smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000536135422 835089450 /nfs/dbraw/zinc/08/94/50/835089450.db2.gz JMNQAHVCOGKGOC-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000608886975 835695322 /nfs/dbraw/zinc/69/53/22/835695322.db2.gz MYSLOBSSOJGFIX-UHFFFAOYSA-N -1 1 393.852 3.559 20 5 GHBDMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2O1 ZINC000430356536 836775939 /nfs/dbraw/zinc/77/59/39/836775939.db2.gz KUBAHWKZIHUURZ-UHFFFAOYSA-N -1 1 382.825 3.763 20 5 GHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Cl ZINC000014097743 838699326 /nfs/dbraw/zinc/69/93/26/838699326.db2.gz UMLQOYTWHUNMSK-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000106704046 841075285 /nfs/dbraw/zinc/07/52/85/841075285.db2.gz IQWQFAGOBRWFRR-UHFFFAOYSA-N -1 1 376.344 3.568 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCC[C@@H]1F ZINC000581733734 842113184 /nfs/dbraw/zinc/11/31/84/842113184.db2.gz ZCNDNBMYYDHWEI-LSDHHAIUSA-N -1 1 379.413 3.698 20 5 GHBDMM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000104908010 842815561 /nfs/dbraw/zinc/81/55/61/842815561.db2.gz CEVRXTMCXQBJCD-UHFFFAOYSA-N -1 1 375.450 3.632 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4[O-])C3)[nH]c2c1 ZINC000182149324 843254849 /nfs/dbraw/zinc/25/48/49/843254849.db2.gz GSPJCFXDDRCOEY-ZDUSSCGKSA-N -1 1 380.404 3.505 20 5 GHBDMM Cc1cc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000568986378 843727462 /nfs/dbraw/zinc/72/74/62/843727462.db2.gz BDFNYWPVGTWBIC-UHFFFAOYSA-N -1 1 398.444 3.990 20 5 GHBDMM Cc1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000153640983 848826281 /nfs/dbraw/zinc/82/62/81/848826281.db2.gz GBKJUIWULMYYDF-UHFFFAOYSA-N -1 1 383.404 3.736 20 5 GHBDMM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153733157 848960219 /nfs/dbraw/zinc/96/02/19/848960219.db2.gz MDEIYAZCESQMLK-UHFFFAOYSA-N -1 1 383.414 3.975 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000504025572 849840248 /nfs/dbraw/zinc/84/02/48/849840248.db2.gz MITGXSSTIOUXJH-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000436255130 851387004 /nfs/dbraw/zinc/38/70/04/851387004.db2.gz XDOYEHLTXKDTPO-QMMMGPOBSA-N -1 1 394.840 3.741 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000604546643 862295393 /nfs/dbraw/zinc/29/53/93/862295393.db2.gz UNXJERZMFZYSLL-UHFFFAOYSA-N -1 1 393.399 3.517 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1Br ZINC000757921684 862496579 /nfs/dbraw/zinc/49/65/79/862496579.db2.gz RPOAXQXZUPLWJE-UHFFFAOYSA-N -1 1 397.250 3.647 20 5 GHBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC001211867847 855515984 /nfs/dbraw/zinc/51/59/84/855515984.db2.gz MIKIBANXCBYPMW-LLVKDONJSA-N -1 1 387.672 3.501 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)n1 ZINC001128659147 856012273 /nfs/dbraw/zinc/01/22/73/856012273.db2.gz NARKRZMUIXWVNL-UHFFFAOYSA-N -1 1 393.787 3.862 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1Cc2ccccc2C1 ZINC000521581029 858142639 /nfs/dbraw/zinc/14/26/39/858142639.db2.gz KSKADFCLSMLDJW-UHFFFAOYSA-N -1 1 395.440 3.916 20 5 GHBDMM Cc1cc(NC[C@H](c2ccccc2Cl)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574992248 858486622 /nfs/dbraw/zinc/48/66/22/858486622.db2.gz BHMHZWGPHSJFDT-MRXNPFEDSA-N -1 1 377.828 3.970 20 5 GHBDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1C ZINC000184968514 858768823 /nfs/dbraw/zinc/76/88/23/858768823.db2.gz RUGFUFQJLBUPSD-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)cc2O1 ZINC000785484686 859577369 /nfs/dbraw/zinc/57/73/69/859577369.db2.gz BYLWBOCBKBEHQA-KRWDZBQOSA-N -1 1 396.396 3.741 20 5 GHBDMM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484238619 859892702 /nfs/dbraw/zinc/89/27/02/859892702.db2.gz AIJDBIRKFKQIIP-KRWDZBQOSA-N -1 1 383.791 3.868 20 5 GHBDMM Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000428296130 860131643 /nfs/dbraw/zinc/13/16/43/860131643.db2.gz NPDJJSGKVFAQPU-UHFFFAOYSA-N -1 1 379.298 3.595 20 5 GHBDMM CCOC(=O)c1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000183390534 866682331 /nfs/dbraw/zinc/68/23/31/866682331.db2.gz WICFYMWHZFSVBP-UHFFFAOYSA-N -1 1 395.371 3.987 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Sc1ccccc1 ZINC000742333314 867214996 /nfs/dbraw/zinc/21/49/96/867214996.db2.gz UYMBBQHUJUXXPX-NSHDSACASA-N -1 1 386.882 3.707 20 5 GHBDMM O=C(CSc1ccc(Cl)c(Cl)c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000742455777 867318497 /nfs/dbraw/zinc/31/84/97/867318497.db2.gz USQVSNVGALGHCW-UHFFFAOYSA-N -1 1 385.228 3.950 20 5 GHBDMM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000444972998 867546541 /nfs/dbraw/zinc/54/65/41/867546541.db2.gz CTRGCCVMIFYJFS-ZUZCIYMTSA-N -1 1 395.337 3.938 20 5 GHBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)cc(Br)c1[O-] ZINC000445400837 868381033 /nfs/dbraw/zinc/38/10/33/868381033.db2.gz FWGZQVGSRNPOBU-UHFFFAOYSA-N -1 1 398.194 3.850 20 5 GHBDMM O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)n2)c1 ZINC000445445811 868459111 /nfs/dbraw/zinc/45/91/11/868459111.db2.gz BNBWXFJOGXWGFD-UHFFFAOYSA-N -1 1 383.751 3.857 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000744497665 868885045 /nfs/dbraw/zinc/88/50/45/868885045.db2.gz OMKJWLHZOBBZGU-ZDUSSCGKSA-N -1 1 389.429 3.770 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1OC(C)C ZINC000463790253 872565352 /nfs/dbraw/zinc/56/53/52/872565352.db2.gz SJFAWYJVIXHLEY-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1OCC ZINC000768269059 873198879 /nfs/dbraw/zinc/19/88/79/873198879.db2.gz LPUNECLWBXURHN-UHFFFAOYSA-N -1 1 398.412 3.641 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1 ZINC000921205633 882718923 /nfs/dbraw/zinc/71/89/23/882718923.db2.gz BIARIWNCVHIMMW-UHFFFAOYSA-N -1 1 375.450 3.776 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000769045640 873758459 /nfs/dbraw/zinc/75/84/59/873758459.db2.gz CJPOQYVYCQVKPX-VIFPVBQESA-N -1 1 398.293 3.503 20 5 GHBDMM O=C(Nc1ccc([O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)OCC(F)(F)F ZINC000769584136 874169691 /nfs/dbraw/zinc/16/96/91/874169691.db2.gz GCLHYYZNYYDYTQ-UHFFFAOYSA-N -1 1 399.281 3.664 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1 ZINC000541802339 874315270 /nfs/dbraw/zinc/31/52/70/874315270.db2.gz PRJFMCDRMYAMRQ-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM C[C@@H]1C[C@H](C)CN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000465052998 875026352 /nfs/dbraw/zinc/02/63/52/875026352.db2.gz GRUNREVAJUYNFL-UONOGXRCSA-N -1 1 375.450 3.630 20 5 GHBDMM COc1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c([N+](=O)[O-])cc1F ZINC000449844725 875510344 /nfs/dbraw/zinc/51/03/44/875510344.db2.gz MNSOMNCHJAXZJB-UHFFFAOYSA-N -1 1 394.428 3.969 20 5 GHBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1Cl ZINC000491580216 875804901 /nfs/dbraw/zinc/80/49/01/875804901.db2.gz YTDKBZIMPURAQE-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc2O1 ZINC000785488661 876072883 /nfs/dbraw/zinc/07/28/83/876072883.db2.gz OXMPNBGJMJIZIP-QGZVFWFLSA-N -1 1 396.396 3.741 20 5 GHBDMM COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000106691995 876238759 /nfs/dbraw/zinc/23/87/59/876238759.db2.gz JZVKKNDVOKRJLM-PXNMLYILSA-N -1 1 386.385 3.506 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(Cl)c1 ZINC000788215906 877922611 /nfs/dbraw/zinc/92/26/11/877922611.db2.gz CPAKVPHIDMFIIH-UHFFFAOYSA-N -1 1 392.176 3.611 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000530887922 878731541 /nfs/dbraw/zinc/73/15/41/878731541.db2.gz ZANAAFJLFDHYLC-UHFFFAOYSA-N -1 1 398.400 3.840 20 5 GHBDMM Cc1c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c2ccccc2n1C ZINC000789737756 879254970 /nfs/dbraw/zinc/25/49/70/879254970.db2.gz IRSBKCZEWOWHHJ-UHFFFAOYSA-N -1 1 377.397 3.643 20 5 GHBDMM O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCCc2cccc([O-])c21 ZINC000538369242 879365848 /nfs/dbraw/zinc/36/58/48/879365848.db2.gz CETLFBSSGFJISZ-UHFFFAOYSA-N -1 1 375.384 3.955 20 5 GHBDMM COc1ccccc1-n1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc2ccccc21 ZINC000461242613 879419704 /nfs/dbraw/zinc/41/97/04/879419704.db2.gz GCPPFCKEHJEUAC-UHFFFAOYSA-N -1 1 377.360 3.523 20 5 GHBDMM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000609819110 883695837 /nfs/dbraw/zinc/69/58/37/883695837.db2.gz UJKYEZNMDLAQAG-UHFFFAOYSA-N -1 1 386.813 3.542 20 5 GHBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1C ZINC000808126453 886001814 /nfs/dbraw/zinc/00/18/14/886001814.db2.gz PSJJMSAUGHSOSJ-UHFFFAOYSA-N -1 1 388.804 3.814 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000809771067 887761352 /nfs/dbraw/zinc/76/13/52/887761352.db2.gz JMJVPTZVLJYNDI-HXUWFJFHSA-N -1 1 391.468 3.523 20 5 GHBDMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809806284 887815948 /nfs/dbraw/zinc/81/59/48/887815948.db2.gz JKGZVOCUDRHZNO-SECBINFHSA-N -1 1 393.248 3.794 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nccs1 ZINC000809818008 887873294 /nfs/dbraw/zinc/87/32/94/887873294.db2.gz WOESIKQFYXSVSZ-UHFFFAOYSA-N -1 1 396.277 3.572 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000747621140 888718017 /nfs/dbraw/zinc/71/80/17/888718017.db2.gz NOCVCPDWUYOZOB-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000216820449 892333759 /nfs/dbraw/zinc/33/37/59/892333759.db2.gz TXZGUEYBVNHWAM-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000918193383 893339075 /nfs/dbraw/zinc/33/90/75/893339075.db2.gz CFAMCCOZGINSGW-INIZCTEOSA-N -1 1 384.404 3.939 20 5 GHBDMM CSc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000814998044 893352543 /nfs/dbraw/zinc/35/25/43/893352543.db2.gz QNSKWVQIQXNVIQ-UHFFFAOYSA-N -1 1 390.845 3.588 20 5 GHBDMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001185486908 913905384 /nfs/dbraw/zinc/90/53/84/913905384.db2.gz FZBLBCBLTJCRJO-AWEZNQCLSA-N -1 1 381.429 3.585 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000537396436 894896121 /nfs/dbraw/zinc/89/61/21/894896121.db2.gz GRXDBKTVMKGWKP-UHFFFAOYSA-N -1 1 399.428 3.767 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1-c1ncco1 ZINC000132545320 897821609 /nfs/dbraw/zinc/82/16/09/897821609.db2.gz DFRCIDHKDLUWMM-UHFFFAOYSA-N -1 1 391.380 3.807 20 5 GHBDMM CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1ccc([O-])cc1F ZINC001186329756 