smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(-c2ccc([O-])c(F)c2)nc2cc3ccccc3cc12 ZINC000128656575 1021309917 /nfs/dbraw/zinc/30/99/17/1021309917.db2.gz BFGPCFDIBNPHPJ-UHFFFAOYSA-N -1 1 306.296 3.588 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[O-] ZINC000498551027 1021707420 /nfs/dbraw/zinc/70/74/20/1021707420.db2.gz YXLCKGUWNZPEGJ-UHFFFAOYSA-N -1 1 323.230 3.863 20 5 DHBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2sccc2c([O-])c1 ZINC000791289761 1024469360 /nfs/dbraw/zinc/46/93/60/1024469360.db2.gz IRLGKAFDOHTJBS-UHFFFAOYSA-N -1 1 314.322 3.767 20 5 DHBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc2ccccc2c1 ZINC000747733632 1027060002 /nfs/dbraw/zinc/06/00/02/1027060002.db2.gz MYVFRWCJOGEGQV-UHFFFAOYSA-N -1 1 309.325 3.743 20 5 DHBDMM Cc1ccc(N(CC(C)C)C(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000846298439 1031956075 /nfs/dbraw/zinc/95/60/75/1031956075.db2.gz FYNHFJQFVJYBII-UHFFFAOYSA-N -1 1 315.373 3.843 20 5 DHBDMM Cc1cccc(C2(NCc3cc([O-])ccc3[N+](=O)[O-])CCC2)c1 ZINC000592146949 1039141280 /nfs/dbraw/zinc/14/12/80/1039141280.db2.gz XATQKKPBSVWESC-UHFFFAOYSA-N -1 1 312.369 3.778 20 5 DHBDMM O=C(Nc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604058025 1039310157 /nfs/dbraw/zinc/31/01/57/1039310157.db2.gz NNHIZQUJLFIMNW-UHFFFAOYSA-N -1 1 307.309 3.842 20 5 DHBDMM Cc1ccccc1C1(NCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000593040796 1039369341 /nfs/dbraw/zinc/36/93/41/1039369341.db2.gz VFJJZAVDZOJXAE-UHFFFAOYSA-N -1 1 312.369 3.778 20 5 DHBDMM CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2Cl)cc1C ZINC000539393348 435550727 /nfs/dbraw/zinc/55/07/27/435550727.db2.gz PCQCEMZMVGDAQF-MRVPVSSYSA-N -1 1 309.757 3.863 20 5 DHBDMM Cc1nn(-c2ccccc2)cc1[N-]c1nc(C)ccc1[N+](=O)[O-] ZINC000358273962 336620785 /nfs/dbraw/zinc/62/07/85/336620785.db2.gz UHKCSYMJZKSCEM-UHFFFAOYSA-N -1 1 309.329 3.536 20 5 DHBDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000469047713 339278638 /nfs/dbraw/zinc/27/86/38/339278638.db2.gz UKJDJFGYYKFMIT-UHFFFAOYSA-N -1 1 320.370 3.519 20 5 DHBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000470445623 339319936 /nfs/dbraw/zinc/31/99/36/339319936.db2.gz LZRBMEGBBUIZHJ-SECBINFHSA-N -1 1 317.370 3.821 20 5 DHBDMM O=[N+]([O-])c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[O-] ZINC000261367118 1015307226 /nfs/dbraw/zinc/30/72/26/1015307226.db2.gz HETGVOYYLWDXFH-UHFFFAOYSA-N -1 1 323.230 3.863 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000339027419 1016798653 /nfs/dbraw/zinc/79/86/53/1016798653.db2.gz NOQUAWMUUHQDFB-LJQANCHMSA-N -1 1 324.380 3.952 20 5 DHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000800149524 1024714440 /nfs/dbraw/zinc/71/44/40/1024714440.db2.gz OVQPIQRAWGMYSU-UHFFFAOYSA-N -1 1 319.292 3.550 20 5 DHBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000928790698 1031386711 /nfs/dbraw/zinc/38/67/11/1031386711.db2.gz ONCAWICVRSKIPP-UHFFFAOYSA-N -1 1 323.736 3.920 20 5 DHBDMM Cc1nn(-c2ccccc2)c(C)c1[N-]c1ncc(C)cc1[N+](=O)[O-] ZINC000361262741 1031823252 /nfs/dbraw/zinc/82/32/52/1031823252.db2.gz OXMWQZDXOIXONB-UHFFFAOYSA-N -1 1 323.356 3.844 20 5 DHBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000339064194 1034207563 /nfs/dbraw/zinc/20/75/63/1034207563.db2.gz SRNSLEHAGFVRMI-MRXNPFEDSA-N -1 1 316.357 3.550 20 5 DHBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001175737286 1035097888 /nfs/dbraw/zinc/09/78/88/1035097888.db2.gz YNMSAQMRIXAPTG-UHFFFAOYSA-N -1 1 300.648 3.976 20 5 DHBDMM COc1ccc(C(C)=O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001201222454 1037579340 /nfs/dbraw/zinc/57/93/40/1037579340.db2.gz MEVWRMVBHQCSEO-UHFFFAOYSA-N -1 1 316.313 3.564 20 5 DHBDMM O=C([N-]c1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000588080171 1038227501 /nfs/dbraw/zinc/22/75/01/1038227501.db2.gz KUVGCPDISGOKTE-UHFFFAOYSA-N -1 1 315.310 3.564 20 5 DHBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC001192814482 1038702181 /nfs/dbraw/zinc/70/21/81/1038702181.db2.gz MMUKISZRPXJNFD-GFCCVEGCSA-N -1 1 312.369 3.640 20 5 DHBDMM O=C(Nc1ccccc1-c1cccs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604076706 1039320278 /nfs/dbraw/zinc/32/02/78/1039320278.db2.gz JLGMJNKLVLLCEK-UHFFFAOYSA-N -1 1 313.338 3.904 20 5 DHBDMM CCCOC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCCC1 ZINC000347320974 335489681 /nfs/dbraw/zinc/48/96/81/335489681.db2.gz JTZYSZBZNAFMHR-UHFFFAOYSA-N -1 1 320.349 3.559 20 5 DHBDMM CCCC[C@H](C)N(CCCC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000359423183 336672349 /nfs/dbraw/zinc/67/23/49/336672349.db2.gz PLRNEKJJBMJJME-LBPRGKRZSA-N -1 1 323.393 3.516 20 5 DHBDMM CSc1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1 ZINC000435683997 338245127 /nfs/dbraw/zinc/24/51/27/338245127.db2.gz RFRQRMDTSTVSHO-UHFFFAOYSA-N -1 1 301.327 3.566 20 5 DHBDMM O=[N+]([O-])c1ccc(/C=C\c2ccc([O-])c(Br)c2)nc1 ZINC000439509482 338372162 /nfs/dbraw/zinc/37/21/62/338372162.db2.gz DINPFOIBEKRJPC-IWQZZHSRSA-N -1 1 321.130 3.628 20 5 DHBDMM CCCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000488220263 339773601 /nfs/dbraw/zinc/77/36/01/339773601.db2.gz PJNVXDKORIJZOM-UHFFFAOYSA-N -1 1 323.736 3.617 20 5 DHBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ncc1Br ZINC001210393050 1013832209 /nfs/dbraw/zinc/83/22/09/1013832209.db2.gz VGVMHIAOKXNHRN-UHFFFAOYSA-N -1 1 324.134 3.510 20 5 DHBDMM Cc1c([N-]C(=O)c2ccc(C(F)F)o2)c(F)ccc1[N+](=O)[O-] ZINC001270145341 1012782943 /nfs/dbraw/zinc/78/29/43/1012782943.db2.gz VORWXWPYVDNDSO-UHFFFAOYSA-N -1 1 314.219 3.825 20 5 DHBDMM CC1=C(c2ccco2)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338953517 1022185541 /nfs/dbraw/zinc/18/55/41/1022185541.db2.gz DMDKOEZAQBJFPM-UHFFFAOYSA-N -1 1 314.341 3.573 20 5 DHBDMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000111667802 1022363329 /nfs/dbraw/zinc/36/33/29/1022363329.db2.gz VYTLENRPSSRKGI-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000319844586 1024827357 /nfs/dbraw/zinc/82/73/57/1024827357.db2.gz MKAPJKNXDNGVCR-SECBINFHSA-N -1 1 320.732 3.696 20 5 DHBDMM CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(F)c1C ZINC001225668127 1027236606 /nfs/dbraw/zinc/23/66/06/1027236606.db2.gz YXNDNIXHXLXALO-CYBMUJFWSA-N -1 1 306.293 3.673 20 5 DHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccoc1C(F)(F)F ZINC000812834142 1027437496 /nfs/dbraw/zinc/43/74/96/1027437496.db2.gz LTBUEKFUXHNCMO-UHFFFAOYSA-N -1 1 318.182 3.598 20 5 DHBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1[O-] ZINC000759698883 1027772767 /nfs/dbraw/zinc/77/27/67/1027772767.db2.gz VSPMYZZZDITGOE-BAQGIRSFSA-N -1 1 318.716 3.606 20 5 DHBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1[O-] ZINC000749394103 1031523360 /nfs/dbraw/zinc/52/33/60/1031523360.db2.gz IGCDAKIUIJEDJM-BAQGIRSFSA-N -1 1 318.716 3.606 20 5 DHBDMM O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604033421 1039301006 /nfs/dbraw/zinc/30/10/06/1039301006.db2.gz QVWYYMPYWSHXGM-UHFFFAOYSA-N -1 1 323.308 3.968 20 5 DHBDMM Cc1cc([N-]c2ncc([N+](=O)[O-])cc2Cl)nn1[C@@H](C)C1CC1 ZINC000542264665 435647301 /nfs/dbraw/zinc/64/73/01/435647301.db2.gz JMFTUEMMPPTBQW-VIFPVBQESA-N -1 1 321.768 3.863 20 5 DHBDMM Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000357509059 336588277 /nfs/dbraw/zinc/58/82/77/336588277.db2.gz LSUUXUYYTXNOJT-UHFFFAOYSA-N -1 1 322.324 3.546 20 5 DHBDMM CC(C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000358131144 336612646 /nfs/dbraw/zinc/61/26/46/336612646.db2.gz MPGKBUKXACIRKT-UHFFFAOYSA-N -1 1 323.736 3.616 20 5 DHBDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000436265990 338264265 /nfs/dbraw/zinc/26/42/65/338264265.db2.gz XQZGKQHLFIBKKV-VIFPVBQESA-N -1 1 317.370 3.821 20 5 DHBDMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000439761201 338377354 /nfs/dbraw/zinc/37/73/54/338377354.db2.gz ZBMXYWPNUDDKQL-UHFFFAOYSA-N -1 1 318.304 3.815 20 5 DHBDMM CC(C)c1nn(C)cc1[N-]c1nc2ccccc2cc1[N+](=O)[O-] ZINC000481074372 339594958 /nfs/dbraw/zinc/59/49/58/339594958.db2.gz DNQCJNKRSLOJAC-UHFFFAOYSA-N -1 1 311.345 3.744 20 5 DHBDMM CCc1nc(S[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000566498605 341560141 /nfs/dbraw/zinc/56/01/41/341560141.db2.gz KFTOURUNUXOJKG-SNVBAGLBSA-N -1 1 319.386 3.815 