DHBDHM Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c([O-])c1C ZINC000436887742 338292058 /nfs/dbraw/zinc/29/20/58/338292058.db2.gz PFJFBPAKYQQXKC-UHFFFAOYSA-N -1 3 311.297 3.634 20 5 DHBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc([C@H](C)CC)no1 ZINC000464721225 339149897 /nfs/dbraw/zinc/14/98/97/339149897.db2.gz VYOKIGBHTDHQOY-SNVBAGLBSA-N -1 3 317.345 3.911 20 5 DHBDHM Cc1ccc([O-])c(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c1 ZINC000547103757 341196003 /nfs/dbraw/zinc/19/60/03/341196003.db2.gz QJCHFHBEYCIHLE-UHFFFAOYSA-N -1 3 311.297 3.634 20 5 DHBDHM O=C([N-]c1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000102740177 527207591 /nfs/dbraw/zinc/20/75/91/527207591.db2.gz YSWONQKQNKTLKG-UHFFFAOYSA-N -1 3 318.182 3.598 20 5 DHBDHM CCCc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2F)o1 ZINC000297752851 535494769 /nfs/dbraw/zinc/49/47/69/535494769.db2.gz LQFLKILSBZFJPR-UHFFFAOYSA-N -1 3 321.308 3.544 20 5 DHBDHM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC000833643750 605174038 /nfs/dbraw/zinc/17/40/38/605174038.db2.gz GAZWTSYCAWYQMW-ZDUSSCGKSA-N -1 3 320.370 3.595 20 5 DHBDHM Cc1c(CNCc2cccc([O-])c2Cl)cccc1[N+](=O)[O-] ZINC000328462962 1014107916 /nfs/dbraw/zinc/10/79/16/1014107916.db2.gz KMWICFIGVVWIDR-UHFFFAOYSA-N -1 3 306.749 3.552 20 5 DHBDHM CSc1ccncc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000610545729 1015415195 /nfs/dbraw/zinc/41/51/95/1015415195.db2.gz SRMMFLBXIROVGF-UHFFFAOYSA-N -1 3 323.761 3.617 20 5 DHBDHM CC1(C)CCCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000362166702 1032258398 /nfs/dbraw/zinc/25/83/98/1032258398.db2.gz ZCOCGWHKCCPKJI-UHFFFAOYSA-N -1 3 321.358 3.511 20 5 DHBDHM CC(=O)c1ccsc1[N-]C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC001274001850 1032667192 /nfs/dbraw/zinc/66/71/92/1032667192.db2.gz XBETTZBTWRCGBV-UHFFFAOYSA-N -1 3 322.317 3.559 20 5 DHBDHM COc1c([O-])ccc(CNc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000892309697 1017695926 /nfs/dbraw/zinc/69/59/26/1017695926.db2.gz JERIRNMVZOKNEV-UHFFFAOYSA-N -1 3 302.330 3.538 20 5 DHBDHM O=c1ccnc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]1 ZINC000742221257 1022808351 /nfs/dbraw/zinc/80/83/51/1022808351.db2.gz GWEPVSWYAJQDKX-VURMDHGXSA-N -1 3 309.281 3.521 20 5 DHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc([O-])cc1 ZINC000778742523 1029325843 /nfs/dbraw/zinc/32/58/43/1029325843.db2.gz MQPZFUDKKILAMH-NSHDSACASA-N -1 3 301.298 3.527 20 5 DHBDHM CCc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)oc1CC ZINC000122303578 1030644842 /nfs/dbraw/zinc/64/48/42/1030644842.db2.gz DCUMPYWJRZYKDN-UHFFFAOYSA-N -1 3 324.283 3.843 20 5 DHBDHM Cc1ccccc1[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559107290 1031127862 /nfs/dbraw/zinc/12/78/62/1031127862.db2.gz IHGBIYQNFSGAFI-GOSISDBHSA-N -1 3 312.369 3.946 20 5 DHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2cc(F)ccc2o1 ZINC000117578543 1033409562 /nfs/dbraw/zinc/40/95/62/1033409562.db2.gz AHXQLMXTNTUAQO-UHFFFAOYSA-N -1 3 318.235 3.872 20 5 DHBDHM CCCCn1ncc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000541005141 1036215685 /nfs/dbraw/zinc/21/56/85/1036215685.db2.gz OTBKFFNCIQCCSD-UHFFFAOYSA-N -1 3 303.366 3.655 20 5 DHBDHM CCc1c([N-]c2nc(C)ccc2[N+](=O)[O-])cnn1CCC(C)C ZINC001186089482 1037312807 /nfs/dbraw/zinc/31/28/07/1037312807.db2.gz SFHDANBWLHCTCV-UHFFFAOYSA-N -1 3 317.393 3.847 