914480722 /nfs/dbraw/zinc/48/07/22/914480722.db2.gz VEUVGIHLIKMSBR-UHFFFAOYSA-N -1 1 391.402 3.788 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447185 901088716 /nfs/dbraw/zinc/08/87/16/901088716.db2.gz JWHGUMPBFIXNBL-UHFFFAOYSA-N -1 1 389.481 3.758 20 5 GHBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)Cc1cccs1 ZINC001187584261 915351688 /nfs/dbraw/zinc/35/16/88/915351688.db2.gz WPQQRFLGDJUJCB-VIFPVBQESA-N -1 1 392.861 3.606 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC001187801359 915521924 /nfs/dbraw/zinc/52/19/24/915521924.db2.gz RCUGOOJPUZUAJV-MNOVXSKESA-N -1 1 398.378 3.689 20 5 GHBDMM CC(C)CCOc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001189170258 916468358 /nfs/dbraw/zinc/46/83/58/916468358.db2.gz IGIFRBNQRHGGPF-UHFFFAOYSA-N -1 1 384.479 3.560 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC001190078093 917112771 /nfs/dbraw/zinc/11/27/71/917112771.db2.gz RJXJUTLLEIRWFZ-UHFFFAOYSA-N -1 1 376.837 3.634 20 5 GHBDMM Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001191520728 918041658 /nfs/dbraw/zinc/04/16/58/918041658.db2.gz AEQNAYCKYGIMMZ-UHFFFAOYSA-N -1 1 382.869 3.856 20 5 GHBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cc1 ZINC000725819440 926457365 /nfs/dbraw/zinc/45/73/65/926457365.db2.gz NIHRELOCUNVDNE-QGZVFWFLSA-N -1 1 398.868 3.932 20 5 GHBDMM C[C@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000557735237 931640004 /nfs/dbraw/zinc/64/00/04/931640004.db2.gz WDLIJURBXIJTAH-BLLLJJGKSA-N -1 1 393.490 3.559 20 5 GHBDMM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001119536437 934365712 /nfs/dbraw/zinc/36/57/12/934365712.db2.gz LVPLKZDHIQUOAH-LSDHHAIUSA-N -1 1 396.777 3.827 20 5 GHBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001137674173 935696765 /nfs/dbraw/zinc/69/67/65/935696765.db2.gz JESJFAGDZNUIIL-UHFFFAOYSA-N -1 1 376.731 3.531 20 5 GHBDMM CCN(CC)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000577223775 974831400 /nfs/dbraw/zinc/83/14/00/974831400.db2.gz JEDUILWMEVFGLD-MRXNPFEDSA-N -1 1 392.843 3.836 20 5 GHBDMM CCOc1cc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000600675863 975006190 /nfs/dbraw/zinc/00/61/90/975006190.db2.gz PTVNNVIIPQTXGB-UHFFFAOYSA-N -1 1 391.449 3.528 20 5 GHBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000467980009 1015093782 /nfs/dbraw/zinc/09/37/82/1015093782.db2.gz BJNKPYQZKWDLLT-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM COC(=O)c1cc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000754614763 1022796584 /nfs/dbraw/zinc/79/65/84/1022796584.db2.gz 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Cc1cn2c(n1)[C@H](Oc1cc3c4ccc([O-])cc4oc(=O)c3cc1O)CCC2 ZINC001229804833 1033730074 /nfs/dbraw/zinc/73/00/74/1033730074.db2.gz FMVCZCXPAMTQQV-QGZVFWFLSA-N -1 1 378.384 3.776 20 5 GHBDMM CC(C)CCOC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234743111 1040270569 /nfs/dbraw/zinc/27/05/69/1040270569.db2.gz YVBWJVJBKXYXEP-GFCCVEGCSA-N -1 1 386.400 3.714 20 5 GHBDMM Cc1ccc([C@H](C)Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)cn1 ZINC001234751053 1040279009 /nfs/dbraw/zinc/27/90/09/1040279009.db2.gz SCMUZZZTJQLYMX-NSHDSACASA-N -1 1 379.368 3.906 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)c4ccncc4)cc3c(=O)c12 ZINC001234798188 1040327714 /nfs/dbraw/zinc/32/77/14/1040327714.db2.gz GMHUEAWXXVQVQH-LLVKDONJSA-N -1 1 379.368 3.901 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)c4cccnc4)cc3c(=O)c12 ZINC001234800157 1040331224 /nfs/dbraw/zinc/33/12/24/1040331224.db2.gz ZLZFGSUSXBIIOT-LLVKDONJSA-N -1 1 379.368 3.901 20 5 GHBDMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 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/nfs/dbraw/zinc/31/58/75/1059315875.db2.gz DCWUZKHZIDZJAI-UHFFFAOYSA-N -1 1 398.394 3.528 20 5 GHBDMM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001464079129 1064805093 /nfs/dbraw/zinc/80/50/93/1064805093.db2.gz VCRJCGLUPIHKGR-UHFFFAOYSA-N -1 1 386.795 3.915 20 5 GHBDMM CC(C)(NC(=O)c1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001465719686 1065809158 /nfs/dbraw/zinc/80/91/58/1065809158.db2.gz MVWAPNMTYFIOAX-UHFFFAOYSA-N -1 1 379.210 3.728 20 5 GHBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC001474877437 1074607539 /nfs/dbraw/zinc/60/75/39/1074607539.db2.gz JGKJNKQPEAROAT-QMMMGPOBSA-N -1 1 378.834 3.797 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCc2ccccc21 ZINC001475346227 1074842349 /nfs/dbraw/zinc/84/23/49/1074842349.db2.gz DOVTVWQSPIYBME-ZDUSSCGKSA-N -1 1 380.853 3.647 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2ccccc2C1 ZINC001475746949 1075013271 /nfs/dbraw/zinc/01/32/71/1075013271.db2.gz KBXVDXMVNAGKRR-ZDUSSCGKSA-N -1 1 398.843 3.613 20 5 GHBDMM CC(C)CCN1Cc2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC000736428257 599798287 /nfs/dbraw/zinc/79/82/87/599798287.db2.gz XYGKCFQPWZOCFA-UHFFFAOYSA-N -1 1 397.431 3.907 20 5 GHBDMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826260231 607929703 /nfs/dbraw/zinc/92/97/03/607929703.db2.gz CEFPKXJXOLTSIZ-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826260231 607929704 /nfs/dbraw/zinc/92/97/04/607929704.db2.gz CEFPKXJXOLTSIZ-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c(C)cc1[N+](=O)[O-] ZINC000414379383 837515248 /nfs/dbraw/zinc/51/52/48/837515248.db2.gz CVBIYYJVEKIOFR-HNNXBMFYSA-N -1 1 376.434 3.516 20 5 GHBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001211633586 836032974 /nfs/dbraw/zinc/03/29/74/836032974.db2.gz ZQHHKFWJNZUORU-KRWDZBQOSA-N -1 1 391.493 3.963 20 5 GHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429973421 844124366 /nfs/dbraw/zinc/12/43/66/844124366.db2.gz VWZMHNLITYPWKS-UHFFFAOYSA-N -1 1 395.194 3.721 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1Br ZINC000003581439 836925702 /nfs/dbraw/zinc/92/57/02/836925702.db2.gz DJXUQCIJXDBNLI-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000580017582 838390662 /nfs/dbraw/zinc/39/06/62/838390662.db2.gz RNEIQTVRFMIUOM-UHFFFAOYSA-N -1 1 386.426 3.655 20 5 GHBDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000511696201 840512147 /nfs/dbraw/zinc/51/21/47/840512147.db2.gz UYIVPDBYZZBRTN-LBPRGKRZSA-N -1 1 380.422 3.582 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000106893332 841138207 /nfs/dbraw/zinc/13/82/07/841138207.db2.gz ARNUAZOOWGKRNU-VIFPVBQESA-N -1 1 387.458 3.527 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(-c2ccccc2)cs1 ZINC000107310720 841242456 /nfs/dbraw/zinc/24/24/56/841242456.db2.gz XBUNSWIEHZHXKP-SNVBAGLBSA-N -1 1 395.487 3.819 20 5 GHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000434046996 846211282 /nfs/dbraw/zinc/21/12/82/846211282.db2.gz HBUXJHJMZBIHJI-UHFFFAOYSA-N -1 1 376.210 3.768 20 5 GHBDMM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1cc(-c2ccccn2)no1 ZINC000501280063 846799319 /nfs/dbraw/zinc/79/93/19/846799319.db2.gz ACHMATCBHYZVCI-UHFFFAOYSA-N -1 1 389.165 3.660 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135518253 846802241 /nfs/dbraw/zinc/80/22/41/846802241.db2.gz VDNKVCURDXEKJW-UHFFFAOYSA-N -1 1 382.348 3.518 20 5 GHBDMM COCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000478787952 847269259 /nfs/dbraw/zinc/26/92/59/847269259.db2.gz KFSNWLHPPDWIDW-UHFFFAOYSA-N -1 1 390.889 3.514 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000135666401 848316535 /nfs/dbraw/zinc/31/65/35/848316535.db2.gz ITVFGEOUTDPZBA-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1cccc(Cl)c1 ZINC000612623904 848690045 /nfs/dbraw/zinc/69/00/45/848690045.db2.gz ZIOBVGJNMUVZDI-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@@H](C2CC2)C1 ZINC000487179879 850544337 /nfs/dbraw/zinc/54/43/37/850544337.db2.gz QYNMSEWNZQMFMK-OAHLLOKOSA-N -1 1 387.461 3.632 20 5 GHBDMM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000604435185 862204815 /nfs/dbraw/zinc/20/48/15/862204815.db2.gz JWBYJUQLLDBCCH-UHFFFAOYSA-N -1 1 398.868 3.904 20 5 GHBDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000515628947 851269338 /nfs/dbraw/zinc/26/93/38/851269338.db2.gz ULYQLEDKOKJRAB-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000516221660 852282474 /nfs/dbraw/zinc/28/24/74/852282474.db2.gz PLNNYZZTGNUNEK-UHFFFAOYSA-N -1 1 384.841 3.812 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccccc2)CCCC1 ZINC000506265076 852522492 /nfs/dbraw/zinc/52/24/92/852522492.db2.gz UNGUHZBIAYGOEN-UHFFFAOYSA-N -1 1 380.853 3.996 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1[N+](=O)[O-] ZINC000481883596 862477715 /nfs/dbraw/zinc/47/77/15/862477715.db2.gz RAIZFEFPIZUZPP-UHFFFAOYSA-N -1 1 382.825 3.601 20 5 GHBDMM CC(C)(C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000590300734 855354494 /nfs/dbraw/zinc/35/44/94/855354494.db2.gz UTIWVRNYASPCJB-UHFFFAOYSA-N -1 1 396.443 3.700 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[nH]nc1C(C)C ZINC000592385243 856828164 /nfs/dbraw/zinc/82/81/64/856828164.db2.gz WTMDRJHVCVCHAO-UHFFFAOYSA-N -1 1 392.359 3.569 20 5 GHBDMM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001129224477 857924613 /nfs/dbraw/zinc/92/46/13/857924613.db2.gz AHUUVACAAXSFNY-UHFFFAOYSA-N -1 1 377.403 3.613 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594585661 858230937 /nfs/dbraw/zinc/23/09/37/858230937.db2.gz QXZOKTCOVYVLTN-UHFFFAOYSA-N -1 1 392.415 3.616 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2SC)OCCO3)c1 ZINC000575064727 858509398 /nfs/dbraw/zinc/50/93/98/858509398.db2.gz LINYLAKVZADPGW-UHFFFAOYSA-N -1 1 390.417 3.739 20 5 GHBDMM O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000522181156 858741859 /nfs/dbraw/zinc/74/18/59/858741859.db2.gz YNGZGORTLORHRX-UHFFFAOYSA-N -1 1 379.351 3.781 20 5 GHBDMM Cc1c(=O)[n-]c(SCCOc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000185052558 859067386 /nfs/dbraw/zinc/06/73/86/859067386.db2.gz GLOQVBSGUPJBDM-UHFFFAOYSA-N -1 1 383.429 3.825 20 5 GHBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1csc2ccccc12 ZINC000484113513 859823066 /nfs/dbraw/zinc/82/30/66/859823066.db2.gz VGWTYEGMZBOKKJ-UHFFFAOYSA-N -1 1 392.414 3.617 20 5 GHBDMM CC(C)CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000597870934 859866065 /nfs/dbraw/zinc/86/60/65/859866065.db2.gz AXUDOTDINPXMSP-UHFFFAOYSA-N -1 1 386.380 3.889 20 5 GHBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)c([O-])c1 ZINC000484262383 859901348 /nfs/dbraw/zinc/90/13/48/859901348.db2.gz KNJTYXQRYOADLJ-UHFFFAOYSA-N -1 1 399.628 3.689 20 5 GHBDMM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597944278 859947969 /nfs/dbraw/zinc/94/79/69/859947969.db2.gz KTVIXGAWXWJQQY-GOSISDBHSA-N -1 1 375.812 3.586 20 5 GHBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(-c2ccccc2C(F)(F)F)n1 ZINC000608963504 865861445 /nfs/dbraw/zinc/86/14/45/865861445.db2.gz SNVLBPVGWLJTTF-UHFFFAOYSA-N -1 1 379.298 3.688 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000740924587 866110171 /nfs/dbraw/zinc/11/01/71/866110171.db2.gz XRQDRVAJXFOVHJ-UHFFFAOYSA-N -1 1 387.392 3.577 20 5 GHBDMM O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444990906 867586007 /nfs/dbraw/zinc/58/60/07/867586007.db2.gz JZLUNGJPASSUIZ-QGZVFWFLSA-N -1 1 381.363 3.548 20 5 GHBDMM O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445183182 867904014 /nfs/dbraw/zinc/90/40/14/867904014.db2.gz NSZVWWMMDFGRBN-KRWDZBQOSA-N -1 1 391.383 3.616 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000479999084 868880758 /nfs/dbraw/zinc/88/07/58/868880758.db2.gz PFGJQTAYPHNHHC-AWEZNQCLSA-N -1 1 382.438 3.710 20 5 GHBDMM COc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000442961525 869163757 /nfs/dbraw/zinc/16/37/57/869163757.db2.gz FKWZTBWXUANKBR-UHFFFAOYSA-N -1 1 378.812 3.715 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC001192810208 870688103 /nfs/dbraw/zinc/68/81/03/870688103.db2.gz UBODXFREILRYDR-NILFDRSVSA-N -1 1 399.255 3.518 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c2cccnc12 ZINC000539105826 871326016 /nfs/dbraw/zinc/32/60/16/871326016.db2.gz KSFBPAXNDZNVEC-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000769048684 873760115 /nfs/dbraw/zinc/76/01/15/873760115.db2.gz LVRVYRSVJPXKDP-MRVPVSSYSA-N -1 1 399.186 3.791 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(Cl)c1F ZINC000770286876 874569991 /nfs/dbraw/zinc/56/99/91/874569991.db2.gz RLTQIBCOKKQOFQ-UHFFFAOYSA-N -1 1 378.834 3.662 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000610086342 877382689 /nfs/dbraw/zinc/38/26/89/877382689.db2.gz RIBZXFULZSMSBT-UHFFFAOYSA-N -1 1 396.852 3.516 20 5 GHBDMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000788215907 877922365 /nfs/dbraw/zinc/92/23/65/877922365.db2.gz CPXPOFLXYIDFAI-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1Cl ZINC000788217083 877924833 /nfs/dbraw/zinc/92/48/33/877924833.db2.gz SXHVKSONPJVERR-UHFFFAOYSA-N -1 1 378.740 3.650 20 5 GHBDMM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421419 880377737 /nfs/dbraw/zinc/37/77/37/880377737.db2.gz LPZCJGFNESFTMX-QMMMGPOBSA-N -1 1 395.289 3.873 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476384439 885483169 /nfs/dbraw/zinc/48/31/69/885483169.db2.gz ALPSCJKJHZDMHQ-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000193439477 886170582 /nfs/dbraw/zinc/17/05/82/886170582.db2.gz IWTUHSZPPHAKTG-UHFFFAOYSA-N -1 1 382.203 3.807 20 5 GHBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000195144364 886470447 /nfs/dbraw/zinc/47/04/47/886470447.db2.gz XHJQTARDYDEQIX-UHFFFAOYSA-N -1 1 393.475 3.756 20 5 GHBDMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000122681388 887069291 /nfs/dbraw/zinc/06/92/91/887069291.db2.gz WIDATBRHBLBMNG-UHFFFAOYSA-N -1 1 397.840 3.788 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c(Cl)cc1Cl ZINC000809809917 887821131 /nfs/dbraw/zinc/82/11/31/887821131.db2.gz DWKUBHHGQKMFKQ-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccn1 ZINC000809814807 887827607 /nfs/dbraw/zinc/82/76/07/887827607.db2.gz BYIARQFHAMCOPU-ZDUSSCGKSA-N -1 1 387.820 3.602 20 5 GHBDMM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809816291 887828178 /nfs/dbraw/zinc/82/81/78/887828178.db2.gz GXIOOQMDWAHDBQ-ZETCQYMHSA-N -1 1 394.236 3.546 20 5 GHBDMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809817639 887842807 /nfs/dbraw/zinc/84/28/07/887842807.db2.gz ITNITQYUQAKXTP-IUCAKERBSA-N -1 1 399.321 3.854 20 5 GHBDMM CCc1cc2c(COC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2cc1[O-] ZINC000763400631 889223231 /nfs/dbraw/zinc/22/32/31/889223231.db2.gz FATSISYBLAMPIN-GFCCVEGCSA-N -1 1 397.383 3.816 20 5 GHBDMM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918194419 893341305 /nfs/dbraw/zinc/34/13/05/893341305.db2.gz WPHQYFFHOCWNGI-CYBMUJFWSA-N -1 1 382.413 3.627 20 5 GHBDMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815038138 893391856 /nfs/dbraw/zinc/39/18/56/893391856.db2.gz DUEWZQSPNXTOTJ-SSDOTTSWSA-N -1 1 392.758 3.787 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc([N+](=O)[O-])c1F ZINC000131871189 897595368 /nfs/dbraw/zinc/59/53/68/897595368.db2.gz VDWZUYMIHZBPDQ-UHFFFAOYSA-N -1 1 382.413 3.768 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(Sc2ccccc2)CCCC1 ZINC000823621187 899138435 /nfs/dbraw/zinc/13/84/35/899138435.db2.gz YNZMQZFFIHMDCV-UHFFFAOYSA-N -1 1 397.464 3.687 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(Sc2ccccc2)CCCC1 ZINC000823621187 899138442 /nfs/dbraw/zinc/13/84/42/899138442.db2.gz YNZMQZFFIHMDCV-UHFFFAOYSA-N -1 1 397.464 3.687 20 5 GHBDMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000570831232 899624882 /nfs/dbraw/zinc/62/48/82/899624882.db2.gz UBAWVACEJUBIRV-AWEZNQCLSA-N -1 1 398.337 3.928 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@@H]1CC1(Cl)Cl ZINC000846020919 902602676 /nfs/dbraw/zinc/60/26/76/902602676.db2.gz BRQUFLUNNMAMDC-MRVPVSSYSA-N -1 1 387.672 3.501 20 5 GHBDMM Cc1cc(NC[C@@H](c2ccccc2Cl)N(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578510972 903919741 /nfs/dbraw/zinc/91/97/41/903919741.db2.gz FYDLCPGNSQRWMV-KRWDZBQOSA-N -1 1 377.828 3.970 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1-c1ncco1 ZINC000191798130 907249469 /nfs/dbraw/zinc/24/94/69/907249469.db2.gz KTMIGVZANGWCLZ-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3c(c2)CO[C@H]3c2ccc(F)cc2)no1 ZINC001212892940 911378849 /nfs/dbraw/zinc/37/88/49/911378849.db2.gz DYHKOEXYLJIISE-INIZCTEOSA-N -1 1 393.334 3.794 20 5 GHBDMM O=C(OCc1ccc(OCc2cccnc2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074053 921715579 /nfs/dbraw/zinc/71/55/79/921715579.db2.gz BXPMNNACQRTJTJ-UHFFFAOYSA-N -1 1 380.356 3.631 20 5 GHBDMM CCn1c(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[n-]c1=S ZINC000097550796 915691919 /nfs/dbraw/zinc/69/19/19/915691919.db2.gz SVVSUQYRHIRODK-UHFFFAOYSA-N -1 1 398.448 3.542 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc4cnccc43)no2)n[n-]c1C(F)(F)F ZINC001212972728 916162325 /nfs/dbraw/zinc/16/23/25/916162325.db2.gz HDYGXHVYDJEGGA-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2ccccc2)on1 ZINC000119126224 919607126 /nfs/dbraw/zinc/60/71/26/919607126.db2.gz OKXNESMZTRZLDK-UHFFFAOYSA-N -1 1 381.344 3.663 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCC2)cc1 ZINC000749914691 927345548 /nfs/dbraw/zinc/34/55/48/927345548.db2.gz MEZMYRSQHWESMA-UHFFFAOYSA-N -1 1 394.424 3.534 20 5 GHBDMM Cc1cc([N-]c2ncc([N+](=O)[O-])c(C)c2Br)nn1[C@H](C)C1CC1 ZINC000544448066 929195403 /nfs/dbraw/zinc/19/54/03/929195403.db2.gz LMFBPAAJRTYEMD-SNVBAGLBSA-N -1 1 380.246 3.702 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000799529455 933026482 /nfs/dbraw/zinc/02/64/82/933026482.db2.gz JNWDQKKIXLCHGD-UHFFFAOYSA-N -1 1 381.841 3.649 20 5 GHBDMM O=C([N-]Cc1ccc(OC(F)(F)F)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777916938 934095923 /nfs/dbraw/zinc/09/59/23/934095923.db2.gz FYOMUXZKAFMUFQ-UHFFFAOYSA-N -1 1 390.264 3.902 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000777936391 934227996 /nfs/dbraw/zinc/22/79/96/934227996.db2.gz NOJIBAVKBIDAHQ-UHFFFAOYSA-N -1 1 398.387 3.914 20 5 GHBDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000777937752 934239759 /nfs/dbraw/zinc/23/97/59/934239759.db2.gz VUGOJTGQBVUJIC-UHFFFAOYSA-N -1 1 391.380 3.807 20 5 GHBDMM CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597349315 987484603 /nfs/dbraw/zinc/48/46/03/987484603.db2.gz FWZHENBENJYSSS-AWEZNQCLSA-N -1 1 391.449 3.651 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1OC(C)C ZINC000545474137 1015912858 /nfs/dbraw/zinc/91/28/58/1015912858.db2.gz ZLPOFBGDTXHOAY-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM COC(C[C@@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-])OC ZINC001227702978 1032523228 /nfs/dbraw/zinc/52/32/28/1032523228.db2.gz RKENIOKPKQXPOI-CYBMUJFWSA-N -1 1 389.404 3.616 20 5 GHBDMM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000754827964 1022917781 /nfs/dbraw/zinc/91/77/81/1022917781.db2.gz QHLVOGKRPSMSKL-KTKRTIGZSA-N -1 1 384.417 3.706 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)ccc1[O-] ZINC001210394128 1027486394 /nfs/dbraw/zinc/48/63/94/1027486394.db2.gz OXWDWRAFJPOJHK-GFCCVEGCSA-N -1 1 390.787 3.536 20 5 GHBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(Br)cnc1Br ZINC001210951544 1027717036 /nfs/dbraw/zinc/71/70/36/1027717036.db2.gz KBOHDBNYCPLLGS-UHFFFAOYSA-N -1 1 391.982 3.793 20 5 GHBDMM CC(C)[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001211458919 1027969947 /nfs/dbraw/zinc/96/99/47/1027969947.db2.gz HMQJMYKAHINFNJ-WMLDXEAASA-N -1 1 380.491 3.894 20 5 GHBDMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226183554 1031838270 /nfs/dbraw/zinc/83/82/70/1031838270.db2.gz WYKRSSHQQXNPHU-LLVKDONJSA-N -1 1 381.344 3.626 20 5 GHBDMM O=c1c2ccc([O-])cc2oc2cc(OC[C@H]3COc4cscc4O3)ccc12 ZINC001229515129 1033533525 /nfs/dbraw/zinc/53/35/25/1033533525.db2.gz PWNMVOOMKXRURH-ZDUSSCGKSA-N -1 1 382.393 3.932 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001229749596 1033684890 /nfs/dbraw/zinc/68/48/90/1033684890.db2.gz FOXBQKBDWUVXHZ-WDNDVIMCSA-N -1 1 378.425 3.918 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC001209137058 1035188891 /nfs/dbraw/zinc/18/88/91/1035188891.db2.gz ORZGPXQIJSVTCL-GFCCVEGCSA-N -1 1 382.869 3.893 20 5 GHBDMM Cc1ccc([C@@H](C)Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)cn1 ZINC001234123654 1039863661 /nfs/dbraw/zinc/86/36/61/1039863661.db2.gz GDMJGBQGGUCSDS-LLVKDONJSA-N -1 1 379.368 3.906 20 5 GHBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3COCc4ccccc43)c12 ZINC001234125259 1039866149 /nfs/dbraw/zinc/86/61/49/1039866149.db2.gz