20 5 DHBDMM O=[N+]([O-])c1cc(Nc2ncc(Cl)cc2Cl)ccc1[O-] ZINC001210392451 1013830838 /nfs/dbraw/zinc/83/08/38/1013830838.db2.gz DLPDODUJBWYBLP-UHFFFAOYSA-N -1 1 300.101 3.746 20 5 DHBDMM CC(C)c1ccc2nc(-c3ccc([N+](=O)[O-])s3)[n-]c(=O)c2c1 ZINC000165077105 1012898749 /nfs/dbraw/zinc/89/87/49/1012898749.db2.gz VPWDXLWPXMQMRS-UHFFFAOYSA-N -1 1 315.354 3.683 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000563441298 1017197563 /nfs/dbraw/zinc/19/75/63/1017197563.db2.gz ZXRUQMDSCAWGLV-SNVBAGLBSA-N -1 1 305.359 3.561 20 5 DHBDMM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918618639 1021597746 /nfs/dbraw/zinc/59/77/46/1021597746.db2.gz RJDTXYGLCACXOS-UHFFFAOYSA-N -1 1 313.357 3.639 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN(CCc1ccccc1)C1CC1 ZINC000768252295 1022933641 /nfs/dbraw/zinc/93/36/41/1022933641.db2.gz ISWRDAQUEXKLBK-UHFFFAOYSA-N -1 1 312.369 3.508 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)[n-]1 ZINC000355589983 1025779062 /nfs/dbraw/zinc/77/90/62/1025779062.db2.gz FZBFBGPVANJHNL-UHFFFAOYSA-N -1 1 324.218 3.659 20 5 DHBDMM Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347388646 1031214589 /nfs/dbraw/zinc/21/45/89/1031214589.db2.gz XZMZRCBOKPJJLU-UHFFFAOYSA-N -1 1 313.235 3.502 20 5 DHBDMM O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000255379065 331736785 /nfs/dbraw/zinc/73/67/85/331736785.db2.gz VYDMSQOMUSQCLR-YVMONPNESA-N -1 1 318.716 3.606 20 5 DHBDMM C[C@@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000559144516 331981590 /nfs/dbraw/zinc/98/15/90/331981590.db2.gz PALOEGDJNZXQNX-GOSISDBHSA-N -1 1 312.369 3.642 20 5 DHBDMM CCCNc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000352316084 336212056 /nfs/dbraw/zinc/21/20/56/336212056.db2.gz RAYHTWRFLDUFCL-UHFFFAOYSA-N -1 1 322.752 3.651 20 5 DHBDMM O=[N+]([O-])c1ccsc1[N-]c1cnn(Cc2ccccc2)c1 ZINC000301934706 336338815 /nfs/dbraw/zinc/33/88/15/336338815.db2.gz OMYRQMLMJGYRQX-UHFFFAOYSA-N -1 1 300.343 3.645 20 5 DHBDMM CCCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000492234364 339894900 /nfs/dbraw/zinc/89/49/00/339894900.db2.gz MTTDCXURNPCCCG-UHFFFAOYSA-N -1 1 301.346 3.908 20 5 DHBDMM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000340690892 535014956 /nfs/dbraw/zinc/01/49/56/535014956.db2.gz JRQDLOCCZHCPRY-UHFFFAOYSA-N -1 1 323.736 3.616 20 5 DHBDMM CCC[C@@H](CC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862381 1024768797 /nfs/dbraw/zinc/76/87/97/1024768797.db2.gz NJVZHSHLRDGUMX-SSDOTTSWSA-N -1 1 308.256 3.672 20 5 DHBDMM CC(C)CC1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001307815125 1024891417 /nfs/dbraw/zinc/89/14/17/1024891417.db2.gz IZBGMEQQLLMDFM-UHFFFAOYSA-N -1 1 306.406 3.949 20 5 DHBDMM CCc1ccc(N(CC(C)C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000794123595 1025221834 /nfs/dbraw/zinc/22/18/34/1025221834.db2.gz VPIHFPZONATXRD-UHFFFAOYSA-N -1 1 315.373 3.788 20 5 DHBDMM O=C([N-]c1cscc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC001133070583 1027127273 /nfs/dbraw/zinc/12/72/73/1027127273.db2.gz CRIPFTZATYDTOY-UHFFFAOYSA-N -1 1 300.698 3.701 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000339027416 1033661875 /nfs/dbraw/zinc/66/18/75/1033661875.db2.gz NOQUAWMUUHQDFB-IBGZPJMESA-N -1 1 324.380 3.952 20 5 DHBDMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000463036303 339102124 /nfs/dbraw/zinc/10/21/24/339102124.db2.gz QRSKJDULOOSCDJ-JTQLQIEISA-N -1 1 319.386 3.896 20 5 DHBDMM O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000511475149 340328002 /nfs/dbraw/zinc/32/80/02/340328002.db2.gz OXUFXYUZYRADMF-UHFFFAOYSA-N -1 1 322.324 3.919 20 5 DHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000281856957 1016766963 /nfs/dbraw/zinc/76/69/63/1016766963.db2.gz BSACFPUSMMSXGG-UHFFFAOYSA-N -1 1 321.308 3.580 20 5 DHBDMM Cc1nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C1CC1 ZINC000601087880 1027981801 /nfs/dbraw/zinc/98/18/01/1027981801.db2.gz KATKPDXSBNFDBN-UHFFFAOYSA-N -1 1 317.370 3.569 20 5 DHBDMM Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000190907879 1035644731 /nfs/dbraw/zinc/64/47/31/1035644731.db2.gz JNOLBZKWEDFABG-UHFFFAOYSA-N -1 1 321.720 3.906 20 5 DHBDMM CC[C@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2Cl)cc1C ZINC000539393349 435551390 /nfs/dbraw/zinc/55/13/90/435551390.db2.gz PCQCEMZMVGDAQF-QMMMGPOBSA-N -1 1 309.757 3.863 20 5 DHBDMM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(Cl)c1 ZINC000111667468 334352900 /nfs/dbraw/zinc/35/29/00/334352900.db2.gz YUTHUPYVZOMUOW-QPJJXVBHSA-N -1 1 318.716 3.606 20 5 DHBDMM CCn1nc(C)c([N-]c2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC000352358009 336214067 /nfs/dbraw/zinc/21/40/67/336214067.db2.gz UXMYGYFDCQKBEH-UHFFFAOYSA-N -1 1 311.345 3.720 20 5 DHBDMM Cc1nn(-c2ccccc2)c(C)c1[N-]c1ncc([N+](=O)[O-])s1 ZINC000472355304 339370784 /nfs/dbraw/zinc/37/07/84/339370784.db2.gz WYDZGCYYDYRFBV-UHFFFAOYSA-N -1 1 315.358 3.597 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc4ccccc43)no2)[n-]1 ZINC000546313675 341162879 /nfs/dbraw/zinc/16/28/79/341162879.db2.gz NTWGJDQPKCEDFP-UHFFFAOYSA-N -1 1 320.308 3.717 20 5 DHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)c1 ZINC000338411149 521281219 /nfs/dbraw/zinc/28/12/19/521281219.db2.gz JVTOHKBRYGJNAW-UHFFFAOYSA-N -1 1 322.267 3.524 20 5 DHBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc2ccccc21 ZINC000519902536 1013623656 /nfs/dbraw/zinc/62/36/56/1013623656.db2.gz MOVHVZNARNKTAF-UHFFFAOYSA-N -1 1 309.325 3.743 20 5 DHBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000610296293 1013816059 /nfs/dbraw/zinc/81/60/59/1013816059.db2.gz OBCYGFRTOFRKCQ-UHFFFAOYSA-N -1 1 321.336 3.867 20 5 DHBDMM O=[N+]([O-])c1ccc(Nc2ccc(F)c(F)c2[O-])c(Cl)c1 ZINC001248612154 1032713940 /nfs/dbraw/zinc/71/39/40/1032713940.db2.gz XKHLZEXMUVIKFG-UHFFFAOYSA-N -1 1 300.648 3.976 20 5 DHBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(Cl)c1 ZINC000070333901 1019575599 /nfs/dbraw/zinc/57/55/99/1019575599.db2.gz JVXUUKCFRCTMMC-UHFFFAOYSA-N -1 1 307.693 3.598 20 5 DHBDMM O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917897616 1021387793 /nfs/dbraw/zinc/38/77/93/1021387793.db2.gz FSRMAMOHUBQMCX-UHFFFAOYSA-N -1 1 307.309 3.842 20 5 DHBDMM Cc1cc(C)cc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000565425886 1028586342 /nfs/dbraw/zinc/58/63/42/1028586342.db2.gz JFAPKVRZCRURKX-ZDUSSCGKSA-N -1 1 300.358 3.768 20 5 DHBDMM CCCC[C@@H](C)N(CCCC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000359423182 1030960359 /nfs/dbraw/zinc/96/03/59/1030960359.db2.gz PLRNEKJJBMJJME-GFCCVEGCSA-N -1 1 323.393 3.516 20 5 DHBDMM CCc1ccc(C(C)(C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000555420253 1034690444 /nfs/dbraw/zinc/69/04/44/1034690444.db2.gz GNHNZJQCRFCNBA-UHFFFAOYSA-N -1 1 314.385 3.888 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000484617701 1035375045 /nfs/dbraw/zinc/37/50/45/1035375045.db2.gz KNDKPVUKNJABEE-LLVKDONJSA-N -1 1 319.386 3.869 20 5 DHBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C(F)(F)F ZINC000340580171 132031455 /nfs/dbraw/zinc/03/14/55/132031455.db2.gz YZLDLYVGVKAOPR-UHFFFAOYSA-N -1 1 313.235 3.502 20 5 DHBDMM CCCc1cc(=O)[n-]c(S[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000463036304 333142097 /nfs/dbraw/zinc/14/20/97/333142097.db2.gz QRSKJDULOOSCDJ-SNVBAGLBSA-N -1 1 319.386 3.896 20 5 DHBDMM CC(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC000190350145 336263464 /nfs/dbraw/zinc/26/34/64/336263464.db2.gz QTAYGNDCAOWARX-UHFFFAOYSA-N -1 1 318.304 3.815 20 5 DHBDMM CC(C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1=CCCCC1 ZINC000584508909 337351722 /nfs/dbraw/zinc/35/17/22/337351722.db2.gz GOIDTRYMEXMJHJ-UHFFFAOYSA-N -1 1 302.334 3.751 20 5 DHBDMM Cc1ccc2nc(SCc3cc([O-])ccc3[N+](=O)[O-])[nH]c2c1 ZINC000436472983 338273365 /nfs/dbraw/zinc/27/33/65/338273365.db2.gz CUNFIVDQQRGBEL-UHFFFAOYSA-N -1 1 315.354 3.777 20 5 DHBDMM CC(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000465342983 339174589 /nfs/dbraw/zinc/17/45/89/339174589.db2.gz ORGRUTBVURHWGH-UHFFFAOYSA-N -1 1 317.345 3.600 20 5 DHBDMM CC(C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000502029090 340093533 /nfs/dbraw/zinc/09/35/33/340093533.db2.gz CHLPKNYYZOJKSA-UHFFFAOYSA-N -1 1 317.345 3.600 