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(Cl)c2Cl)c1 ZINC001199819030 1037333110 /nfs/dbraw/zinc/33/31/10/1037333110.db2.gz JLHAKZRRCSQKPP-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)ncc2Cl)c1 ZINC001199815224 1037344328 /nfs/dbraw/zinc/34/43/28/1037344328.db2.gz WVECRDUINOEZBT-UHFFFAOYSA-N -1 3 300.101 3.746 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccc(F)cc3)no2)c1 ZINC001199814885 1037344368 /nfs/dbraw/zinc/34/43/68/1037344368.db2.gz PSVXIRMWAMUUGE-UHFFFAOYSA-N -1 3 315.260 3.838 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(-c3ccccn3)c2)c1 ZINC001199828589 1037352266 /nfs/dbraw/zinc/35/22/66/1037352266.db2.gz NTSHPMCHZBDFTQ-UHFFFAOYSA-N -1 3 308.297 3.501 20 5 DHBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc([O-])c1Cl ZINC000590366528 1038632334 /nfs/dbraw/zinc/63/23/34/1038632334.db2.gz FHESURWMWJICKS-UHFFFAOYSA-N -1 3 320.776 3.628 20 5 DHBDHM CC(C)(C)c1ccc2c(c1)CCN2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596104003 1040296884 /nfs/dbraw/zinc/29/68/84/1040296884.db2.gz ILJMUBPQWUADRT-UHFFFAOYSA-N -1 3 313.357 3.687 20 5 DHBDHM CC(C)c1ccc2c(c1)[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596210857 1040339361 /nfs/dbraw/zinc/33/93/61/1040339361.db2.gz XLJFUGPZBVIUCH-AWEZNQCLSA-N -1 3 313.357 3.918 20 5 DHBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000596226082 1040341844 /nfs/dbraw/zinc/34/18/44/1040341844.db2.gz UVOFGOMMFKVJQA-DGCLKSJQSA-N -1 3 317.320 3.583 20 5 DHBDHM Cc1nc(C(C)C)oc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000297726857 132030902 /nfs/dbraw/zinc/03/09/02/132030902.db2.gz JZHPGCSLJQPAHY-UHFFFAOYSA-N -1 3 321.308 3.714 20 5 DHBDHM C[C@@H]([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000486449135 435599076 /nfs/dbraw/zinc/59/90/76/435599076.db2.gz ILAXVROTLVNVHK-LLVKDONJSA-N -1 3 310.313 3.818 20 5 DHBDHM CC(C)(C)c1coc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000570643494 332790700 /nfs/dbraw/zinc/79/07/00/332790700.db2.gz XZNQGMMEVVPZIY-UHFFFAOYSA-N -1 3 323.736 3.786 20 5 DHBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccsc2Cl)c1 ZINC000187840777 334274510 /nfs/dbraw/zinc/27/45/10/334274510.db2.gz MKMONZPTOTUBHC-UHFFFAOYSA-N -1 3 312.734 3.571 20 5 DHBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000302489881 336359840 /nfs/dbraw/zinc/35/98/40/336359840.db2.gz ZPHRAAULOXRFLI-UHFFFAOYSA-N -1 3 315.720 3.573 20 5 DHBDHM Cc1c([N-]C(=O)c2c(F)ccc(F)c2F)cccc1[N+](=O)[O-] ZINC000120423527 336911896 /nfs/dbraw/zinc/91/18/96/336911896.db2.gz KCNWUVPBSJSZCH-UHFFFAOYSA-N -1 3 310.231 3.573 20 5 DHBDHM Cc1cc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000080297297 337669073 /nfs/dbraw/zinc/66/90/73/337669073.db2.gz DFZVVRKUXQAUIP-UHFFFAOYSA-N -1 3 324.340 3.649 20 5 DHBDHM O=[N+]([O-])c1ccc(/C=C/c2cc([O-])ccc2Br)nc1 ZINC000118946031 337852962 /nfs/dbraw/zinc/85/29/62/337852962.db2.gz SNXCQHJGTFFDFR-OWOJBTEDSA-N -1 3 321.130 3.628 20 5 DHBDHM CCCc1cc(=O)[n-]c(C(=Cc2cccc([N+](=O)[O-])c2)CC)n1 ZINC000435340699 338237611 /nfs/dbraw/zinc/23/76/11/338237611.db2.gz LUMNPZLTZJFZSD-LCYFTJDESA-N -1 3 313.357 3.581 20 5 DHBDHM CC(C)Cn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C(C)C ZINC000499642006 340042055 /nfs/dbraw/zinc/04/20/55/340042055.db2.gz QHYFLLPKGPKUEF-UHFFFAOYSA-N -1 3 303.366 3.709 20 5 DHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000551062928 341330642 /nfs/dbraw/zinc/33/06/42/341330642.db2.gz ROVDQBFNKGORKC-SJORKVTESA-N -1 3 312.369 3.726 20 5 DHBDHM CC(C)(C)c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001169733495 1022529014 /nfs/dbraw/zinc/52/90/14/1022529014.db2.gz WPLLTMJPBSIERD-UHFFFAOYSA-N -1 3 301.346 3.605 20 5 DHBDHM O=[N+]([O-])/C=C/c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001175899908 1035155236 /nfs/dbraw/zinc/15/52/36/1035155236.db2.gz CVJYNSUFAHCMEZ-CMDGGOBGSA-N -1 3 313.338 3.993 20 5 DHBDHM O=c1cc(Nc2ccc(C=C[N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC001175900696 1035156290 /nfs/dbraw/zinc/15/62/90/1035156290.db2.gz CZKKCYPWKLNRDJ-ZHACJKMWSA-N -1 3 322.324 3.569 20 5 DHBDHM O=C([N-]c1cscc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001288449937 1035772978 /nfs/dbraw/zinc/77/29/78/1035772978.db2.gz JBDHXXSCDDFVCO-UHFFFAOYSA-N -1 3 318.688 3.840 20 5 DHBDHM CCn1nc(-c2ccccc2)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818478 1037335256 /nfs/dbraw/zinc/33/52/56/1037335256.db2.gz BMVYGSBDLJHNRI-UHFFFAOYSA-N -1 3 324.340 3.927 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc3ccc(Cl)cc32)c1 ZINC001199801461 1037341481 /nfs/dbraw/zinc/34/14/81/1037341481.db2.gz FAVSJBTZBTUCRR-UHFFFAOYSA-N -1 3 315.716 3.668 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(F)c(F)c(Cl)c2F)c1 ZINC001199828290 1037350525 /nfs/dbraw/zinc/35/05/25/1037350525.db2.gz FPXKZHBNUGYFMJ-UHFFFAOYSA-N -1 3 319.626 3.510 20 5 DHBDHM CC(C)Oc1c(F)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229815 1037574681 /nfs/dbraw/zinc/57/46/81/1037574681.db2.gz TZJASBGXTBSOHZ-UHFFFAOYSA-N -1 3 306.293 3.970 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2OCC2CC2)c1 ZINC001201232718 1037574732 /nfs/dbraw/zinc/57/47/32/1037574732.db2.gz UKQOBVZOFZPBPQ-UHFFFAOYSA-N -1 3 300.314 3.833 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C3CCOCC3)cc2)c1 ZINC001201222888 1037581391 /nfs/dbraw/zinc/58/13/91/1037581391.db2.gz RJMFKUDISPRQMK-UHFFFAOYSA-N -1 3 314.341 3.938 20 5 DHBDHM Nc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC001201223205 1037581842 /nfs/dbraw/zinc/58/18/42/1037581842.db2.gz XJZQYHJQAKKUIJ-UHFFFAOYSA-N -1 3 313.235 3.645 20 5 DHBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OC(F)(F)F)cc2)c1 ZINC001201223149 1037581895 /nfs/dbraw/zinc/58/18/95/1037581895.db2.gz VDYJFEFNMWVMQE-UHFFFAOYSA-N -1 3 314.219 3.943 20 5 DHBDHM O=c1[n-]ccc(SCCCCc2ccccc2)c1[N+](=O)[O-] ZINC000596194843 1040329211 /nfs/dbraw/zinc/32/92/11/1040329211.db2.gz AOKHYFLQASQXML-UHFFFAOYSA-N -1 3 304.371 3.810 20 5 DHBDHM C[C@@H](C1CC1)n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000302458366 336359209 /nfs/dbraw/zinc/35/92/09/336359209.db2.gz UCKNLVPVHUFFNX-QMMMGPOBSA-N -1 3 307.741 3.554 20 5 DHBDHM C/C(=C/c1nc(-c2ccc([O-])cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000436819343 338288500 /nfs/dbraw/zinc/28/85/00/338288500.db2.gz HXDMHEXEGRNETC-KHPPLWFESA-N -1 3 323.308 3.911 20 5 DHBDHM C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436890042 338291871 /nfs/dbraw/zinc/29/18/71/338291871.db2.gz DHNXSZUDPXQUIZ-KHPPLWFESA-N -1 3 323.308 3.911 20 5 DHBDHM CSc1cccc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000184603542 340494260 /nfs/dbraw/zinc/49/42/60/340494260.db2.gz QRBDVIKZYJNUTO-UHFFFAOYSA-N -1 3 317.370 3.581 20 5 DHBDHM CC(C)Cc1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000339190664 519459058 /nfs/dbraw/zinc/45/90/58/519459058.db2.gz YDQVESQMYMBQSX-UHFFFAOYSA-N -1 3 323.349 3.641 20 5 DHBDHM