PWYWZRMTLNRXRF-SFHVURJKSA-N -1 1 392.363 3.713 20 5 GHBDMM C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ccncc1F ZINC001234124740 1039867660 /nfs/dbraw/zinc/86/76/60/1039867660.db2.gz KKFNSFZLKLYCGC-VIFPVBQESA-N -1 1 383.331 3.737 20 5 GHBDMM CCOC(=O)[C@H](CC(C)C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742804 1040269095 /nfs/dbraw/zinc/26/90/95/1040269095.db2.gz SQTGRJVUWJKYDY-KRWDZBQOSA-N -1 1 386.400 3.714 20 5 GHBDMM O=c1c2ccc(O)c(O[C@@H]3CCCc4cccnc43)c2oc2cc([O-])cc(O)c12 ZINC001234752313 1040280338 /nfs/dbraw/zinc/28/03/38/1040280338.db2.gz GTNRFGRJYVIMIO-MRXNPFEDSA-N -1 1 391.379 3.914 20 5 GHBDMM COc1ccc([C@@H](C)Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)cn1 ZINC001234751246 1040280753 /nfs/dbraw/zinc/28/07/53/1040280753.db2.gz VPKDCPTXWTWPHC-SNVBAGLBSA-N -1 1 395.367 3.607 20 5 GHBDMM O=c1c2ccc(O)c(O[C@H]3CCCc4cccnc43)c2oc2cc([O-])cc(O)c12 ZINC001234752310 1040280794 /nfs/dbraw/zinc/28/07/94/1040280794.db2.gz GTNRFGRJYVIMIO-INIZCTEOSA-N -1 1 391.379 3.914 20 5 GHBDMM CCOC(=O)[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC001234877678 1040390827 /nfs/dbraw/zinc/39/08/27/1040390827.db2.gz QCIYVTAWLWNJJQ-AWEZNQCLSA-N -1 1 396.193 3.746 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)cc1Cl ZINC001462704099 1070483944 /nfs/dbraw/zinc/48/39/44/1070483944.db2.gz PGBOGBQGANDSKW-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM CC(C)Cc1ccc([C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)cc1 ZINC001462987042 1070709953 /nfs/dbraw/zinc/70/99/53/1070709953.db2.gz IQPYRGXFPUIVRD-SFHVURJKSA-N -1 1 389.477 3.618 20 5 GHBDMM O=C(N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001304372380 1047664304 /nfs/dbraw/zinc/66/43/04/1047664304.db2.gz WAOITLZCVHSVLX-APWZRJJASA-N -1 1 391.383 3.690 20 5 GHBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308044994 1049794665 /nfs/dbraw/zinc/79/46/65/1049794665.db2.gz UGKMTHONXPHHQR-UHFFFAOYSA-N -1 1 393.484 3.960 20 5 GHBDMM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001290312145 1049799269 /nfs/dbraw/zinc/79/92/69/1049799269.db2.gz CTOUSWPHWJDPMP-AWEZNQCLSA-N -1 1 395.868 3.582 20 5 GHBDMM Cc1ccc(CN(CCc2ccccc2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC001290527697 1049871653 /nfs/dbraw/zinc/87/16/53/1049871653.db2.gz RGJOKSXWPIOOIW-UHFFFAOYSA-N -1 1 397.456 3.950 20 5 GHBDMM C[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309348910 1050621618 /nfs/dbraw/zinc/62/16/18/1050621618.db2.gz URFXKCXQQDSDEQ-QGHHPUGFSA-N -1 1 398.843 3.989 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC001309425058 1050709450 /nfs/dbraw/zinc/70/94/50/1050709450.db2.gz FSPLTFPLCQDCHW-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccsc2[N+](=O)[O-])c(Br)c1 ZINC001322274521 1056600925 /nfs/dbraw/zinc/60/09/25/1056600925.db2.gz YTNNXCXWVHJCQT-UHFFFAOYSA-N -1 1 377.241 3.528 20 5 GHBDMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc(F)cc([N+](=O)[O-])c1Br ZINC001451759343 1060831946 /nfs/dbraw/zinc/83/19/46/1060831946.db2.gz VHMNPDJYKWVUOY-UHFFFAOYSA-N -1 1 391.099 3.733 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2C)cc1F ZINC001463413590 1064327600 /nfs/dbraw/zinc/32/76/00/1064327600.db2.gz SEHNFEHNTAYDAO-ADLMAVQZSA-N -1 1 378.425 3.644 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001463614063 1064502148 /nfs/dbraw/zinc/50/21/48/1064502148.db2.gz MJDFVWZOGAEPLD-WCQYABFASA-N -1 1 387.244 3.736 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC001463778607 1064608658 /nfs/dbraw/zinc/60/86/58/1064608658.db2.gz XLNXCSVISSPKLR-ZDUSSCGKSA-N -1 1 398.843 3.859 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1=CCCC1 ZINC001463827493 1064654330 /nfs/dbraw/zinc/65/43/30/1064654330.db2.gz IZXQVWAYDPWMCN-UHFFFAOYSA-N -1 1 376.837 3.802 20 5 GHBDMM CC(C)(C)OC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001464205318 1064906480 /nfs/dbraw/zinc/90/64/80/1064906480.db2.gz YZRMCXOQOIBCQB-UHFFFAOYSA-N -1 1 390.889 3.653 20 5 GHBDMM CC(C)Oc1cc(Cl)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001464392435 1064984920 /nfs/dbraw/zinc/98/49/20/1064984920.db2.gz IMJDUUIURJTQCR-UHFFFAOYSA-N -1 1 390.870 3.575 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CCC1 ZINC001464459626 1065022853 /nfs/dbraw/zinc/02/28/53/1065022853.db2.gz CKGWTPKPXSSPJZ-UHFFFAOYSA-N -1 1 398.843 3.788 20 5 GHBDMM CN(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Cl)cc1 ZINC001465583474 1065729011 /nfs/dbraw/zinc/72/90/11/1065729011.db2.gz PECVNSHPGFAMKC-OAHLLOKOSA-N -1 1 398.246 3.640 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001475387459 1074857195 /nfs/dbraw/zinc/85/71/95/1074857195.db2.gz QMSWEWQUUGVGLB-HIFRSBDPSA-N -1 1 395.868 3.648 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826272369 607929597 /nfs/dbraw/zinc/92/95/97/607929597.db2.gz GCBCMFGTXUUNBH-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826272369 607929598 /nfs/dbraw/zinc/92/95/98/607929598.db2.gz GCBCMFGTXUUNBH-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM CC(C)(C)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2nnn[n-]2)s1 ZINC000824130572 608348659 /nfs/dbraw/zinc/34/86/59/608348659.db2.gz NAAQFAZPSMCOPU-UHFFFAOYSA-N -1 1 390.400 3.525 20 5 GHBDMM CC(C)(C)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2nn[n-]n2)s1 ZINC000824130572 608348661 /nfs/dbraw/zinc/34/86/61/608348661.db2.gz NAAQFAZPSMCOPU-UHFFFAOYSA-N -1 1 390.400 3.525 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C(F)(F)F)c1 ZINC000161577832 836871258 /nfs/dbraw/zinc/87/12/58/836871258.db2.gz CEUSSMZIVXAQOL-UHFFFAOYSA-N -1 1 382.266 3.693 20 5 GHBDMM Cc1cc(-c2ncccc2NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cs1 ZINC000189723569 838387235 /nfs/dbraw/zinc/38/72/35/838387235.db2.gz JAXHIWQLXUWIKH-UHFFFAOYSA-N -1 1 391.430 3.533 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1C ZINC000064938324 839572761 /nfs/dbraw/zinc/57/27/61/839572761.db2.gz DOKKKZIWYAOKPX-UHFFFAOYSA-N -1 1 390.461 3.939 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000467080026 841256750 /nfs/dbraw/zinc/25/67/50/841256750.db2.gz CBVPZBVLNUVVMB-UHFFFAOYSA-N -1 1 394.449 3.829 20 5 GHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000603879299 861315622 /nfs/dbraw/zinc/31/56/22/861315622.db2.gz QPRILMWCCGIEAR-UHFFFAOYSA-N -1 1 379.376 3.517 20 5 GHBDMM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473213679 842614440 /nfs/dbraw/zinc/61/44/40/842614440.db2.gz FWPWQKCFKCNUAN-NSHDSACASA-N -1 1 398.444 3.927 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c2C)o1 ZINC000135403790 843344083 /nfs/dbraw/zinc/34/40/83/843344083.db2.gz RNUNVSMKBPKPFM-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000135633157 848231371 /nfs/dbraw/zinc/23/13/71/848231371.db2.gz JZYRQNUQCDJOIU-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc12 ZINC000611739115 848860419 /nfs/dbraw/zinc/86/04/19/848860419.db2.gz VALKRMUKQHVLMS-UHFFFAOYSA-N -1 1 388.401 3.566 20 5 GHBDMM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000489288663 852196635 /nfs/dbraw/zinc/19/66/35/852196635.db2.gz HJUFDOTYOUPOLG-LLVKDONJSA-N -1 1 390.827 3.843 20 5 GHBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1Cl ZINC000481981501 862592548 /nfs/dbraw/zinc/59/25/48/862592548.db2.gz MIYKGCQYUIGIJB-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM Cc1cc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ncc1[N+](=O)[O-] ZINC000301453306 854755254 /nfs/dbraw/zinc/75/52/54/854755254.db2.gz VDFJAMFZQDVJGQ-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000590521305 855478143 /nfs/dbraw/zinc/47/81/43/855478143.db2.gz NIIUUTSQZTUVMR-UHFFFAOYSA-N -1 1 382.829 3.554 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000760793691 855614688 /nfs/dbraw/zinc/61/46/88/855614688.db2.gz OVGHZPVUJLVFMQ-UHFFFAOYSA-N -1 1 377.780 3.864 20 5 GHBDMM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000553905659 855645525 /nfs/dbraw/zinc/64/55/25/855645525.db2.gz LXAGAQDBNRSCPA-ZDUSSCGKSA-N -1 1 398.868 3.522 20 5 GHBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441798622 856408297 /nfs/dbraw/zinc/40/82/97/856408297.db2.gz SODJFYBERSAQTH-HNNXBMFYSA-N -1 1 386.795 3.807 20 5 GHBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173370536 856890359 /nfs/dbraw/zinc/89/03/59/856890359.db2.gz SUAUYBPRUSRTBK-CQSZACIVSA-N -1 1 389.886 3.617 20 5 GHBDMM O=C([N-]c1c(F)cccc1C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC001128948682 857035626 /nfs/dbraw/zinc/03/56/26/857035626.db2.gz UCDSSVLXGCMGLJ-UHFFFAOYSA-N -1 1 384.319 3.936 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccncc1 ZINC000442220909 857636920 /nfs/dbraw/zinc/63/69/20/857636920.db2.gz QNZODHNUUCCUGV-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM COc1c(F)cc(F)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486325471 857643264 /nfs/dbraw/zinc/64/32/64/857643264.db2.gz KZEJMJBQVATLTM-UHFFFAOYSA-N -1 1 393.165 3.958 20 5 GHBDMM CCOC(=O)c1ccnc([N-]c2cnn(CC(C)C)c2C(C)C)c1[N+](=O)[O-] ZINC000499643467 858015494 /nfs/dbraw/zinc/01/54/94/858015494.db2.gz YUWRRTOXDWOQRT-UHFFFAOYSA-N -1 1 375.429 3.886 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000594733683 858268115 /nfs/dbraw/zinc/26/81/15/858268115.db2.gz BMHLKHGBMHDBBT-FGTMMUONSA-N -1 1 376.453 3.847 20 5 GHBDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509388347 859271710 /nfs/dbraw/zinc/27/17/10/859271710.db2.gz PWNQNOBMECBRFP-UHFFFAOYSA-N -1 1 383.429 3.690 20 5 GHBDMM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000593333377 859445458 /nfs/dbraw/zinc/44/54/58/859445458.db2.gz VMVJJQXHSZMDOG-AWEZNQCLSA-N -1 1 397.225 3.912 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000598711452 860524507 /nfs/dbraw/zinc/52/45/07/860524507.db2.gz UPBBWXNSBZRCEA-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM COc1ccccc1CC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593734135 861087135 /nfs/dbraw/zinc/08/71/35/861087135.db2.gz USCJCIAPSVHEIZ-UHFFFAOYSA-N -1 1 384.432 3.756 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000593740076 861108032 /nfs/dbraw/zinc/10/80/32/861108032.db2.gz OTNZCZMGNREJQW-UHFFFAOYSA-N -1 1 388.395 3.613 20 5 GHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(Cl)c1 ZINC000480243995 864309560 /nfs/dbraw/zinc/30/95/60/864309560.db2.gz