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4sccc4c3)no2)[n-]1 ZINC000547106242 341196144 /nfs/dbraw/zinc/19/61/44/341196144.db2.gz UHWWIZUSAYZCBJ-UHFFFAOYSA-N -1 1 312.310 3.855 20 5 DHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000175613784 341840204 /nfs/dbraw/zinc/84/02/04/341840204.db2.gz GKGQSCDYFBEKQV-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM CC(C)(C)c1csc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000875054314 1032791046 /nfs/dbraw/zinc/79/10/46/1032791046.db2.gz NNMMTWNNPALWLH-UHFFFAOYSA-N -1 1 323.349 3.740 20 5 DHBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc([O-])c1F ZINC000180019298 1020691427 /nfs/dbraw/zinc/69/14/27/1020691427.db2.gz NTLGAUQXTPXNMP-UHFFFAOYSA-N -1 1 318.304 3.617 20 5 DHBDMM CC[C@H](C)n1ncc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000790807927 1024370575 /nfs/dbraw/zinc/37/05/75/1024370575.db2.gz KDGFJWTWMYMBOU-VIFPVBQESA-N -1 1 319.321 3.723 20 5 DHBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1scnc1Cl ZINC000813242163 1027572337 /nfs/dbraw/zinc/57/23/37/1027572337.db2.gz LYRRDFGGEKVGFH-UHFFFAOYSA-N -1 1 318.141 3.610 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccccc2)CCCC1 ZINC000564473493 1028461839 /nfs/dbraw/zinc/46/18/39/1028461839.db2.gz KCFJVEYLPPDMDT-UHFFFAOYSA-N -1 1 312.369 3.860 20 5 DHBDMM Cc1cccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000553463230 1033705862 /nfs/dbraw/zinc/70/58/62/1033705862.db2.gz FTQCCLTWLJXODO-CYBMUJFWSA-N -1 1 300.358 3.768 20 5 DHBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC1CCCCC1 ZINC001234878883 1036401312 /nfs/dbraw/zinc/40/13/12/1036401312.db2.gz ZNPYHTZRRASGFP-UHFFFAOYSA-N -1 1 316.151 3.774 20 5 DHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1Cc2ccccc2-c2ccccc21 ZINC000604249016 1039416385 /nfs/dbraw/zinc/41/63/85/1039416385.db2.gz XHGLDUXQFWUJLJ-UHFFFAOYSA-N -1 1 319.320 3.750 20 5 DHBDMM CCc1onc(C)c1[N-]C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000275810753 130391308 /nfs/dbraw/zinc/39/13/08/130391308.db2.gz MHNVMZPCULDUIG-UHFFFAOYSA-N -1 1 323.736 3.668 20 5 DHBDMM O=C([N-]c1c(F)cccc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000514428352 333131530 /nfs/dbraw/zinc/13/15/30/333131530.db2.gz HWFHXTNWNNHRJQ-UHFFFAOYSA-N -1 1 318.235 3.872 20 5 DHBDMM Cc1sc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000067739063 337543928 /nfs/dbraw/zinc/54/39/28/337543928.db2.gz CPBDTPOAYGEYJX-UHFFFAOYSA-N -1 1 312.734 3.576 20 5 DHBDMM CCc1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)c([O-])c1 ZINC000436876269 338291245 /nfs/dbraw/zinc/29/12/45/338291245.db2.gz XVLQSAROCXYPSR-UHFFFAOYSA-N -1 1 317.326 3.641 20 5 DHBDMM Nc1ccc(Nc2cc(Cl)c(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001209935812 1013430286 /nfs/dbraw/zinc/43/02/86/1013430286.db2.gz QPDIJONZQIGTOL-UHFFFAOYSA-N -1 1 314.128 3.933 20 5 DHBDMM Cc1cc(Br)ncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393088 1013830693 /nfs/dbraw/zinc/83/06/93/1013830693.db2.gz NLSVVHQBHIHWJS-UHFFFAOYSA-N -1 1 324.134 3.510 20 5 DHBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(-c2ccncc2)cs1 ZINC001210949105 1014094783 /nfs/dbraw/zinc/09/47/83/1014094783.db2.gz GYEWIXMWGWBRGX-UHFFFAOYSA-N -1 1 316.317 3.996 20 5 DHBDMM CC(C)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001147974833 1032355034 /nfs/dbraw/zinc/35/50/34/1032355034.db2.gz SQJPAIBGRAULQY-UHFFFAOYSA-N -1 1 307.737 3.952 20 5 DHBDMM Cc1ccc2oc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc2c1 ZINC000445746710 1017961741 /nfs/dbraw/zinc/96/17/41/1017961741.db2.gz AYXWAJAOXUWKLF-UHFFFAOYSA-N -1 1 310.269 3.695 20 5 DHBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(Cl)c1 ZINC000255071056 1019271256 /nfs/dbraw/zinc/27/12/56/1019271256.db2.gz ZONUGVSSXUDUAU-BAQGIRSFSA-N -1 1 318.716 3.606 20 5 DHBDMM CC[C@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000763429480 1021582286 /nfs/dbraw/zinc/58/22/86/1021582286.db2.gz DUDWCVSVPBVUOY-KRWDZBQOSA-N -1 1 300.358 3.715 20 5 DHBDMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000319844587 1024825998 /nfs/dbraw/zinc/82/59/98/1024825998.db2.gz MKAPJKNXDNGVCR-VIFPVBQESA-N -1 1 320.732 3.696 20 5 DHBDMM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(Cl)c1 ZINC000353436804 1025065081 /nfs/dbraw/zinc/06/50/81/1025065081.db2.gz JIUNEFAEEUKXSQ-UHFFFAOYSA-N -1 1 323.736 3.616 20 5 DHBDMM c1n[n-]nc1-c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212800270 1025127898 /nfs/dbraw/zinc/12/78/98/1025127898.db2.gz ZSEUTBNYFYLKKA-UHFFFAOYSA-N -1 1 313.320 3.828 20 5 DHBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1nc(Cl)cs1 ZINC000813241984 1027578542 /nfs/dbraw/zinc/57/85/42/1027578542.db2.gz JOGLMLMJWDYNEE-UHFFFAOYSA-N -1 1 318.141 3.610 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000563441297 1028046743 /nfs/dbraw/zinc/04/67/43/1028046743.db2.gz ZXRUQMDSCAWGLV-JTQLQIEISA-N -1 1 305.359 3.561 20 5 DHBDMM O=[N+]([O-])c1cccc2c1CCN(Cc1cccc([O-])c1Cl)C2 ZINC000816512742 1028912586 /nfs/dbraw/zinc/91/25/86/1028912586.db2.gz SGOCIDULAIWOTD-UHFFFAOYSA-N -1 1 318.760 3.512 20 5 DHBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000906275073 1035875820 /nfs/dbraw/zinc/87/58/20/1035875820.db2.gz KPFSWURZFJKOMF-UHFFFAOYSA-N -1 1 323.736 3.920 20 5 DHBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1csc(C)c1 ZINC000592188075 1039169505 /nfs/dbraw/zinc/16/95/05/1039169505.db2.gz CGJMMQBPBYYVLT-CQSZACIVSA-N -1 1 306.387 3.911 20 5 DHBDMM COc1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cc(Cl)c1[O-] ZINC000531232976 333336689 /nfs/dbraw/zinc/33/66/89/333336689.db2.gz ZGTUISKZTVGKPH-NSCUHMNNSA-N -1 1 306.705 3.528 20 5 DHBDMM CCCCn1ncc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000301749495 336327542 /nfs/dbraw/zinc/32/75/42/336327542.db2.gz ACJIOCBDQNHKKC-UHFFFAOYSA-N -1 1 319.321 3.552 20 5 DHBDMM O=C([N-]c1cc(-c2ccccc2)on1)c1ccc([N+](=O)[O-])s1 ZINC000175860661 337148672 /nfs/dbraw/zinc/14/86/72/337148672.db2.gz GKSKFEKECLWQLC-UHFFFAOYSA-N -1 1 315.310 3.564 20 5 DHBDMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000436241470 338263109 /nfs/dbraw/zinc/26/31/09/338263109.db2.gz LPXDZWICSFZCQY-SECBINFHSA-N -1 1 305.359 3.506 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC=C(c2ccccc2)C1 ZINC000339166740 527371610 /nfs/dbraw/zinc/37/16/10/527371610.db2.gz FHQOTCRKMKZPDL-UHFFFAOYSA-N -1 1 310.353 3.590 20 5 DHBDMM CC(C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000521182461 1014660718 /nfs/dbraw/zinc/66/07/18/1014660718.db2.gz DUCBADKJJXYILU-UHFFFAOYSA-N -1 1 301.346 3.764 20 5 DHBDMM CC(C)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)on1 ZINC000813245923 1027579437 /nfs/dbraw/zinc/57/94/37/1027579437.db2.gz OXRMPMROJMJIDG-UHFFFAOYSA-N -1 1 309.709 3.612 20 5 DHBDMM O=c1ccn(-c2ccc(Nc3ccc(C=C[N+](=O)[O-])cc3)cc2)[n-]1 ZINC001175905889 1035157247 /nfs/dbraw/zinc/15/72/47/1035157247.db2.gz YRCLKEZEMIMAEQ-FMIVXFBMSA-N -1 1 322.324 3.569 20 5 DHBDMM COc1ccc(Nc2nc3c(cccc3[O-])s2)cc1[N+](=O)[O-] ZINC001176360390 1035256526 /nfs/dbraw/zinc/25/65/26/1035256526.db2.gz XJTLNPZTVUQEGR-UHFFFAOYSA-N -1 1 317.326 3.662 20 5 DHBDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1Cl ZINC000493555667 1037480656 /nfs/dbraw/zinc/48/06/56/1037480656.db2.gz NZRLSGWFVKSEMJ-RMKNXTFCSA-N -1 1 318.716 3.606 20 5 DHBDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000460441385 333088312 /nfs/dbraw/zinc/08/83/12/333088312.db2.gz WDAGURWUCBSIQK-UHFFFAOYSA-N -1 1 320.370 3.519 20 5 DHBDMM CC(C)CCn1ccc([N-]c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC000302055375 336345933 /nfs/dbraw/zinc/34/59/33/336345933.db2.gz YZSLNTIATTYHRS-UHFFFAOYSA-N -1 1 309.757 3.629 20 5 DHBDMM CCCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000362628892 336807058 /nfs/dbraw/zinc/80/70/58/336807058.db2.gz XFBSDFXIWDZFPL-UHFFFAOYSA-N -1 1 312.329 3.540 20 5 DHBDMM CC(C)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[n-]c(=O)c2c1 ZINC000057771885 337865029 /nfs/dbraw/zinc/86/50/29/337865029.db2.gz QWMIYGXBJITNRW-UHFFFAOYSA-N -1 1 309.325 3.622 20 5 DHBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000436265988 338264328 /nfs/dbraw/zinc/26/43/28/338264328.db2.gz XQZGKQHLFIBKKV-SECBINFHSA-N -1 1 317.370 3.821 20 5 DHBDMM