GIUVXXAMXBCGSS-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM CCOc1ccc(F)c([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1F ZINC000534034324 866012200 /nfs/dbraw/zinc/01/22/00/866012200.db2.gz DNRDUEAMBSVRQP-UHFFFAOYSA-N -1 1 382.319 3.541 20 5 GHBDMM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001127222476 867413041 /nfs/dbraw/zinc/41/30/41/867413041.db2.gz UQUCVXQZCHXVCX-UHFFFAOYSA-N -1 1 395.322 3.779 20 5 GHBDMM O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146236 867831725 /nfs/dbraw/zinc/83/17/25/867831725.db2.gz VOXTURIAFOHXGZ-ZIAGYGMSSA-N -1 1 395.337 3.780 20 5 GHBDMM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000553905656 868439861 /nfs/dbraw/zinc/43/98/61/868439861.db2.gz LXAGAQDBNRSCPA-CYBMUJFWSA-N -1 1 398.868 3.522 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(Br)c1 ZINC000445482117 868510131 /nfs/dbraw/zinc/51/01/31/868510131.db2.gz OWAGMLLAWIBIAT-UHFFFAOYSA-N -1 1 380.129 3.919 20 5 GHBDMM CSCCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000524237315 868787090 /nfs/dbraw/zinc/78/70/90/868787090.db2.gz QYTFZPAEQHYFHJ-UHFFFAOYSA-N -1 1 395.506 3.951 20 5 GHBDMM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130109660 869830824 /nfs/dbraw/zinc/83/08/24/869830824.db2.gz OBFUKKNJTXEFKI-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM C[C@@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748756 870831683 /nfs/dbraw/zinc/83/16/83/870831683.db2.gz AAUOUVDAWRJGSW-CQSZACIVSA-N -1 1 382.416 3.525 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCC(F)(F)F ZINC000525704099 871236439 /nfs/dbraw/zinc/23/64/39/871236439.db2.gz UKISMNDVDULQDV-UHFFFAOYSA-N -1 1 389.355 3.760 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)cc2F)s1 ZINC000447942170 872538277 /nfs/dbraw/zinc/53/82/77/872538277.db2.gz LWXHINPOGJSZOO-UHFFFAOYSA-N -1 1 382.394 3.534 20 5 GHBDMM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000768266274 873199040 /nfs/dbraw/zinc/19/90/40/873199040.db2.gz OMIRGDZMFDNPHH-UHFFFAOYSA-N -1 1 382.413 3.940 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1 ZINC000769045389 873760249 /nfs/dbraw/zinc/76/02/49/873760249.db2.gz FZQSYCYLVUWMEA-GFCCVEGCSA-N -1 1 380.356 3.638 20 5 GHBDMM O=C([N-]c1ccc(Cl)c([N+](=O)[O-])c1)c1sccc1S(=O)(=O)C(F)F ZINC000108153116 876440027 /nfs/dbraw/zinc/44/00/27/876440027.db2.gz ZNPSLUCTWJPNPN-UHFFFAOYSA-N -1 1 396.780 3.558 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000520038099 879269564 /nfs/dbraw/zinc/26/95/64/879269564.db2.gz FEIQZOGNXWSMBY-UHFFFAOYSA-N -1 1 385.239 3.721 20 5 GHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1 ZINC000609657960 883497105 /nfs/dbraw/zinc/49/71/05/883497105.db2.gz YNBPHWPDZMTLSR-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM O=C(N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001183695509 912735839 /nfs/dbraw/zinc/73/58/39/912735839.db2.gz XCAIQFDFRDRLOF-JSGCOSHPSA-N -1 1 375.812 3.805 20 5 GHBDMM CCN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)C(=O)OC(C)(C)C ZINC000918605745 884036474 /nfs/dbraw/zinc/03/64/74/884036474.db2.gz BWOPTPJHDHEBIA-UHFFFAOYSA-N -1 1 388.424 3.932 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000761891440 884930222 /nfs/dbraw/zinc/93/02/22/884930222.db2.gz LAPGKYPDRPMTCI-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc1C ZINC000122419863 889760085 /nfs/dbraw/zinc/76/00/85/889760085.db2.gz QCPZWIXZHJBICZ-UHFFFAOYSA-N -1 1 389.886 3.535 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1[N+](=O)[O-] ZINC000814286056 892492346 /nfs/dbraw/zinc/49/23/46/892492346.db2.gz WISDSJOGFIGYAR-CQSZACIVSA-N -1 1 390.795 3.841 20 5 GHBDMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000497847559 892549060 /nfs/dbraw/zinc/54/90/60/892549060.db2.gz HRTIBAISBLFENW-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000918194623 893340501 /nfs/dbraw/zinc/34/05/01/893340501.db2.gz IRGKTBMORHTQAE-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000800052319 898538855 /nfs/dbraw/zinc/53/88/55/898538855.db2.gz PZDRZUGRFDLQFL-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000216144823 904435400 /nfs/dbraw/zinc/43/54/00/904435400.db2.gz PDEDYCZMWGXOOR-UHFFFAOYSA-N -1 1 390.339 3.911 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC001188687620 916112603 /nfs/dbraw/zinc/11/26/03/916112603.db2.gz AQZMHGWZFNUUBL-NSHDSACASA-N -1 1 386.367 3.688 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] ZINC000007055702 918388918 /nfs/dbraw/zinc/38/89/18/918388918.db2.gz NSZASGPNXROZJR-UHFFFAOYSA-N -1 1 390.417 3.746 20 5 GHBDMM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000725837864 926464301 /nfs/dbraw/zinc/46/43/01/926464301.db2.gz SEXTYLSVLQJLSF-AWEZNQCLSA-N -1 1 382.413 3.562 20 5 GHBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 ZINC000469891471 930238318 /nfs/dbraw/zinc/23/83/18/930238318.db2.gz ZBYYEPUYANOCOI-UHFFFAOYSA-N -1 1 376.344 3.952 20 5 GHBDMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2O1 ZINC000797431573 932282566 /nfs/dbraw/zinc/28/25/66/932282566.db2.gz REDWGULLNGYHPC-UHFFFAOYSA-N -1 1 388.854 3.824 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC001603511929 973509971 /nfs/dbraw/zinc/50/99/71/973509971.db2.gz AOAIBDKBJCOSAG-OFQRWUPVSA-N -1 1 394.468 3.571 20 5 GHBDMM C[C@@H](Oc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC001593617113 995849644 /nfs/dbraw/zinc/84/96/44/995849644.db2.gz BGQSCADLEQQSIS-LLVKDONJSA-N -1 1 398.337 3.755 20 5 GHBDMM CC(C)(C)C(=O)OC1CC(Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227308611 1032367104 /nfs/dbraw/zinc/36/71/04/1032367104.db2.gz DKRFCVBERXYDST-UHFFFAOYSA-N -1 1 398.411 3.857 20 5 GHBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cc(Br)no1 ZINC001228861046 1033145186 /nfs/dbraw/zinc/14/51/86/1033145186.db2.gz ZVJODKPJDXVURP-SCSAIBSYSA-N -1 1 398.091 3.605 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ccc(Br)nc2Br)ccc1[O-] ZINC001210392422 1027484230 /nfs/dbraw/zinc/48/42/30/1027484230.db2.gz DCPXNRCPBPNUKZ-UHFFFAOYSA-N -1 1 389.003 3.964 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c(C)o1 ZINC000840954579 1027983829 /nfs/dbraw/zinc/98/38/29/1027983829.db2.gz KKVVINJDKYBPDH-ZDUSSCGKSA-N -1 1 396.318 3.526 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cccc(OC(C)C)c2)cc1F ZINC001213697992 1028336349 /nfs/dbraw/zinc/33/63/49/1028336349.db2.gz KYXGTIPOLNNBGH-CYBMUJFWSA-N -1 1 396.440 3.869 20 5 GHBDMM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214165234 1028576662 /nfs/dbraw/zinc/57/66/62/1028576662.db2.gz OQCDRBMDBNHVLA-UHFFFAOYSA-N -1 1 391.449 3.895 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OCc1cc(C)ccc1OC(C)C ZINC001226310943 1031911658 /nfs/dbraw/zinc/91/16/58/1031911658.db2.gz RQGVZUKMVHCAOP-UHFFFAOYSA-N -1 1 390.392 3.547 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCc2ccc(Cl)cc21 ZINC001226310227 1031911717 /nfs/dbraw/zinc/91/17/17/1031911717.db2.gz OEGKVPQNIGYKIU-ZDUSSCGKSA-N -1 1 378.768 3.592 20 5 GHBDMM O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ncc(Br)cc3[O-])C2)cc1 ZINC001205882190 1033618640 /nfs/dbraw/zinc/61/86/40/1033618640.db2.gz JVIAIVVUKPRWSI-ZDUSSCGKSA-N -1 1 392.253 3.838 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@H]3Cc4ccccc4O3)c(O)cc12 ZINC001229802262 1033727091 /nfs/dbraw/zinc/72/70/91/1033727091.db2.gz JQKXNNOHJDMCJV-CQSZACIVSA-N -1 1 376.364 3.740 20 5 GHBDMM CC(C)CCOC(=O)[C@H](C)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229804764 1033730227 /nfs/dbraw/zinc/73/02/27/1033730227.db2.gz CYPQLPSIYCLWIV-LBPRGKRZSA-N -1 1 386.400 3.714 20 5 GHBDMM COc1ccc([C@H](C)Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)cn1 ZINC001234123644 1039864330 /nfs/dbraw/zinc/86/43/30/1039864330.db2.gz FTOWSIGSFIXLBW-JTQLQIEISA-N -1 1 395.367 3.607 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747784 1040271891 /nfs/dbraw/zinc/27/18/91/1040271891.db2.gz OOADBQQSDFMTSM-DOMZBBRYSA-N -1 1 398.411 3.858 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)n1 ZINC001292462966 1043747053 /nfs/dbraw/zinc/74/70/53/1043747053.db2.gz UPGUXJDLDUQTES-UHFFFAOYSA-N -1 1 380.408 3.633 20 5 GHBDMM O=C(c1ccc2ccc(O)cc2c1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001295350311 1044985911 /nfs/dbraw/zinc/98/59/11/1044985911.db2.gz DGYVNYVFYOMFPF-UHFFFAOYSA-N -1 1 378.384 3.964 20 5 GHBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001309105087 1050358759 /nfs/dbraw/zinc/35/87/59/1050358759.db2.gz XYEODVUYDVDJBL-MRXNPFEDSA-N -1 1 384.404 3.939 20 5 GHBDMM Cc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309922143 1051046173 /nfs/dbraw/zinc/04/61/73/1051046173.db2.gz GDLKOAXQBFVHHW-UHFFFAOYSA-N -1 1 375.233 3.689 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC001463370813 1064289630 /nfs/dbraw/zinc/28/96/30/1064289630.db2.gz MPLNCFDXNPYGTM-UHFFFAOYSA-N -1 1 380.853 3.549 20 5 GHBDMM CC(C)Oc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)ccc1[N+](=O)[O-] ZINC001353338243 1065888291 /nfs/dbraw/zinc/88/82/91/1065888291.db2.gz PPCOYGUVOOBXIQ-UHFFFAOYSA-N -1 1 381.291 3.821 20 5 GHBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](C)c1ccccc1C(F)(F)F ZINC001472531225 1073533520 /nfs/dbraw/zinc/53/35/20/1073533520.db2.gz LKXMBVVAGWDMQY-VHSXEESVSA-N -1 1 383.326 3.636 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(Cl)cc1Cl ZINC001475274612 1074817984 /nfs/dbraw/zinc/81/79/84/1074817984.db2.gz VERHXVUQXYNMKX-UHFFFAOYSA-N -1 1 379.265 3.903 20 5 GHBDMM O=[N+]([O-])c1cnc(Sc2ccc(-c3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373804 598500013 /nfs/dbraw/zinc/50/00/13/598500013.db2.gz HCLUCLPCWNSEED-UHFFFAOYSA-N -1 1 376.401 3.988 20 5 GHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000092785960 834890863 /nfs/dbraw/zinc/89/08/63/834890863.db2.gz AQRVPXMQBRJYBZ-AWEZNQCLSA-N -1 1 398.394 3.869 20 5 GHBDMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000436005920 839166619 /nfs/dbraw/zinc/16/66/19/839166619.db2.gz SJYYSYLWXDVWNZ-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175826483 840093020 /nfs/dbraw/zinc/09/30/20/840093020.db2.gz XLBPQFCNROEZFS-UHFFFAOYSA-N -1 1 392.202 3.794 20 5 GHBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])c2C)o1 ZINC000135403481 843284068 /nfs/dbraw/zinc/28/40/68/843284068.db2.gz SVGKUQBOWHPEMD-UHFFFAOYSA-N -1 1 390.421 3.612 20 5 GHBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000063181313 846549326 /nfs/dbraw/zinc/54/93/26/846549326.db2.gz YMXVRJZWIFZBNZ-UHFFFAOYSA-N -1 1 391.449 3.751 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000023389912 846996442 /nfs/dbraw/zinc/99/64/42/846996442.db2.gz BAUCOUFMMIKWIR-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nc(C)cs1 ZINC000176694315 847751685 /nfs/dbraw/zinc/75/16/85/847751685.db2.gz HIIKIKNMFWVXER-NSHDSACASA-N -1 1 389.886 3.751 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000731781982 861890438 /nfs/dbraw/zinc/89/04/38/861890438.db2.gz XHSJPIGXTRMVIZ-UHFFFAOYSA-N -1 1 389.477 3.948 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000731781992 861890693 /nfs/dbraw/zinc/89/06/93/861890693.db2.gz XSGMFIAHKRWCPE-UHFFFAOYSA-N -1 1 375.450 3.558 20 5 GHBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000436255129 851387017 /nfs/dbraw/zinc/38/70/17/851387017.db2.gz XDOYEHLTXKDTPO-MRVPVSSYSA-N -1 1 394.840 3.741 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000516343826 852448081 /nfs/dbraw/zinc/44/80/81/852448081.db2.gz VOYSANPZMIFKLU-UHFFFAOYSA-N -1 1 394.758 3.746 20 5 GHBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000489763752 852592916 /nfs/dbraw/zinc/59/29/16/852592916.db2.gz DJTFIJDBXWHSCW-MRXNPFEDSA-N -1 1 380.853 3.986 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000507232575 852705062 /nfs/dbraw/zinc/70/50/62/852705062.db2.gz OEQKDTUMPQHMET-NSHDSACASA-N -1 1 397.353 3.808 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000516782916 852995353 /nfs/dbraw/zinc/99/53/53/852995353.db2.gz AOLYJMYWMCAKPG-AWEZNQCLSA-N -1 1 384.841 3.686 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000732670409 862431652 /nfs/dbraw/zinc/43/16/52/862431652.db2.gz OJKAHRILNWBPPZ-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000427473223 853139014 /nfs/dbraw/zinc/13/90/14/853139014.db2.gz VHMLSTMWAKDZMD-UHFFFAOYSA-N -1 1 376.419 3.744 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000519890137 853587733 /nfs/dbraw/zinc/58/77/33/853587733.db2.gz JBGZOHBGOCAVJW-UHFFFAOYSA-N -1 1 394.758 3.746 20 5 GHBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c1[O-] ZINC000588099991 854127459 /nfs/dbraw/zinc/12/74/59/854127459.db2.gz JFDGJNZHBYXOLM-UHFFFAOYSA-N -1 1 396.808 3.715 20 5 GHBDMM Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1C ZINC000485397240 856443168 /nfs/dbraw/zinc/44/31/68/856443168.db2.gz SZVTWJHJNWOUHX-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc(NC[C@@H](c2ccccc2Cl)N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574992247 858486704 /nfs/dbraw/zinc/48/67/04/858486704.db2.gz BHMHZWGPHSJFDT-INIZCTEOSA-N -1 1 377.828 3.970 20 5 GHBDMM Cc1c(=O)[n-]c(SCCOc2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000185050604 859066869 /nfs/dbraw/zinc/06/68/69/859066869.db2.gz UJQBWECDXXEGDO-UHFFFAOYSA-N -1 1 383.429 3.825 20 5 GHBDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)cc2O1 ZINC000785484689 859615391 /nfs/dbraw/zinc/61/53/91/859615391.db2.gz BYLWBOCBKBEHQA-QGZVFWFLSA-N -1 1 396.396 3.741 20 5 GHBDMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000466478265 859665523 /nfs/dbraw/zinc/66/55/23/859665523.db2.gz YMLOCFPPEQJRHE-UHFFFAOYSA-N -1 1 392.433 3.614 20 5 GHBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000765530257 860084947 /nfs/dbraw/zinc/08/49/47/860084947.db2.gz QGBCWTAPVQPIRU-INIZCTEOSA-N -1 1 385.416 3.858 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1Cl ZINC000728062781 860361012 /nfs/dbraw/zinc/36/10/12/860361012.db2.gz STBYWHUDQQJWKO-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC001212187786 860916196 /nfs/dbraw/zinc/91/61/96/860916196.db2.gz HEYGAJAIIUJZPT-SFHVURJKSA-N -1 1 394.880 3.938 20 5 GHBDMM CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738191 861117830 /nfs/dbraw/zinc/11/78/30/861117830.db2.gz ORNKFZVNTZFIJN-MSOLQXFVSA-N -1 1 376.453 3.853 20 5 GHBDMM COc1ccc(Sc2nsc([N-]C(=O)c3csc([N+](=O)[O-])c3)n2)cc1 ZINC000475075415 863977767 /nfs/dbraw/zinc/97/77/67/863977767.db2.gz KPEZWHOFKJJYIZ-UHFFFAOYSA-N -1 1 394.459 3.920 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCCC1 ZINC000742276853 867164763 /nfs/dbraw/zinc/16/47/63/867164763.db2.gz LLCOOCGGBCBMLN-QGZVFWFLSA-N -1 1 375.450 3.590 20 5 GHBDMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000509706890 867324751 /nfs/dbraw/zinc/32/47/51/867324751.db2.gz CICXZPWNGBETCI-UHFFFAOYSA-N -1 1 382.869 3.813 20 5 GHBDMM O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc([O-])cc4Cl)no3)cn2)cc1 ZINC000445444523 868457542 /nfs/dbraw/zinc/45/75/42/868457542.db2.gz GMBHMNWIIFDVGD-UHFFFAOYSA-N -1 1 383.751 3.857 20 5 GHBDMM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001192553396 870470641 /nfs/dbraw/zinc/47/06/41/870470641.db2.gz UGDNXQIRUXXJHT-HNNXBMFYSA-N -1 1 382.869 3.938 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)c(Cl)c1 ZINC001192634162 870580319 /nfs/dbraw/zinc/58/03/19/870580319.db2.gz DRPFIPVHSSLHED-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1Cl ZINC001195024204 872107939 /nfs/dbraw/zinc/10/79/39/872107939.db2.gz STVIOOQIOCRLOO-PSOPSSQASA-N -1 1 399.255 3.518 20 5 GHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C(F)(F)F)c(O)c1 ZINC000619582678 872770619 /nfs/dbraw/zinc/77/06/19/872770619.db2.gz HIDGIRAVXOATRI-UHFFFAOYSA-N -1 1 376.674 3.931 20 5 GHBDMM COc1ccc2oc([C@@H](C)[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c(C)c2c1 ZINC000768838995 873619824 /nfs/dbraw/zinc/61/98/24/873619824.db2.gz ZQHIDNDIZLRMHY-SNVBAGLBSA-N -1 1 396.446 3.759 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000769048693 873760296 /nfs/dbraw/zinc/76/02/96/873760296.db2.gz LVRVYRSVJPXKDP-QMMMGPOBSA-N -1 1 399.186 3.791 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc([N+](=O)[O-])c1F ZINC000180068698 878465346 /nfs/dbraw/zinc/46/53/46/878465346.db2.gz FJJKIUHXTBWVIU-UHFFFAOYSA-N -1 1 392.412 3.774 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000530887819 878729592 /nfs/dbraw/zinc/72/95/92/878729592.db2.gz OQPNIEUKXWCQOT-UHFFFAOYSA-N -1 1 384.373 3.532 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1OC(C)C ZINC000760525294 883238239 /nfs/dbraw/zinc/23/82/39/883238239.db2.gz PQEFYGIGKQLQNB-UHFFFAOYSA-N -1 1 398.412 3.639 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C3CCOCC3)ns2)cc1Cl ZINC000863266126 886980714 /nfs/dbraw/zinc/98/07/14/886980714.db2.gz DKDMMWPPYUPVCC-UHFFFAOYSA-N -1 1 382.829 3.554 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Cl)cc1Cl ZINC000809844359 887860919 /nfs/dbraw/zinc/86/09/19/887860919.db2.gz YAIRJBXPCBLTIL-ZETCQYMHSA-N -1 1 389.207 3.615 20 5 GHBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000809932536 887983292 /nfs/dbraw/zinc/98/32/92/887983292.db2.gz SXBVZFSVZFGJKK-UHFFFAOYSA-N -1 1 381.300 3.579 20 5 GHBDMM COc1cccc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)c1[N+](=O)[O-] ZINC000194372742 888278829 /nfs/dbraw/zinc/27/88/29/888278829.db2.gz AKPNCBXPVXMBEL-UHFFFAOYSA-N -1 1 384.417 3.991 20 5 GHBDMM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000917717388 892424445 /nfs/dbraw/zinc/42/44/45/892424445.db2.gz XQPAHALUMYGIRL-UHFFFAOYSA-N -1 1 382.413 3.960 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C(C)C)c(F)c1 ZINC000917746790 892498429 /nfs/dbraw/zinc/49/84/29/892498429.db2.gz OJKWSHAUHASWFL-UHFFFAOYSA-N -1 1 381.429 3.688 20 5 GHBDMM O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917985600 892901792 /nfs/dbraw/zinc/90/17/92/892901792.db2.gz YNFSTUDOHVCINB-UHFFFAOYSA-N -1 1 380.408 3.550 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000815015558 893340918 /nfs/dbraw/zinc/34/09/18/893340918.db2.gz JNUCKZNAQITCNG-LLVKDONJSA-N -1 1 388.829 3.513 20 5 GHBDMM O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000815219336 893571267 /nfs/dbraw/zinc/57/12/67/893571267.db2.gz JLPHQRPKBMFVOV-UHFFFAOYSA-N -1 1 386.238 3.584 20 5 GHBDMM CC(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC001185832582 914109324 /nfs/dbraw/zinc/10/93/24/914109324.db2.gz BSEIVAAGQWSXTO-UHFFFAOYSA-N -1 1 386.832 3.989 20 5 GHBDMM COc1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)c([N+](=O)[O-])cc1F ZINC000822686625 898561318 /nfs/dbraw/zinc/56/13/18/898561318.db2.gz UBMDHDFCJQVUDM-UHFFFAOYSA-N -1 1 380.401 3.894 20 5 GHBDMM CCC(CC)c1nnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)s1 ZINC000822685780 898562880 /nfs/dbraw/zinc/56/28/80/898562880.db2.gz ATMTVULTNSRCKU-UHFFFAOYSA-N -1 1 395.416 3.700 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC001186278700 914418575 /nfs/dbraw/zinc/41/85/75/914418575.db2.gz PSABMRONDGKMBU-AWEZNQCLSA-N -1 1 399.428 3.822 20 5 GHBDMM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(Br)c([O-])c1 ZINC000778827615 900253088 /nfs/dbraw/zinc/25/30/88/900253088.db2.gz AGWOZTDXQFUWSS-UHFFFAOYSA-N -1 1 393.149 3.561 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000778891209 901102743 /nfs/dbraw/zinc/10/27/43/901102743.db2.gz BLAYRKNRVVCLRS-UHFFFAOYSA-N -1 1 395.314 3.504 20 5 GHBDMM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001147968177 903923002 /nfs/dbraw/zinc/92/30/02/903923002.db2.gz HZSZWIZGCPLFFM-MRXNPFEDSA-N -1 1 395.419 3.603 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795381181 910118764 /nfs/dbraw/zinc/11/87/64/910118764.db2.gz NRFJDLRUTXESIA-VIFPVBQESA-N -1 1 388.804 3.550 20 5 GHBDMM CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000780072643 921584239 /nfs/dbraw/zinc/58/42/39/921584239.db2.gz RLDISSRPXSAJHW-INIZCTEOSA-N -1 1 392.795 3.774 20 5 GHBDMM Cc1ccsc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br ZINC000775208772 916279428 /nfs/dbraw/zinc/27/94/28/916279428.db2.gz MOWUNLSZGAFWAS-UHFFFAOYSA-N -1 1 377.241 3.528 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001190200956 917195388 /nfs/dbraw/zinc/19/53/88/917195388.db2.gz FKUKFKGTYJQGSP-UHFFFAOYSA-N -1 1 396.428 3.797 20 5 GHBDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000116109656 919497946 /nfs/dbraw/zinc/49/79/46/919497946.db2.gz DUFPNBMVOQAFKY-QMMMGPOBSA-N -1 1 391.286 3.547 20 5 GHBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780992230 930664586 /nfs/dbraw/zinc/66/45/86/930664586.db2.gz