CCCn1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C1CC1 ZINC000450643146 338695695 /nfs/dbraw/zinc/69/56/95/338695695.db2.gz QFLCGRQIIPSBTG-UHFFFAOYSA-N -1 1 321.768 3.871 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1 ZINC000484617715 339690782 /nfs/dbraw/zinc/69/07/82/339690782.db2.gz KNDKPVUKNJABEE-NSHDSACASA-N -1 1 319.386 3.869 20 5 DHBDMM Cc1ccc(Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC001213659948 1017819843 /nfs/dbraw/zinc/81/98/43/1017819843.db2.gz IOCCDONEMBMOMX-UHFFFAOYSA-N -1 1 324.134 3.510 20 5 DHBDMM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000173054390 1020260568 /nfs/dbraw/zinc/26/05/68/1020260568.db2.gz BSCRNXXRPPITET-UHFFFAOYSA-N -1 1 322.342 3.730 20 5 DHBDMM Cc1ccc([C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000569990518 1029296485 /nfs/dbraw/zinc/29/64/85/1029296485.db2.gz JMGXLBPZQMBXRG-QGZVFWFLSA-N -1 1 312.369 3.946 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2ccsc2)CC1 ZINC000339092020 1030801153 /nfs/dbraw/zinc/80/11/53/1030801153.db2.gz SDOLRIJTXDYGMM-UHFFFAOYSA-N -1 1 318.398 3.742 20 5 DHBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000928790842 1031386479 /nfs/dbraw/zinc/38/64/79/1031386479.db2.gz QYHMFGVQFGEUPW-UHFFFAOYSA-N -1 1 323.736 3.920 20 5 DHBDMM O=C(Nc1ncc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000360718182 1031535304 /nfs/dbraw/zinc/53/53/04/1031535304.db2.gz CCAZUIXHXNZGLT-UHFFFAOYSA-N -1 1 320.374 3.679 20 5 DHBDMM CC(C)c1csc2[n-]c(-c3ccc([N+](=O)[O-])s3)nc(=O)c12 ZINC000165078740 1038420379 /nfs/dbraw/zinc/42/03/79/1038420379.db2.gz OOOXSKWYIFTFDW-UHFFFAOYSA-N -1 1 321.383 3.745 20 5 DHBDMM O=C([N-]c1c(F)cccc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020298614 182203701 /nfs/dbraw/zinc/20/37/01/182203701.db2.gz ZZGPRGCFHMDRAR-UHFFFAOYSA-N -1 1 312.659 3.779 20 5 DHBDMM Cc1cc([N-]c2ncc([N+](=O)[O-])cc2Cl)nn1[C@H](C)C1CC1 ZINC000542264664 435647119 /nfs/dbraw/zinc/64/71/19/435647119.db2.gz JMFTUEMMPPTBQW-SECBINFHSA-N -1 1 321.768 3.863 20 5 DHBDMM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000020448641 336551178 /nfs/dbraw/zinc/55/11/78/336551178.db2.gz OPECZHHDUDSJEQ-UHFFFAOYSA-N -1 1 318.182 3.598 20 5 DHBDMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000436241471 338263040 /nfs/dbraw/zinc/26/30/40/338263040.db2.gz LPXDZWICSFZCQY-VIFPVBQESA-N -1 1 305.359 3.506 20 5 DHBDMM CCCCCN(CCCCC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444864981 1017705581 /nfs/dbraw/zinc/70/55/81/1017705581.db2.gz KWIVBAFYUWRONS-UHFFFAOYSA-N -1 1 323.393 3.518 20 5 DHBDMM O=C(OCc1ccc(C(F)F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000764552940 1018313185 /nfs/dbraw/zinc/31/31/85/1018313185.db2.gz BVIVXDBHCABJGT-UHFFFAOYSA-N -1 1 323.251 3.595 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2ccccc2)CC1 ZINC000611253781 1019419405 /nfs/dbraw/zinc/41/94/05/1019419405.db2.gz ZTLICUUAGHUETN-UHFFFAOYSA-N -1 1 312.369 3.680 20 5 DHBDMM CC[C@@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000763429481 1021585879 /nfs/dbraw/zinc/58/58/79/1021585879.db2.gz DUDWCVSVPBVUOY-QGZVFWFLSA-N -1 1 300.358 3.715 20 5 DHBDMM CC(=O)c1ccc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224717 1037581133 /nfs/dbraw/zinc/58/11/33/1037581133.db2.gz ROUWMYJEHRUTTR-UHFFFAOYSA-N -1 1 306.705 3.900 20 5 DHBDMM Cc1c2ccccc2oc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445507819 338497511 /nfs/dbraw/zinc/49/75/11/338497511.db2.gz WXAHZSOJCPJNHS-UHFFFAOYSA-N -1 1 310.269 3.695 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]1 ZINC000356093552 336535289 /nfs/dbraw/zinc/53/52/89/336535289.db2.gz SNENELUZNXICKQ-UHFFFAOYSA-N -1 1 324.218 3.659 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000445444529 337838869 /nfs/dbraw/zinc/83/88/69/337838869.db2.gz GODHTYZZLQJVSN-UHFFFAOYSA-N -1 1 323.717 3.732 20 5 DHBDMM CC(C)c1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000546327543 341163765 /nfs/dbraw/zinc/16/37/65/341163765.db2.gz XJAYLZIHPRATJV-UHFFFAOYSA-N -1 1 312.329 3.687 20 5 DHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(F)ccc1[O-] ZINC000477432668 1015282054 /nfs/dbraw/zinc/28/20/54/1015282054.db2.gz YUQMZSLNXLOJTM-UHFFFAOYSA-N -1 1 324.695 3.654 20 5 DHBDMM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1[N+](=O)[O-] ZINC000561324900 1018199175 /nfs/dbraw/zinc/19/91/75/1018199175.db2.gz FLRZJJNQJSGNGD-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM CC(C)Cc1csc2[n-]c(-c3ccc([N+](=O)[O-])o3)nc(=O)c12 ZINC000416409735 1022311566 /nfs/dbraw/zinc/31/15/66/1022311566.db2.gz CKNPEQFUFPEGNF-UHFFFAOYSA-N -1 1 319.342 3.764 20 5 DHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c([O-])cccc1Cl ZINC000574945494 1027439723 /nfs/dbraw/zinc/43/97/23/1027439723.db2.gz LIACAXFOFKNFJN-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM CC(F)(F)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000567088950 1028835010 /nfs/dbraw/zinc/83/50/10/1028835010.db2.gz CLHJZHGQOWCIGJ-UHFFFAOYSA-N -1 1 320.255 3.752 20 5 DHBDMM Cc1c(NC(=O)Nc2ccc([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC000190920248 1029212984 /nfs/dbraw/zinc/21/29/84/1029212984.db2.gz CIOLIDZEXKKADP-UHFFFAOYSA-N -1 1 321.720 3.906 20 5 DHBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000928789281 1031383744 /nfs/dbraw/zinc/38/37/44/1031383744.db2.gz NAARLKKATGSYEI-UHFFFAOYSA-N -1 1 309.347 3.637 20 5 DHBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000339064392 1034212462 /nfs/dbraw/zinc/21/24/62/1034212462.db2.gz ZPTLBJUVLYPLKJ-MRXNPFEDSA-N -1 1 300.358 3.850 20 5 DHBDMM CC(=O)c1cccc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201231202 1037573906 /nfs/dbraw/zinc/57/39/06/1037573906.db2.gz FXYKAQIVQNAFAS-UHFFFAOYSA-N -1 1 306.705 3.900 20 5 DHBDMM Cc1c(CSc2nc(C3CC3)cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000470443464 339319916 /nfs/dbraw/zinc/31/99/16/339319916.db2.gz HKIJMGIOEQWBSQ-UHFFFAOYSA-N -1 1 317.370 3.569 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000610787897 1015787265 /nfs/dbraw/zinc/78/72/65/1015787265.db2.gz HAXKLSSSRFPRSR-KRWDZBQOSA-N -1 1 312.369 3.931 20 5 DHBDMM O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(Cl)c1 ZINC000070333895 1019575622 /nfs/dbraw/zinc/57/56/22/1019575622.db2.gz CKNMOKHWQPWYTP-UHFFFAOYSA-N -1 1 307.693 3.598 20 5 DHBDMM Cc1cc(F)c([N-]C(=O)c2cc(C(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000282561583 1020457611 /nfs/dbraw/zinc/45/76/11/1020457611.db2.gz YEUULSUGGYLGRN-UHFFFAOYSA-N -1 1 321.308 3.580 20 5 DHBDMM C[C@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000559144519 1031134642 /nfs/dbraw/zinc/13/46/42/1031134642.db2.gz PALOEGDJNZXQNX-SFHVURJKSA-N -1 1 312.369 3.642 20 5 DHBDMM Cc1cccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000553463231 1033704566 /nfs/dbraw/zinc/70/45/66/1033704566.db2.gz FTQCCLTWLJXODO-ZDUSSCGKSA-N -1 1 300.358 3.768 20 5 DHBDMM O=[N+]([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001203581513 1036727181 /nfs/dbraw/zinc/72/71/81/1036727181.db2.gz ZSVJWWDKGHJDRO-UHFFFAOYSA-N -1 1 300.101 3.746 20 5 DHBDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1Cl ZINC000493555669 1037480205 /nfs/dbraw/zinc/48/02/05/1037480205.db2.gz NZRLSGWFVKSEMJ-TWGQIWQCSA-N -1 1 318.716 3.606 20 5 DHBDMM Cc1[nH]c2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc2c1C ZINC000356184109 336539761 /nfs/dbraw/zinc/53/97/61/336539761.db2.gz CHAAUHLFEYYJME-UHFFFAOYSA-N -1 1 323.312 3.738 20 5 DHBDMM CCc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000436834728 338289102 /nfs/dbraw/zinc/28/91/02/338289102.db2.gz ADFDARDGZKDCJK-UHFFFAOYSA-N -1 1 311.297 3.580 20 5 DHBDMM CCC(CC)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)on1 ZINC000610173309 1011956035 /nfs/dbraw/zinc/95/60/35/1011956035.db2.gz BGWALTQATCGKMX-UHFFFAOYSA-N -1 1 321.308 3.878 20 5 DHBDMM O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(Cl)c1 ZINC000255376232 1019416244 /nfs/dbraw/zinc/41/62/44/1019416244.db2.gz YUTHUPYVZOMUOW-DAXSKMNVSA-N -1 1 318.716 3.606 20 5 DHBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000070333833 1019576153 /nfs/dbraw/zinc/57/61/53/1019576153.db2.gz MCFGAVQMOYQQIG-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918014251 1021417345 /nfs/dbraw/zinc/41/73/45/1021417345.db2.gz