OKNIJJMPXFGUQQ-UHFFFAOYSA-N -1 1 382.825 3.945 20 5 GHBDMM O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1ccc(F)cc1F ZINC001350611469 962553418 /nfs/dbraw/zinc/55/34/18/962553418.db2.gz SZIRXMPFXJOXRA-LSDHHAIUSA-N -1 1 396.777 3.827 20 5 GHBDMM CC[C@@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc([N+](=O)[O-])c1 ZINC001593607751 970121652 /nfs/dbraw/zinc/12/16/52/970121652.db2.gz XZQYVDYCBPCRDB-CRAIPNDOSA-N -1 1 387.436 3.730 20 5 GHBDMM CC(C)(C)Oc1ccccc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001590420107 989962913 /nfs/dbraw/zinc/96/29/13/989962913.db2.gz NGIFCILHXOTBKX-UHFFFAOYSA-N -1 1 388.420 3.525 20 5 GHBDMM CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598442041 991857846 /nfs/dbraw/zinc/85/78/46/991857846.db2.gz LFTOEELMGOKHQM-HOCLYGCPSA-N -1 1 399.230 3.693 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1CN[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599461861 998287346 /nfs/dbraw/zinc/28/73/46/998287346.db2.gz DVGAOAVPTQGTFC-QGZVFWFLSA-N -1 1 399.230 4.000 20 5 GHBDMM O=c1c2cc(OC[C@H]3Cc4ccccc4O3)c([O-])cc2oc2cccc(O)c12 ZINC001227307483 1032364941 /nfs/dbraw/zinc/36/49/41/1032364941.db2.gz WVGWAZOMPOLBCY-CYBMUJFWSA-N -1 1 376.364 3.740 20 5 GHBDMM CC[C@@H](CC(=O)OC)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227703839 1032523855 /nfs/dbraw/zinc/52/38/55/1032523855.db2.gz XPQJPNFRQILHPL-HNNXBMFYSA-N -1 1 387.388 3.560 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000563776936 1018956442 /nfs/dbraw/zinc/95/64/42/1018956442.db2.gz JTKFFGRGTLIYHK-UHFFFAOYSA-N -1 1 382.850 3.941 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000725828378 1022384896 /nfs/dbraw/zinc/38/48/96/1022384896.db2.gz DELRBFUVAHJWPZ-UHFFFAOYSA-N -1 1 376.821 3.880 20 5 GHBDMM COc1cccc(OC[C@@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])c1 ZINC001228860312 1033143148 /nfs/dbraw/zinc/14/31/48/1033143148.db2.gz SUKROVQDXYEZHF-SECBINFHSA-N -1 1 388.298 3.569 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001228860206 1033143251 /nfs/dbraw/zinc/14/32/51/1033143251.db2.gz QZVXFQJUAMDSOP-NSHDSACASA-N -1 1 397.309 3.676 20 5 GHBDMM CC(F)(F)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000831683705 1024739233 /nfs/dbraw/zinc/73/92/33/1024739233.db2.gz ZZJLHARUQHTTKZ-UHFFFAOYSA-N -1 1 377.196 3.615 20 5 GHBDMM O=[N+]([O-])c1ccc([C@@H]2CCCN(Cn3[n-]c(-c4ccccn4)nc3=S)C2)cc1 ZINC000840126636 1027252348 /nfs/dbraw/zinc/25/23/48/1027252348.db2.gz PZDFANWNOVODCL-OAHLLOKOSA-N -1 1 396.476 3.748 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCC[C@H]23)c1Cl ZINC001213555695 1028264964 /nfs/dbraw/zinc/26/49/64/1028264964.db2.gz AWXMSDSQQAZDQN-ATZCPNFKSA-N -1 1 379.265 3.759 20 5 GHBDMM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001151754249 1030992532 /nfs/dbraw/zinc/99/25/32/1030992532.db2.gz UAHAILULPLCKDX-UHFFFAOYSA-N -1 1 384.175 3.818 20 5 GHBDMM O=C(Nc1cc(Cl)cc(Br)c1O)c1cccc([N+](=O)[O-])c1[O-] ZINC001153045109 1031440589 /nfs/dbraw/zinc/44/05/89/1031440589.db2.gz LGSBSOJCKYNLOQ-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001229257910 1033371571 /nfs/dbraw/zinc/37/15/71/1033371571.db2.gz BPEWPPMMXLFBLF-NRFANRHFSA-N -1 1 378.384 3.609 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229804831 1033729744 /nfs/dbraw/zinc/72/97/44/1033729744.db2.gz FLLMMDQVADALPC-TZMCWYRMSA-N -1 1 398.411 3.858 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229806506 1033731571 /nfs/dbraw/zinc/73/15/71/1033731571.db2.gz VCPILHAIAZIJFB-GXTWGEPZSA-N -1 1 398.411 3.858 20 5 GHBDMM Cc1ccc(Oc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001160759107 1035059989 /nfs/dbraw/zinc/05/99/89/1035059989.db2.gz JUUUCQQMSRFTCN-UHFFFAOYSA-N -1 1 379.372 3.726 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)cc1Cl ZINC001209628946 1035336515 /nfs/dbraw/zinc/33/65/15/1035336515.db2.gz FBLMZRAQULASMI-OAHLLOKOSA-N -1 1 398.843 3.687 20 5 GHBDMM CC(C)OC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CC1 ZINC001233500279 1039393356 /nfs/dbraw/zinc/39/33/56/1039393356.db2.gz QUXCCSGARXFIGZ-UHFFFAOYSA-N -1 1 382.804 3.513 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H]4CCc5cccnc54)cc([O-])cc3oc21 ZINC001234750368 1040276977 /nfs/dbraw/zinc/27/69/77/1040276977.db2.gz ZCSAHVZSEMTXOW-HNNXBMFYSA-N -1 1 391.379 3.827 20 5 GHBDMM C[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ccncc1F ZINC001234750691 1040278275 /nfs/dbraw/zinc/27/82/75/1040278275.db2.gz MXWGIXIPDWZOCG-VIFPVBQESA-N -1 1 383.331 3.737 20 5 GHBDMM CC1(C)CCc2c(c(O)cc3oc4cc([O-])cc(OC5CC(=O)C5)c4c(=O)c32)O1 ZINC001234799741 1040331016 /nfs/dbraw/zinc/33/10/16/1040331016.db2.gz UGBNWGGHIFQBRQ-UHFFFAOYSA-N -1 1 396.395 3.571 20 5 GHBDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234874813 1040388352 /nfs/dbraw/zinc/38/83/52/1040388352.db2.gz CXNRSUYXQDILQG-QMMMGPOBSA-N -1 1 376.203 3.562 20 5 GHBDMM CCOC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c([O-])c1 ZINC001295837477 1045161132 /nfs/dbraw/zinc/16/11/32/1045161132.db2.gz ZHTBGZXDQPJESN-UHFFFAOYSA-N -1 1 398.293 3.748 20 5 GHBDMM COc1ccccc1C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC001318882691 1054932836 /nfs/dbraw/zinc/93/28/36/1054932836.db2.gz VKDWWCWSFHZPOT-UHFFFAOYSA-N -1 1 396.852 3.615 20 5 GHBDMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC001545945579 1058902199 /nfs/dbraw/zinc/90/21/99/1058902199.db2.gz ZIHQUBZRLVGZLB-UHFFFAOYSA-N -1 1 381.373 3.553 20 5 GHBDMM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447290048 1059944290 /nfs/dbraw/zinc/94/42/90/1059944290.db2.gz VDPRVNKREZTCLZ-UHFFFAOYSA-N -1 1 384.175 3.818 20 5 GHBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001456198578 1062550006 /nfs/dbraw/zinc/55/00/06/1062550006.db2.gz SVFMWQGXUUUTFN-UHFFFAOYSA-N -1 1 382.388 3.663 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC001351384483 1064421808 /nfs/dbraw/zinc/42/18/08/1064421808.db2.gz MOPNOOAAILZZSD-INIZCTEOSA-N -1 1 399.831 3.602 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c(Cl)cc1Cl ZINC001463635279 1064515841 /nfs/dbraw/zinc/51/58/41/1064515841.db2.gz RUGMXSIJDIEHCL-MFKMUULPSA-N -1 1 387.244 3.736 20 5 GHBDMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1F ZINC001463795629 1064623862 /nfs/dbraw/zinc/62/38/62/1064623862.db2.gz PBXIHWAHPRIUDL-SECBINFHSA-N -1 1 390.795 3.874 20 5 GHBDMM Cc1cc(F)cc(C(=O)[N-]c2n[nH]c(-c3ccc4ccccc4n3)n2)c1[N+](=O)[O-] ZINC001468317103 1067682855 /nfs/dbraw/zinc/68/28/55/1067682855.db2.gz YQGBHSJIXIXFGD-UHFFFAOYSA-N -1 1 392.350 3.628 20 5 GHBDMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001470669768 1072679187 /nfs/dbraw/zinc/67/91/87/1072679187.db2.gz NOWSBKJHNKRQFB-UHFFFAOYSA-N -1 1 378.388 3.547 20 5 GHBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Oc1ccccc1 ZINC001472501073 1073517311 /nfs/dbraw/zinc/51/73/11/1073517311.db2.gz VBWQGVIALAVCNY-ZDUSSCGKSA-N -1 1 379.372 3.979 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccc3ncsc3c2)cc1F ZINC001475214807 1074789644 /nfs/dbraw/zinc/78/96/44/1074789644.db2.gz IIVSDZNCWANLFF-JTQLQIEISA-N -1 1 395.437 3.692 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2)cc1F ZINC001475487896 1074892492 /nfs/dbraw/zinc/89/24/92/1074892492.db2.gz WKCCTMROODTTSU-UHFFFAOYSA-N -1 1 393.223 3.828 20 5 GHBDMM O=[N+]([O-])c1ncccc1NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738375006 598854924 /nfs/dbraw/zinc/85/49/24/598854924.db2.gz XOWAPLIVACWUJV-UHFFFAOYSA-N -1 1 379.405 3.511 20 5 GHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824657185 607450135 /nfs/dbraw/zinc/45/01/35/607450135.db2.gz PKGHYTDBUHIGSF-VIFPVBQESA-N -1 1 389.213 3.711 20 5 GHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000824657185 607450137 /nfs/dbraw/zinc/45/01/37/607450137.db2.gz PKGHYTDBUHIGSF-VIFPVBQESA-N -1 1 389.213 3.711 20 5 GHBDMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000511261133 834885902 /nfs/dbraw/zinc/88/59/02/834885902.db2.gz WDANGYZGSQLGEZ-UHFFFAOYSA-N -1 1 380.422 3.583 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000179644230 835915851 /nfs/dbraw/zinc/91/58/51/835915851.db2.gz LSJBWRZRUMRQKT-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603878307 861310437 /nfs/dbraw/zinc/31/04/37/861310437.db2.gz SNNBCFUMWYMWBX-NSHDSACASA-N -1 1 384.417 3.810 20 5 GHBDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2C)n1 ZINC000150799200 842931732 /nfs/dbraw/zinc/93/17/32/842931732.db2.gz FZMGGVKHKRFMGW-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)[nH]n2)c1 ZINC000610662965 843451982 /nfs/dbraw/zinc/45/19/82/843451982.db2.gz JXMAXMWPZTYNER-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000479289905 847586740 /nfs/dbraw/zinc/58/67/40/847586740.db2.gz VWCMLPBNOIVGJG-UHFFFAOYSA-N -1 1 383.838 3.967 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000604432215 862202963 /nfs/dbraw/zinc/20/29/63/862202963.db2.gz BLVKKDWCHJXBIF-CYBMUJFWSA-N -1 1 387.244 3.867 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000604432216 862203094 /nfs/dbraw/zinc/20/30/94/862203094.db2.gz BLVKKDWCHJXBIF-ZDUSSCGKSA-N -1 1 387.244 3.867 20 5 GHBDMM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000489288665 852196350 /nfs/dbraw/zinc/19/63/50/852196350.db2.gz HJUFDOTYOUPOLG-NSHDSACASA-N -1 1 390.827 3.843 20 5 GHBDMM COc1ccc([C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426828651 852441977 /nfs/dbraw/zinc/44/19/77/852441977.db2.gz ZGYPBOICRFJAKQ-GOSISDBHSA-N -1 1 376.384 3.781 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1C ZINC000427309778 852969555 /nfs/dbraw/zinc/96/95/55/852969555.db2.gz VYXUWWZXCZTJGX-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029389029 853051337 /nfs/dbraw/zinc/05/13/37/853051337.db2.gz QAQLDWSBCLSADL-UHFFFAOYSA-N -1 1 392.297 3.728 20 5 GHBDMM Cc1ccc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)cc1[N+](=O)[O-] ZINC000029508525 853147679 /nfs/dbraw/zinc/14/76/79/853147679.db2.gz ZKSPXANNUMJDGB-UHFFFAOYSA-N -1 1 375.435 3.525 20 5 GHBDMM C[C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000517091251 853352659 /nfs/dbraw/zinc/35/26/59/853352659.db2.gz TYDVGXKFPLDNNW-XJKSGUPXSA-N -1 1 375.450 3.996 20 5 GHBDMM C[C@@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000519680923 853366283 /nfs/dbraw/zinc/36/62/83/853366283.db2.gz