OZUKIPZVSYHIIT-UHFFFAOYSA-N -1 1 322.324 3.919 20 5 DHBDMM CCc1nc(S[C@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000563440275 1028045069 /nfs/dbraw/zinc/04/50/69/1028045069.db2.gz PQKXNHDWKAVWAQ-SNVBAGLBSA-N -1 1 319.386 3.815 20 5 DHBDMM CC(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001135504974 1028801590 /nfs/dbraw/zinc/80/15/90/1028801590.db2.gz UAILRXXIYKOWMQ-UHFFFAOYSA-N -1 1 300.314 3.676 20 5 DHBDMM CC(=O)c1c(F)cc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223560 1037581651 /nfs/dbraw/zinc/58/16/51/1037581651.db2.gz ARPRYNGYRKBYFG-UHFFFAOYSA-N -1 1 308.240 3.525 20 5 DHBDMM CCOc1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cc(Cl)c1[O-] ZINC000439510408 338372115 /nfs/dbraw/zinc/37/21/15/338372115.db2.gz GREOSXRCCAORDE-ONEGZZNKSA-N -1 1 320.732 3.918 20 5 DHBDMM CN(Cc1cccc([O-])c1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000507245407 340215346 /nfs/dbraw/zinc/21/53/46/340215346.db2.gz ZWYFUIDWOUNSHG-UHFFFAOYSA-N -1 1 306.749 3.586 20 5 DHBDMM Cc1cnc(Br)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210392719 1013830414 /nfs/dbraw/zinc/83/04/14/1013830414.db2.gz IHOYMARRKMOMCZ-UHFFFAOYSA-N -1 1 324.134 3.510 20 5 DHBDMM Cc1ccc([C@@H](C)NCc2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000902394202 980868842 /nfs/dbraw/zinc/86/88/42/980868842.db2.gz DRNGIJHMLMMFAZ-SNVBAGLBSA-N -1 1 320.370 3.514 20 5 DHBDMM O=C(Nc1ccccc1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515786307 1012721428 /nfs/dbraw/zinc/72/14/28/1012721428.db2.gz NQHXBKDGVQOPAE-UHFFFAOYSA-N -1 1 321.336 3.766 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1cccs1)C1CC1 ZINC000339067400 1034329693 /nfs/dbraw/zinc/32/96/93/1034329693.db2.gz XRTDDWIATMLDKI-OAHLLOKOSA-N -1 1 304.371 3.603 20 5 DHBDMM Cc1ccc(C2(NCc3cc([O-])ccc3[N+](=O)[O-])CCC2)cc1 ZINC000592187145 1039170029 /nfs/dbraw/zinc/17/00/29/1039170029.db2.gz HLYPRZPIEPXQQQ-UHFFFAOYSA-N -1 1 312.369 3.778 20 5 DHBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1C(F)(F)F ZINC000351666090 336056135 /nfs/dbraw/zinc/05/61/35/336056135.db2.gz USNMZIBRMABPFH-UHFFFAOYSA-N -1 1 313.235 3.502 20 5 DHBDMM Cc1nn(-c2ccccc2)cc1[N-]c1nccc(C)c1[N+](=O)[O-] ZINC000358266043 336620366 /nfs/dbraw/zinc/62/03/66/336620366.db2.gz MOUHMHXEWPOGQS-UHFFFAOYSA-N -1 1 309.329 3.536 20 5 DHBDMM Cc1nc(S[C@@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000537415339 337934141 /nfs/dbraw/zinc/93/41/41/337934141.db2.gz MKGMQDIJEOXWDP-JTQLQIEISA-N -1 1 305.359 3.561 20 5 DHBDMM Cc1ccc([C@H](C)NCc2csc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000902394201 980868467 /nfs/dbraw/zinc/86/84/67/980868467.db2.gz DRNGIJHMLMMFAZ-JTQLQIEISA-N -1 1 320.370 3.514 20 5 DHBDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1[O-] ZINC000075285126 1018417690 /nfs/dbraw/zinc/41/76/90/1018417690.db2.gz IGCDAKIUIJEDJM-FPYGCLRLSA-N -1 1 318.716 3.606 20 5 DHBDMM CCc1nc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000566498604 1028735743 /nfs/dbraw/zinc/73/57/43/1028735743.db2.gz KFTOURUNUXOJKG-JTQLQIEISA-N -1 1 319.386 3.815 20 5 DHBDMM Cc1cccc(C(C)(C)NCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000570538266 1029381052 /nfs/dbraw/zinc/38/10/52/1029381052.db2.gz ZTGBSZMVMQPBSS-UHFFFAOYSA-N -1 1 300.358 3.634 20 5 DHBDMM CC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC001201229354 1037575003 /nfs/dbraw/zinc/57/50/03/1037575003.db2.gz MHISBVZGINUZNA-UHFFFAOYSA-N -1 1 306.705 3.900 20 5 DHBDMM O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427186351 332182479 /nfs/dbraw/zinc/18/24/79/332182479.db2.gz MJAHSHHKGSOBSS-UHFFFAOYSA-N -1 1 318.091 3.621 20 5 DHBDMM Cc1ccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000436906298 338292911 /nfs/dbraw/zinc/29/29/11/338292911.db2.gz VPQKOQJKMMVRHP-UHFFFAOYSA-N -1 1 311.297 3.634 20 5 DHBDMM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2cccc(Cl)c21 ZINC000499963814 340047867 /nfs/dbraw/zinc/04/78/67/340047867.db2.gz OPSLXITZIPVVIL-UHFFFAOYSA-N -1 1 319.748 3.514 20 5 DHBDMM Cc1cc(Cl)cc(NC(=O)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000175839291 1014326283 /nfs/dbraw/zinc/32/62/83/1014326283.db2.gz IJRMIBZZKINSIQ-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2occc2s1 ZINC000735996172 1020785040 /nfs/dbraw/zinc/78/50/40/1020785040.db2.gz FMYVGJCQCUGLAB-UHFFFAOYSA-N -1 1 324.264 3.933 20 5 DHBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(C(F)(F)F)c1 ZINC000617171510 1022875090 /nfs/dbraw/zinc/87/50/90/1022875090.db2.gz OCTUYGGPBRYIAH-UHFFFAOYSA-N -1 1 313.235 3.502 20 5 DHBDMM CSc1cc(F)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001130088376 1025538539 /nfs/dbraw/zinc/53/85/39/1025538539.db2.gz QALWBAHTXDPZCP-UHFFFAOYSA-N -1 1 312.347 3.770 20 5 DHBDMM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604033162 1039302255 /nfs/dbraw/zinc/30/22/55/1039302255.db2.gz XXLXGSRFQOTKBZ-UHFFFAOYSA-N -1 1 323.308 3.968 20 5 DHBDMM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc(Cl)c1 ZINC000456804521 1040927271 /nfs/dbraw/zinc/92/72/71/1040927271.db2.gz VLDUYWUMFYJZMD-UHFFFAOYSA-N -1 1 321.764 3.879 20 5 DHBDMM Cc1ccccc1C(C)(C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000559326505 332026991 /nfs/dbraw/zinc/02/69/91/332026991.db2.gz VOJHJYAGFYWUDT-UHFFFAOYSA-N -1 1 300.358 3.634 20 5 DHBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1-c1ccccc1 ZINC000358115453 336612128 /nfs/dbraw/zinc/61/21/28/336612128.db2.gz CGFXYKZOFKTUQG-UHFFFAOYSA-N -1 1 322.324 3.546 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([O-])ccc1Cl ZINC000431246187 338126665 /nfs/dbraw/zinc/12/66/65/338126665.db2.gz IJCUIEXPARRLHQ-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc([O-])ccc1Cl ZINC000431255323 338126767 /nfs/dbraw/zinc/12/67/67/338126767.db2.gz LRSZCTDPZCQWEB-UHFFFAOYSA-N -1 1 320.732 3.823 20 5 DHBDMM CCc1noc(C)c1[N-]C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438942144 338356718 /nfs/dbraw/zinc/35/67/18/338356718.db2.gz ONJHCKRJKDMDGZ-UHFFFAOYSA-N -1 1 323.736 3.668 20 5 DHBDMM O=C([N-]c1cc(Cl)cc(F)c1F)c1ccc([N+](=O)[O-])s1 ZINC000441585875 338417259 /nfs/dbraw/zinc/41/72/59/338417259.db2.gz MXEUMGASJKUEOY-UHFFFAOYSA-N -1 1 318.688 3.840 20 5 DHBDMM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000466589019 339209931 /nfs/dbraw/zinc/20/99/31/339209931.db2.gz YHCKZZQZJSFIFN-UHFFFAOYSA-N -1 1 319.075 3.886 20 5 DHBDMM CC(C)(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000470280590 339315950 /nfs/dbraw/zinc/31/59/50/339315950.db2.gz PPQWZVTVTAZTMI-LBPRGKRZSA-N -1 1 313.357 3.713 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc4ccccc43)no2)[n-]1 ZINC000504854256 340153871 /nfs/dbraw/zinc/15/38/71/340153871.db2.gz UISMGZFIVKAMPY-UHFFFAOYSA-N -1 1 306.281 3.793 20 5 DHBDMM Cc1ccc(Cl)cc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000545692531 341136582 /nfs/dbraw/zinc/13/65/82/341136582.db2.gz NSAKTJTUGBBOTM-UHFFFAOYSA-N -1 1 304.693 3.602 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4ccccc4c3)no2)[n-]1 ZINC000573726752 341737202 /nfs/dbraw/zinc/73/72/02/341737202.db2.gz NSFGJXOTOGBIIQ-UHFFFAOYSA-N -1 1 306.281 3.793 20 5 DHBDMM CSc1ccncc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610543845 1015394826 /nfs/dbraw/zinc/39/48/26/1015394826.db2.gz CCRIZOLLPCYXSB-UHFFFAOYSA-N -1 1 323.761 3.617 20 5 DHBDMM Cc1nc([N-]c2ccccc2[N+](=O)[O-])nc(C)c1Br ZINC001206139990 1032792098 /nfs/dbraw/zinc/79/20/98/1032792098.db2.gz DACCZKJEJIGAOX-UHFFFAOYSA-N -1 1 323.150 3.508 20 5 DHBDMM O=C(Nc1ccccc1Nc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000611479296 1019499998 /nfs/dbraw/zinc/49/99/98/1019499998.db2.gz ZMNBJLLVRUBQRN-UHFFFAOYSA-N -1 1 322.324 3.919 20 5 DHBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585767821 1024605053 /nfs/dbraw/zinc/60/50/53/1024605053.db2.gz FRDSEQOZGWYUAU-UHFFFAOYSA-N -1 1 300.358 3.668 20 5 DHBDMM CCCn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000354401284 1025421800 /nfs/dbraw/zinc/42/18/00/1025421800.db2.gz MDFDSDZDTMBFGK-UHFFFAOYSA-N -1 1 312.329 3.540 20 5 DHBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000339064391 1034213135 /nfs/dbraw/zinc/21/31/35/1034213135.db2.gz ZPTLBJUVLYPLKJ-INIZCTEOSA-N -1 1 300.358 3.850 20 5 DHBDMM CCC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339064332 1034213427 /nfs/dbraw/zinc/21/34/27/1034213427.db2.gz UWHPRMFHYVYTER-MRXNPFEDSA-N -1 1 300.358 3.931 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1cccs1)C1CC1 ZINC000339067398 1034329760 /nfs/dbraw/zinc/32/97/60/1034329760.db2.gz XRTDDWIATMLDKI-HNNXBMFYSA-N -1 1 304.371 3.603 20 5 DHBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1csc(C)c1 ZINC000592188073 1039168116 /nfs/dbraw/zinc/16/81/16/1039168116.db2.gz CGJMMQBPBYYVLT-AWEZNQCLSA-N -1 1 306.387 3.911 20 5 DHBDMM CC(C)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000594382776 1040708046 /nfs/dbraw/zinc/70/80/46/1040708046.db2.gz MTXAFIUIOZFSDC-UHFFFAOYSA-N -1 1 317.345 3.600 20 5 DHBDMM O=C(Nc1cccc(-c2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000557951652 331828016 /nfs/dbraw/zinc/82/80/16/331828016.db2.gz NEPFSHCYWMVDBX-UHFFFAOYSA-N -1 1 307.309 3.842 20 5 DHBDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111665884 334352744 /nfs/dbraw/zinc/35/27/44/334352744.db2.gz ZONUGVSSXUDUAU-FPYGCLRLSA-N -1 1 318.716 3.606 20 5 DHBDMM O=[N+]([O-])c1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445451040 338016175 /nfs/dbraw/zinc/01/61/75/338016175.db2.gz ZTYZDPJEISUVQL-UHFFFAOYSA-N -1 1 317.688 3.671 20 5 DHBDMM Nc1cccc2c3ccccc3n(-c3ccc([O-])c([N+](=O)[O-])c3)c21 ZINC001210399273 1013834118 /nfs/dbraw/zinc/83/41/18/1013834118.db2.gz PGKKVQQGUZPSFN-UHFFFAOYSA-N -1 1 319.320 3.980 20 5 DHBDMM Cc1cc(Cl)cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1[O-] ZINC000179803523 1022546700 /nfs/dbraw/zinc/54/67/00/1022546700.db2.gz YBVZDHSEGLGTDE-UHFFFAOYSA-N -1 1 324.695 3.654 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000778840816 1027272080 /nfs/dbraw/zinc/27/20/80/1027272080.db2.gz IFLCMLDPVRQBNJ-JTQLQIEISA-N -1 1 319.288 3.666 20 5 DHBDMM Cc1cc(C)cc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000565425862 1028586283 /nfs/dbraw/zinc/58/62/83/1028586283.db2.gz JFAPKVRZCRURKX-CYBMUJFWSA-N -1 1 300.358 3.768 20 5 DHBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000906275332 1035876046 /nfs/dbraw/zinc/87/60/46/1035876046.db2.gz VSHXFBAVLRHKNT-UHFFFAOYSA-N -1 1 321.308 3.714 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccccc1)C1CCC1 ZINC000571889864 337581217 /nfs/dbraw/zinc/58/12/17/337581217.db2.gz HSSGQECMKZUSAD-GOSISDBHSA-N -1 1 312.369 3.931 20 5 DHBDMM CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000500856161 340068573 /nfs/dbraw/zinc/06/85/73/340068573.db2.gz PIPVJYFVVXBSSP-UHFFFAOYSA-N -1 1 313.357 3.641 20 5 DHBDMM CSc1ccc(Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531880996 1024423635 /nfs/dbraw/zinc/42/36/35/1024423635.db2.gz FCAZGFSEMZCXBQ-UHFFFAOYSA-N -1 1 323.761 3.617 20 5 DHBDMM Cc1c([N-]C(=O)c2c(F)cccc2F)c(F)ccc1[N+](=O)[O-] ZINC000800151951 1024716465 /nfs/dbraw/zinc/71/64/65/1024716465.db2.gz UVUWIXYXGRQZJV-UHFFFAOYSA-N -1 1 310.231 3.573 20 5 DHBDMM CC(C)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000519873492 335903775 /nfs/dbraw/zinc/90/37/75/335903775.db2.gz YIWUPPDZTSTQMX-UHFFFAOYSA-N -1 1 301.346 3.764 20 5 DHBDMM CC(C)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000500474082 340059944 /nfs/dbraw/zinc/05/99/44/340059944.db2.gz CMXLJEGLLAUGSM-KRWDZBQOSA-N -1 1 318.348 3.926 20 5 DHBDMM Cc1cccc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000507132323 340208804 /nfs/dbraw/zinc/20/88/04/340208804.db2.gz QSGPJCQALWOIHA-KRWDZBQOSA-N -1 1 312.369 3.946 20 5 DHBDMM Cc1nc(Br)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392454 1013829649 /nfs/dbraw/zinc/82/96/49/1013829649.db2.gz DNTFOSJUASIULN-UHFFFAOYSA-N -1 1 324.134 3.510 20 5 DHBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(Cl)cnc1Cl ZINC001210952255 1014096891 /nfs/dbraw/zinc/09/68/91/1014096891.db2.gz CZAPTCUZDXJBPS-UHFFFAOYSA-N -1 1 303.080 3.574 20 5 DHBDMM CC(C)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000553548214 1020358141 /nfs/dbraw/zinc/35/81/41/1020358141.db2.gz HDBDHRJPJYUAFX-KRWDZBQOSA-N -1 1 300.358 3.787 20 5 DHBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1-c1ccncc1 ZINC000341338138 1022093066 /nfs/dbraw/zinc/09/30/66/1022093066.db2.gz AVJYTLOBCGJTLI-UHFFFAOYSA-N -1 1 322.324 3.546 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000778840817 1027271278 /nfs/dbraw/zinc/27/12/78/1027271278.db2.gz IFLCMLDPVRQBNJ-SNVBAGLBSA-N -1 1 319.288 3.666 20 5 DHBDMM O=c1[n-]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2cccc(F)c12 ZINC000729688175 1030520285 /nfs/dbraw/zinc/52/02/85/1030520285.db2.gz ZCGNGTOSEYBMIR-UHFFFAOYSA-N -1 1 319.679 3.703 20 5 DHBDMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1[N+](=O)[O-] ZINC001176364054 1035258070 /nfs/dbraw/zinc/25/80/70/1035258070.db2.gz XAFPGIDAGUBJDQ-UHFFFAOYSA-N -1 1 312.684 3.845 20 5 DHBDMM O=C([N-]c1c(F)cccc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149549205 1036362982 /nfs/dbraw/zinc/36/29/82/1036362982.db2.gz HCIZIODUXCAXRW-UHFFFAOYSA-N -1 1 312.659 3.779 20 5 DHBDMM Cc1nn(-c2ccccc2)c(C)c1[N-]c1ncccc1[N+](=O)[O-] ZINC000253604313 334916469 /nfs/dbraw/zinc/91/64/69/334916469.db2.gz YGIMHRAQAMETFN-UHFFFAOYSA-N -1 1 309.329 3.536 20 5 DHBDMM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc([O-])c(Cl)c1 ZINC000436702092 338283350 /nfs/dbraw/zinc/28/33/50/338283350.db2.gz GQTHTRKFNNAODF-UHFFFAOYSA-N -1 1 303.705 3.508 20 5 DHBDMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1[N+](=O)[O-] ZINC000153466836 341541241 /nfs/dbraw/zinc/54/12/41/341541241.db2.gz SPQSNKPOUACRIV-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM CCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000175006204 1022281010 /nfs/dbraw/zinc/28/10/10/1022281010.db2.gz ZALXJLFSHVFULH-UHFFFAOYSA-N -1 1 320.732 3.769 20 5 DHBDMM CC(C)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000615258335 1022437994 /nfs/dbraw/zinc/43/79/94/1022437994.db2.gz QXQSFQWEVNXAQV-UHFFFAOYSA-N -1 1 318.304 3.815 20 5 DHBDMM Cn1cc([N-]c2ncc([N+](=O)[O-])cc2F)c(C2CCCCC2)n1 ZINC000413332308 1026817796 /nfs/dbraw/zinc/81/77/96/1026817796.db2.gz QDKXGHLHMDCZRZ-UHFFFAOYSA-N -1 1 319.340 3.654 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190908051 1029208508 /nfs/dbraw/zinc/20/85/08/1029208508.db2.gz YSYVTZXAEXJMDN-UHFFFAOYSA-N -1 1 321.720 3.906 20 5 DHBDMM O=[N+]([O-])c1ccc(F)c(Nc2nc3c(cccc3[O-])s2)c1 ZINC001175734651 1035096476 /nfs/dbraw/zinc/09/64/76/1035096476.db2.gz MMLFZLSFUMZZMA-UHFFFAOYSA-N -1 1 305.290 3.793 20 5 DHBDMM CC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001201229814 1037572630 /nfs/dbraw/zinc/57/26/30/1037572630.db2.gz TZGROFWCWCGTBR-UHFFFAOYSA-N -1 1 306.705 3.900 20 5 DHBDMM O=C1CCCCc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201224689 1037581115 /nfs/dbraw/zinc/58/11/15/1037581115.db2.gz PZOXETICIQLXAQ-UHFFFAOYSA-N -1 1 312.325 3.953 20 5 DHBDMM O=C(Nc1ccc(-c2ccco2)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000347757424 335527176 /nfs/dbraw/zinc/52/71/76/335527176.db2.gz WJNKKJFCMXCUMJ-UHFFFAOYSA-N -1 1 315.260 3.574 20 5 DHBDMM CC(C)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000351928931 336180279 /nfs/dbraw/zinc/18/02/79/336180279.db2.gz ICUWAYJKQVNMBZ-UHFFFAOYSA-N -1 1 305.359 3.676 20 5 DHBDMM CCSc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000426595380 338035456 /nfs/dbraw/zinc/03/54/56/338035456.db2.gz JTQVZCVUDYVCRA-UHFFFAOYSA-N -1 1 316.342 3.752 20 5 DHBDMM COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436559748 338277161 /nfs/dbraw/zinc/27/71/61/338277161.db2.gz YXZWMKNWOYRXOS-UHFFFAOYSA-N -1 1 319.704 3.506 20 5 DHBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000549343009 341291756 /nfs/dbraw/zinc/29/17/56/341291756.db2.gz QWBJNQKWGRDTDP-SFHVURJKSA-N -1 1 312.369 3.810 20 5 DHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000875674582 1032875399 /nfs/dbraw/zinc/87/53/99/1032875399.db2.gz KEUKRKQZXGUVRF-UHFFFAOYSA-N -1 1 321.308 3.580 20 5 DHBDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000468518159 1021122220 /nfs/dbraw/zinc/12/22/20/1021122220.db2.gz RITAQOTZBGTTJU-UHFFFAOYSA-N -1 1 320.370 3.519 20 5 DHBDMM CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cccc(F)c1C ZINC001225668132 1027238130 /nfs/dbraw/zinc/23/81/30/1027238130.db2.gz YXNDNIXHXLXALO-ZDUSSCGKSA-N -1 1 306.293 3.673 20 5 DHBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000906275070 1035876711 /nfs/dbraw/zinc/87/67/11/1035876711.db2.gz KFDWDCWTBUYHNE-UHFFFAOYSA-N -1 1 323.736 3.920 20 5 DHBDMM O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604056900 1039313088 /nfs/dbraw/zinc/31/30/88/1039313088.db2.gz ISBQUHRHOPIHLY-UHFFFAOYSA-N -1 1 323.308 3.968 20 5 DHBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000185113958 337203249 /nfs/dbraw/zinc/20/32/49/337203249.db2.gz FYSOUFWZJDVADY-UHFFFAOYSA-N -1 1 323.308 3.811 20 5 DHBDMM CC(C)c1ccc2nc(-c3cccc([N+](=O)[O-])c3)[n-]c(=O)c2c1 ZINC000057771903 337865037 /nfs/dbraw/zinc/86/50/37/337865037.db2.gz YCMLOZMSHUJZCX-UHFFFAOYSA-N -1 1 309.325 3.622 20 5 DHBDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000470445624 339319943 /nfs/dbraw/zinc/31/99/43/339319943.db2.gz LZRBMEGBBUIZHJ-VIFPVBQESA-N -1 1 317.370 3.821 20 5 DHBDMM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(Cl)cc1 ZINC000475500501 339452969 /nfs/dbraw/zinc/45/29/69/339452969.db2.gz CKFOVXLZRXEYHX-UHFFFAOYSA-N -1 1 321.764 3.879 20 5 DHBDMM O=[N+]([O-])c1cc(Nc2cc(-c3cccnc3)ccn2)ccc1[O-] ZINC001210393049 1013832347 /nfs/dbraw/zinc/83/23/47/1013832347.db2.gz VCVVOGJJSSZQPG-UHFFFAOYSA-N -1 1 308.297 3.501 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445446534 1017865421 /nfs/dbraw/zinc/86/54/21/1017865421.db2.gz DXLQILAKWNWOCQ-UHFFFAOYSA-N -1 1 317.688 3.671 20 5 DHBDMM O=c1cc[n-]c(OC2c3ccccc3-c3ccccc32)c1[N+](=O)[O-] ZINC001225666104 1027231716 /nfs/dbraw/zinc/23/17/16/1027231716.db2.gz GFWONLMOMBOUHF-UHFFFAOYSA-N -1 1 320.304 3.844 20 5 DHBDMM O=[N+]([O-])c1c([O-])ccnc1OC1c2ccccc2-c2ccccc21 ZINC001225666104 1027231737 /nfs/dbraw/zinc/23/17/37/1027231737.db2.gz GFWONLMOMBOUHF-UHFFFAOYSA-N -1 1 320.304 3.844 20 5 DHBDMM CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000490428217 1037708206 /nfs/dbraw/zinc/70/82/06/1037708206.db2.gz GEXDZPVPVKQTRS-UHFFFAOYSA-N -1 1 323.736 3.617 20 5 DHBDMM Cc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000063803380 184289128 /nfs/dbraw/zinc/28/91/28/184289128.db2.gz TUFREIHGPQZYKZ-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM Cc1nc(S[C@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000537415346 337934185 /nfs/dbraw/zinc/93/41/85/337934185.db2.gz MKGMQDIJEOXWDP-SNVBAGLBSA-N -1 1 305.359 3.561 20 5 DHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000511620008 340332636 /nfs/dbraw/zinc/33/26/36/340332636.db2.gz HZRKDEHEIPRHSM-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000156699125 341625232 /nfs/dbraw/zinc/62/52/32/341625232.db2.gz KDGDFZXYYYJPAZ-UHFFFAOYSA-N -1 1 321.720 3.674 20 5 DHBDMM CSc1cccc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000184607334 1014213038 /nfs/dbraw/zinc/21/30/38/1014213038.db2.gz QADHLFLIBADEOX-UHFFFAOYSA-N -1 1 308.384 3.939 20 5 DHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000175836040 1014328018 /nfs/dbraw/zinc/32/80/18/1014328018.db2.gz GJRPTOHGLLBQNS-UHFFFAOYSA-N -1 1 320.732 3.823 20 5 DHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153446242 1017210791 /nfs/dbraw/zinc/21/07/91/1017210791.db2.gz CPWTYMILWJVDDW-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM CCc1nc(SCc2cccc([N+](=O)[O-])c2C)[n-]c(=O)c1C ZINC000516980792 1012881112 /nfs/dbraw/zinc/88/11/12/1012881112.db2.gz CHJFRQWZWUKEBJ-UHFFFAOYSA-N -1 1 319.386 3.562 20 5 DHBDMM CCSc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000445766820 1017965164 /nfs/dbraw/zinc/96/51/64/1017965164.db2.gz MNKASJJWEYWWIC-UHFFFAOYSA-N -1 1 316.342 3.752 20 5 DHBDMM Cc1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1F ZINC000766313668 1021538217 /nfs/dbraw/zinc/53/82/17/1021538217.db2.gz WEFZJOMGNVLOQE-UHFFFAOYSA-N -1 1 310.231 3.573 20 5 DHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1sccc1Cl ZINC000808070206 1026191680 /nfs/dbraw/zinc/19/16/80/1026191680.db2.gz KAPRXZVGIFBFEJ-UHFFFAOYSA-N -1 1 318.688 3.840 20 5 DHBDMM Cc1ncc(-c2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000342163232 334518509 /nfs/dbraw/zinc/51/85/09/334518509.db2.gz GMSIBAUFEPMZGX-UHFFFAOYSA-N -1 1 322.324 3.546 20 5 DHBDMM CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000345028398 335293117 /nfs/dbraw/zinc/29/31/17/335293117.db2.gz LEPATUTZXMOVQK-UHFFFAOYSA-N -1 1 323.736 3.616 20 5 DHBDMM CSCc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356588317 336555293 /nfs/dbraw/zinc/55/52/93/336555293.db2.gz AAHHMUPFRFZMNX-UHFFFAOYSA-N -1 1 316.342 3.503 20 5 DHBDMM CCCN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000505612494 340173031 /nfs/dbraw/zinc/17/30/31/340173031.db2.gz SCDJHBOXSPLKGM-UHFFFAOYSA-N -1 1 300.358 3.713 20 5 DHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(Cc1ccccc1)c1ccccc1 ZINC000521113971 340480625 /nfs/dbraw/zinc/48/06/25/340480625.db2.gz LCDKVCCARFFUNJ-UHFFFAOYSA-N -1 1 321.336 3.770 20 5 DHBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc2c(cccc2O)s1 ZINC001210950512 1014095646 /nfs/dbraw/zinc/09/56/46/1014095646.db2.gz XIOARZJNHNEHKM-UHFFFAOYSA-N -1 1 305.290 3.793 20 5 DHBDMM CC[C@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001597349726 987487909 /nfs/dbraw/zinc/48/79/09/987487909.db2.gz UPBMFQVHAPJFEM-GWCFXTLKSA-N -1 1 318.329 3.688 20 5 DHBDMM CSc1cc(C)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001129952818 1025470670 /nfs/dbraw/zinc/47/06/70/1025470670.db2.gz MMWFNKVEXJGANK-UHFFFAOYSA-N -1 1 308.384 3.939 20 5 DHBDMM Cc1nc(SCc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C1CC1 ZINC000601088565 1027980365 /nfs/dbraw/zinc/98/03/65/1027980365.db2.gz TXMAYXNTJQWDRA-UHFFFAOYSA-N -1 1 317.370 3.569 20 5 DHBDMM Cc1nc(SCc2csc([N+](=O)[O-])c2)[n-]c(=O)c1C1CC1 ZINC000601087844 1027980450 /nfs/dbraw/zinc/98/04/50/1027980450.db2.gz JBNBXUFKDJZTIO-UHFFFAOYSA-N -1 1 323.399 3.630 20 5 DHBDMM Cc1ccc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000569990517 1029298280 /nfs/dbraw/zinc/29/82/80/1029298280.db2.gz JMGXLBPZQMBXRG-KRWDZBQOSA-N -1 1 312.369 3.946 20 5 DHBDMM CN(CCc1ccc(Cl)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559095252 1031119637 /nfs/dbraw/zinc/11/96/37/1031119637.db2.gz WCVQXZHDWCSILZ-UHFFFAOYSA-N -1 1 320.776 3.628 20 5 DHBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000928789308 1031384025 /nfs/dbraw/zinc/38/40/25/1031384025.db2.gz JYQOHZRCILXNHN-UHFFFAOYSA-N -1 1 323.736 3.920 20 5 DHBDMM CC(C)N(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000429720889 338088207 /nfs/dbraw/zinc/08/82/07/338088207.db2.gz WKDSPRVSXXPUES-UHFFFAOYSA-N -1 1 300.358 3.711 20 5 DHBDMM CC(C)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000500474083 340059987 /nfs/dbraw/zinc/05/99/87/340059987.db2.gz CMXLJEGLLAUGSM-QGZVFWFLSA-N -1 1 318.348 3.926 20 5 DHBDMM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000235894666 340661824 /nfs/dbraw/zinc/66/18/24/340661824.db2.gz HYCSTOYGVIXIGT-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM Cc1cccc(C)c1[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000555427993 341482820 /nfs/dbraw/zinc/48/28/20/341482820.db2.gz ZSPQQFWWASCOKM-ZDUSSCGKSA-N -1 1 300.358 3.768 20 5 DHBDMM Cc1cc(Cl)cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1[O-] ZINC000175840007 341848085 /nfs/dbraw/zinc/84/80/85/341848085.db2.gz LHQPKULCPCBCEQ-UHFFFAOYSA-N -1 1 320.732 3.823 20 5 DHBDMM CC[C@H](N[C@H](C)c1ccc(C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001597349727 987487892 /nfs/dbraw/zinc/48/78/92/987487892.db2.gz UPBMFQVHAPJFEM-MFKMUULPSA-N -1 1 318.329 3.688 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CC1CC1)c1ccccc1 ZINC000610787898 1015786570 /nfs/dbraw/zinc/78/65/70/1015786570.db2.gz HAXKLSSSRFPRSR-QGZVFWFLSA-N -1 1 312.369 3.931 20 5 DHBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001171632830 1032798712 /nfs/dbraw/zinc/79/87/12/1032798712.db2.gz RTSSLWMVGYJIEZ-UHFFFAOYSA-N -1 1 318.304 3.617 20 5 DHBDMM Cc1ccccc1[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000581872741 1020917238 /nfs/dbraw/zinc/91/72/38/1020917238.db2.gz INBBIAHXXWRUJT-GOSISDBHSA-N -1 1 312.369 3.850 20 5 DHBDMM Cc1nc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000538516847 1033084302 /nfs/dbraw/zinc/08/43/02/1033084302.db2.gz TYKSTTBRMJZTGA-JTQLQIEISA-N -1 1 305.359 3.561 20 5 DHBDMM CCC[C@H](CC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862418 1024768033 /nfs/dbraw/zinc/76/80/33/1024768033.db2.gz NJVZHSHLRDGUMX-ZETCQYMHSA-N -1 1 308.256 3.672 20 5 DHBDMM CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000492147344 1036764536 /nfs/dbraw/zinc/76/45/36/1036764536.db2.gz AQFXANOPFYXOHD-UHFFFAOYSA-N -1 1 317.345 3.663 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000571889865 1038262235 /nfs/dbraw/zinc/26/22/35/1038262235.db2.gz HSSGQECMKZUSAD-SFHVURJKSA-N -1 1 312.369 3.931 20 5 DHBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(Cl)c1 ZINC000122279649 337913563 /nfs/dbraw/zinc/91/35/63/337913563.db2.gz VAOLDMHDDVKABX-UHFFFAOYSA-N -1 1 320.732 3.525 20 5 DHBDMM CSc1ccc2nc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC000436976118 338296475 /nfs/dbraw/zinc/29/64/75/338296475.db2.gz ARQYOAQFSBVZBB-UHFFFAOYSA-N -1 1 301.327 3.566 20 5 DHBDMM Cc1cccc([C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000507132324 340208713 /nfs/dbraw/zinc/20/87/13/340208713.db2.gz QSGPJCQALWOIHA-QGZVFWFLSA-N -1 1 312.369 3.946 20 5 DHBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000549343004 341291692 /nfs/dbraw/zinc/29/16/92/341291692.db2.gz QWBJNQKWGRDTDP-GOSISDBHSA-N -1 1 312.369 3.810 20 5 DHBDMM Cc1ccc([N+](=O)[O-])cc1Nc1nc(Br)ccc1[O-] ZINC001211285213 1014320506 /nfs/dbraw/zinc/32/05/06/1014320506.db2.gz UIFRODSRNZNHFQ-UHFFFAOYSA-N -1 1 324.134 3.510 20 5 DHBDMM O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000067738973 1019783931 /nfs/dbraw/zinc/78/39/31/1019783931.db2.gz VYDMSQOMUSQCLR-VMPITWQZSA-N -1 1 318.716 3.606 20 5 DHBDMM O=C([N-]c1c(F)cc(Cl)cc1F)c1csc([N+](=O)[O-])c1 ZINC000180327078 1022697358 /nfs/dbraw/zinc/69/73/58/1022697358.db2.gz WYVBCEYLJCAZFE-UHFFFAOYSA-N -1 1 318.688 3.840 20 5 DHBDMM O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1c([O-])cccc1Cl ZINC000493002184 1024320284 /nfs/dbraw/zinc/32/02/84/1024320284.db2.gz DNCNBTBSZUALBV-HJWRWDBZSA-N -1 1 318.716 3.606 20 5 DHBDMM Cc1cc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c(C)s1 ZINC000339066483 1034311091 /nfs/dbraw/zinc/31/10/91/1034311091.db2.gz RSEHCFHEYFQYID-JTQLQIEISA-N -1 1 306.387 3.830 20 5 DHBDMM O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1c([O-])cccc1Cl ZINC000493002183 1037102270 /nfs/dbraw/zinc/10/22/70/1037102270.db2.gz DNCNBTBSZUALBV-CMDGGOBGSA-N -1 1 318.716 3.606 20 5 DHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000355896708 336527224 /nfs/dbraw/zinc/52/72/24/336527224.db2.gz UGENOUMIZQAFJC-UHFFFAOYSA-N -1 1 324.218 3.659 20 5 DHBDMM O=[N+]([O-])c1ccccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450408 337992943 /nfs/dbraw/zinc/99/29/43/337992943.db2.gz SLAGUDXSPZSRTJ-UHFFFAOYSA-N -1 1 317.688 3.671 20 5 DHBDMM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cccc1[N+](=O)[O-] ZINC000431246937 338126650 /nfs/dbraw/zinc/12/66/50/338126650.db2.gz JRAFZLVYRPLXPU-UHFFFAOYSA-N -1 1 306.705 3.515 20 5 DHBDMM CC(C)(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000470280589 339315968 /nfs/dbraw/zinc/31/59/68/339315968.db2.gz PPQWZVTVTAZTMI-GFCCVEGCSA-N -1 1 313.357 3.713 20 5 DHBDMM Cc1nc(S[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000538516848 340830678 /nfs/dbraw/zinc/83/06/78/340830678.db2.gz TYKSTTBRMJZTGA-SNVBAGLBSA-N -1 1 305.359 3.561 20 5 DHBDMM CSc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000354599353 1025464889 /nfs/dbraw/zinc/46/48/89/1025464889.db2.gz UIAAXIULNPRFOH-UHFFFAOYSA-N -1 1 311.750 3.551 20 5 DHBDMM CSCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000356189329 1025978254 /nfs/dbraw/zinc/97/82/54/1025978254.db2.gz GKOOIUKAKLCMRT-UHFFFAOYSA-N -1 1 316.342 3.503 20 5 DHBDMM Cc1nc(SCc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C1CC1 ZINC000601088231 1027979296 /nfs/dbraw/zinc/97/92/96/1027979296.db2.gz NOZUJQAQQDYCGA-UHFFFAOYSA-N -1 1 317.370 3.569 20 5 DHBDMM Cc1cc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c(C)s1 ZINC000339066484 1034310893 /nfs/dbraw/zinc/31/08/93/1034310893.db2.gz RSEHCFHEYFQYID-SNVBAGLBSA-N -1 1 306.387 3.830 20 5 DHBDMM O=[N+]([O-])c1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001174481078 1034439906 /nfs/dbraw/zinc/43/99/06/1034439906.db2.gz ZWTMVLVTIDBEHI-UHFFFAOYSA-N -1 1 309.119 3.807 20 5 DHBDMM CCc1nc(SCc2ccc(C)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000865370764 1034610585 /nfs/dbraw/zinc/61/05/85/1034610585.db2.gz PIEWDRLTBDOPFP-UHFFFAOYSA-N -1 1 319.386 3.562 20 5 DHBDMM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc([N+](=O)[O-])[n-]1 ZINC000515531858 337991623 /nfs/dbraw/zinc/99/16/23/337991623.db2.gz FWRVDWLLTQNSQC-UHFFFAOYSA-N -1 1 319.320 3.746 20 5 DHBDMM Cc1cc(O)ccc1-c1nc2cc3ccccc3cc2c(=O)[n-]1 ZINC000436949363 338295363 /nfs/dbraw/zinc/29/53/63/338295363.db2.gz KBEXGYNIUXGHSF-UHFFFAOYSA-N -1 1 302.333 3.757 20 5 DHBDMM Cc1cc(Cl)cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1[O-] ZINC000136899822 341268745 /nfs/dbraw/zinc/26/87/45/341268745.db2.gz CMBLEFISQKIULY-UHFFFAOYSA-N -1 1 324.695 3.654 20 5 DHBDMM Cc1ccccc1[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000581872742 1015403273 /nfs/dbraw/zinc/40/32/73/1015403273.db2.gz INBBIAHXXWRUJT-SFHVURJKSA-N -1 1 312.369 3.850 20 5 DHBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000346884276 1016611634 /nfs/dbraw/zinc/61/16/34/1016611634.db2.gz MJHXGAJSNNLHBW-UHFFFAOYSA-N -1 1 321.720 3.674 20 5 DHBDMM Cc1cc(F)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1[N+](=O)[O-] ZINC000176784431 1018551214 /nfs/dbraw/zinc/55/12/14/1018551214.db2.gz TZXKHHHVIBEQLI-UHFFFAOYSA-N -1 1 324.695 3.654 20 5 DHBDMM CC(C)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000553548215 1020360378 /nfs/dbraw/zinc/36/03/78/1020360378.db2.gz HDBDHRJPJYUAFX-QGZVFWFLSA-N -1 1 300.358 3.787 20 5 DHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCSC2(CCCCC2)C1 ZINC000556927416 1021952042 /nfs/dbraw/zinc/95/20/42/1021952042.db2.gz PFWZVDUSHFYIKW-UHFFFAOYSA-N -1 1 322.430 3.552 20 5 DHBDMM Cn1cc([N-]c2ncc([N+](=O)[O-])s2)c(C2CCCCC2)n1 ZINC000450574741 1029556099 /nfs/dbraw/zinc/55/60/99/1029556099.db2.gz BDYMCPXPWJHSEY-UHFFFAOYSA-N -1 1 307.379 3.576 20 5 DHBDMM CC(=O)c1cc(Cl)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221769 1037581627 /nfs/dbraw/zinc/58/16/27/1037581627.db2.gz FGGMVLVOHQUWBJ-UHFFFAOYSA-N -1 1 306.705 3.900 20 5 DHBDMM COc1cc(O)cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000485884985 339715423 /nfs/dbraw/zinc/71/54/23/339715423.db2.gz SMCGVKZOPSHEED-UHFFFAOYSA-N -1 1 318.332 3.870 20 5 DHBDMM Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000338396085 525760507 /nfs/dbraw/zinc/76/05/07/525760507.db2.gz ATGXWHNVQUQIPE-UHFFFAOYSA-N -1 1 322.324 3.546 20 5 DHBDMM Cc1cc(Cl)ccc1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445594346 1017926827 /nfs/dbraw/zinc/92/68/27/1017926827.db2.gz SHIROVFBMILJAT-UHFFFAOYSA-N -1 1 318.720 3.526 20 5 DHBDMM CC[C@@H](C)n1ncc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000790807926 1024371739 /nfs/dbraw/zinc/37/17/39/1024371739.db2.gz KDGFJWTWMYMBOU-SECBINFHSA-N -1 1 319.321 3.723 20 5 DHBDMM CCc1nc(S[C@@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000563440266 1028045229 /nfs/dbraw/zinc/04/52/29/1028045229.db2.gz PQKXNHDWKAVWAQ-JTQLQIEISA-N -1 1 319.386 3.815 20 5 DHBDMM Cn1cc([N-]c2ncccc2[N+](=O)[O-])c(C2CCCCC2)n1 ZINC000450576609 1029555887 /nfs/dbraw/zinc/55/58/87/1029555887.db2.gz QVVRASYSRZFVCG-UHFFFAOYSA-N -1 1 301.350 3.515 20 5 DHBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000339064192 1034208642 /nfs/dbraw/zinc/20/86/42/1034208642.db2.gz SRNSLEHAGFVRMI-INIZCTEOSA-N -1 1 316.357 3.550 20 5 DHBDMM CCC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339064331 1034213939 /nfs/dbraw/zinc/21/39/39/1034213939.db2.gz UWHPRMFHYVYTER-INIZCTEOSA-N -1 1 300.358 3.931 20 5 DHBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([O-])c2ccccc2c1 ZINC000471576448 339347829 /nfs/dbraw/zinc/34/78/29/339347829.db2.gz BTZIZRHRVNEOLL-UHFFFAOYSA-N -1 1 308.293 3.706 20 5 DHBDMM O=C(Nc1cccc(-c2cccs2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000505882579 340180643 /nfs/dbraw/zinc/18/06/43/340180643.db2.gz GSRAEVKRAKHAEN-UHFFFAOYSA-N -1 1 313.338 3.904 20 5 DHBDMM