SHELAAOLKHELMU-SECBINFHSA-N -1 1 376.825 3.864 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481956042 862548649 /nfs/dbraw/zinc/54/86/49/862548649.db2.gz KDTDLMMHZANVQD-UHFFFAOYSA-N -1 1 380.397 3.774 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c1 ZINC000542714804 855534191 /nfs/dbraw/zinc/53/41/91/855534191.db2.gz XNTZYGHLZSXZHC-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184824405 856400380 /nfs/dbraw/zinc/40/03/80/856400380.db2.gz HZYZPZKMNNBMHR-UHFFFAOYSA-N -1 1 393.808 3.606 20 5 GHBDMM CSc1cccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1[N+](=O)[O-] ZINC000485523973 856718293 /nfs/dbraw/zinc/71/82/93/856718293.db2.gz WJVOQYDZZCVTTJ-UHFFFAOYSA-N -1 1 378.357 3.525 20 5 GHBDMM O=C(CSc1c(Cl)cccc1Cl)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000783498273 856754738 /nfs/dbraw/zinc/75/47/38/856754738.db2.gz BSSLNWLBUCPJPP-UHFFFAOYSA-N -1 1 385.228 3.950 20 5 GHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000175245392 857472375 /nfs/dbraw/zinc/47/23/75/857472375.db2.gz ZIHOOKYIPVHZKZ-UHFFFAOYSA-N -1 1 387.136 3.896 20 5 GHBDMM CCOc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000484234210 859890936 /nfs/dbraw/zinc/89/09/36/859890936.db2.gz KMPFSPZOONLDPU-IBGZPJMESA-N -1 1 393.399 3.614 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000598453241 860320010 /nfs/dbraw/zinc/32/00/10/860320010.db2.gz QOIIYFUAFJMXSC-LLVKDONJSA-N -1 1 397.353 3.808 20 5 GHBDMM CN(CCCOc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740397 861151305 /nfs/dbraw/zinc/15/13/05/861151305.db2.gz LPPBEZTUJGYDTD-UHFFFAOYSA-N -1 1 378.812 3.847 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000444058920 863235670 /nfs/dbraw/zinc/23/56/70/863235670.db2.gz RDYRZBQZHIRVJU-UHFFFAOYSA-N -1 1 389.477 3.690 20 5 GHBDMM Cc1c(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cccc1[N+](=O)[O-] ZINC000480867197 865413683 /nfs/dbraw/zinc/41/36/83/865413683.db2.gz LIYREUKIKOKCJI-UHFFFAOYSA-N -1 1 381.262 3.750 20 5 GHBDMM COc1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc(Cl)c1[O-] ZINC000456142496 866148650 /nfs/dbraw/zinc/14/86/50/866148650.db2.gz NLKSQNAFLLODDE-ZDUSSCGKSA-N -1 1 390.823 3.982 20 5 GHBDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000479134390 867199623 /nfs/dbraw/zinc/19/96/23/867199623.db2.gz UEDRBTFBNLBAHC-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000742346869 867243773 /nfs/dbraw/zinc/24/37/73/867243773.db2.gz LKMJVROVGIJTDE-SECBINFHSA-N -1 1 390.795 3.608 20 5 GHBDMM CCOc1cc(-c2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)cc(Cl)c1[O-] ZINC000445410478 868367306 /nfs/dbraw/zinc/36/73/06/868367306.db2.gz FHGCCFHSUIEMGI-UHFFFAOYSA-N -1 1 393.787 3.916 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000535394089 868708400 /nfs/dbraw/zinc/70/84/00/868708400.db2.gz JYIPGVYCJBLIEA-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000538790968 870658491 /nfs/dbraw/zinc/65/84/91/870658491.db2.gz ZYLMJVFZCPKSGP-UHFFFAOYSA-N -1 1 389.240 3.706 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2CCC3(CC3)CC2)cc1Cl ZINC001193163500 870929235 /nfs/dbraw/zinc/92/92/35/870929235.db2.gz YCVSYZRTVWPKJE-UHFFFAOYSA-N -1 1 376.837 3.636 20 5 GHBDMM COc1ccc(C2CC2)cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001194243117 871582567 /nfs/dbraw/zinc/58/25/67/871582567.db2.gz TTZATNPCFKJPIO-UHFFFAOYSA-N -1 1 396.852 3.613 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC000619468052 872663896 /nfs/dbraw/zinc/66/38/96/872663896.db2.gz UINIXNSAQISZMU-UHFFFAOYSA-N -1 1 392.767 3.995 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1[N+](=O)[O-] ZINC000491720944 875917494 /nfs/dbraw/zinc/91/74/94/875917494.db2.gz PNRNJDPQWSNLFQ-UHFFFAOYSA-N -1 1 388.449 3.943 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000450997363 877172282 /nfs/dbraw/zinc/17/22/82/877172282.db2.gz XLKIGRBQCRDDIP-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175537303 877273215 /nfs/dbraw/zinc/27/32/15/877273215.db2.gz JDQQYMCTAFMVRG-UHFFFAOYSA-N -1 1 384.117 3.657 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]c1-c1ccccc1 ZINC000493036510 878091672 /nfs/dbraw/zinc/09/16/72/878091672.db2.gz WAZLRUSFJCBSLU-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000789738131 879254565 /nfs/dbraw/zinc/25/45/65/879254565.db2.gz QXUZEBJZMDOAGX-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1 ZINC000790102261 879467895 /nfs/dbraw/zinc/46/78/95/879467895.db2.gz OVVSXZMZYDWCHO-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c1F ZINC000790514745 879785833 /nfs/dbraw/zinc/78/58/33/879785833.db2.gz GNEXNYVKWBEWFC-UHFFFAOYSA-N -1 1 376.344 3.952 20 5 GHBDMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001212316397 880058355 /nfs/dbraw/zinc/05/83/55/880058355.db2.gz DFQZHZHHVBKDOM-VIFPVBQESA-N -1 1 399.296 3.631 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2F)c(Cl)cc1Cl ZINC000791419107 880397591 /nfs/dbraw/zinc/39/75/91/880397591.db2.gz VWTPISYSAOAMSW-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000919953120 881242233 /nfs/dbraw/zinc/24/22/33/881242233.db2.gz GLNRBJSIDUXARV-GDBMZVCRSA-N -1 1 378.425 3.739 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000609872077 883758188 /nfs/dbraw/zinc/75/81/88/883758188.db2.gz XIDRVOVQOVCYRI-SNVBAGLBSA-N -1 1 382.825 3.681 20 5 GHBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000475838856 885044514 /nfs/dbraw/zinc/04/45/14/885044514.db2.gz WMSILEQDFVTRKA-UHFFFAOYSA-N -1 1 382.825 3.950 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c1Cl ZINC000809390227 887365304 /nfs/dbraw/zinc/36/53/04/887365304.db2.gz JVTRZPPJGQKAMN-SNVBAGLBSA-N -1 1 391.232 3.851 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccncc1 ZINC000809393804 887394136 /nfs/dbraw/zinc/39/41/36/887394136.db2.gz FSFUYCZZBYAFRG-NSHDSACASA-N -1 1 390.248 3.726 20 5 GHBDMM COC(=O)c1ccc(OC(=O)c2cc3cc(Cl)sc3[n-]2)cc1[N+](=O)[O-] ZINC000810677207 888766091 /nfs/dbraw/zinc/76/60/91/888766091.db2.gz HQNPEISFRDSNEL-UHFFFAOYSA-N -1 1 380.765 3.797 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000216820079 892333720 /nfs/dbraw/zinc/33/37/20/892333720.db2.gz MUISFOIVDGQFKP-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)s1 ZINC000064244717 892434769 /nfs/dbraw/zinc/43/47/69/892434769.db2.gz AXNUPGJJKDKJHU-SNVBAGLBSA-N -1 1 390.895 3.825 20 5 GHBDMM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600838127 902985382 /nfs/dbraw/zinc/98/53/82/902985382.db2.gz AOTJNDGYWIAIPQ-UHFFFAOYSA-N -1 1 383.326 3.765 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC(F)(F)CC1 ZINC000795270458 909633581 /nfs/dbraw/zinc/63/35/81/909633581.db2.gz GGWDBAUNJBJFKZ-UHFFFAOYSA-N -1 1 397.403 3.631 20 5 GHBDMM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000726977792 926968300 /nfs/dbraw/zinc/96/83/00/926968300.db2.gz WYWQQCZZGINKKE-UHFFFAOYSA-N -1 1 393.852 3.559 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Br ZINC000757921884 929856867 /nfs/dbraw/zinc/85/68/67/929856867.db2.gz WCXITMRHZXWURN-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2F)C1 ZINC000797839673 932426317 /nfs/dbraw/zinc/42/63/17/932426317.db2.gz PAZPTKOEJWDWIV-UMSPYCQHSA-N -1 1 384.816 3.612 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000777935861 934231167 /nfs/dbraw/zinc/23/11/67/934231167.db2.gz UADJHOHBJYLCIH-UHFFFAOYSA-N -1 1 392.330 3.948 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000829708221 935849409 /nfs/dbraw/zinc/84/94/09/935849409.db2.gz ILEKEXLEPHRSSF-UHFFFAOYSA-N -1 1 388.808 3.569 20 5 GHBDMM C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])N1CCc2ccccc2C1 ZINC001592722225 979223389 /nfs/dbraw/zinc/22/33/89/979223389.db2.gz JMMHLQHFAGFFME-LBPRGKRZSA-N -1 1 389.839 3.805 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC001210319016 1027446728 /nfs/dbraw/zinc/44/67/28/1027446728.db2.gz HHAWRMWIWAKSLV-ZWNOBZJWSA-N -1 1 376.837 3.634 20 5 GHBDMM Cc1nc(O[C@H]2CCCc3ccc(Br)cc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377341 1033446226 /nfs/dbraw/zinc/44/62/26/1033446226.db2.gz BLYHYISWWDTWID-LBPRGKRZSA-N -1 1 380.198 3.618 20 5 GHBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC001229396860 1033456435 /nfs/dbraw/zinc/45/64/35/1033456435.db2.gz ZUVINSMZIFIGRG-CQSZACIVSA-N -1 1 379.210 3.721 20 5 GHBDMM CC(C)CCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234743112 1040271100 /nfs/dbraw/zinc/27/11/00/1040271100.db2.gz YVBWJVJBKXYXEP-LBPRGKRZSA-N -1 1 386.400 3.714 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC3CN(Cc4ccccc4)C3)c12 ZINC001234747221 1040272588 /nfs/dbraw/zinc/27/25/88/1040272588.db2.gz JEKVYPTZIYAJNW-UHFFFAOYSA-N -1 1 389.407 3.621 20 5 GHBDMM COC(=O)CC1CCC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234874546 1040387265 /nfs/dbraw/zinc/38/72/65/1040387265.db2.gz KZUMVRZOYPKPBY-UHFFFAOYSA-N -1 1 388.214 3.564 20 5 GHBDMM O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC001299933150 1046097860 /nfs/dbraw/zinc/09/78/60/1046097860.db2.gz KMBUWTRHXHYCJT-UHFFFAOYSA-N -1 1 376.237 3.527 20 5 GHBDMM O=C([N-]c1nnc(-c2c(F)cccc2F)s1)c1ccc([N+](=O)[O-])cc1F ZINC001302226738 1046883246 /nfs/dbraw/zinc/88/32/46/1046883246.db2.gz LEZCXNJONZRDDQ-UHFFFAOYSA-N -1 1 380.307 3.783 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c(F)c1 ZINC001307190560 1049129031 /nfs/dbraw/zinc/12/90/31/1049129031.db2.gz VVZFEMRPVHLIEU-UHFFFAOYSA-N -1 1 383.782 3.554 20 5 GHBDMM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC001309699186 1050925990 /nfs/dbraw/zinc/92/59/90/1050925990.db2.gz YUWWRWJYKMXECG-HNNXBMFYSA-N -1 1 399.419 3.635 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001309854542 1051006766 /nfs/dbraw/zinc/00/67/66/1051006766.db2.gz BMHFKNFOFOTWNC-UHFFFAOYSA-N -1 1 390.795 3.740 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)c(Cl)cc1Cl ZINC001475524368 1052107184 /nfs/dbraw/zinc/10/71/84/1052107184.db2.gz IPWHJTVGBGKSJR-KXUCPTDWSA-N -1 1 379.265 3.616 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC001463818488 1064645056 /nfs/dbraw/zinc/64/50/56/1064645056.db2.gz QDANREBWYOUWGQ-OAHLLOKOSA-N -1 1 387.442 3.606 20 5 GHBDMM CC(C)Cc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001464138078 1064850821 /nfs/dbraw/zinc/85/08/21/1064850821.db2.gz XJQNNXCIOFPSCI-UHFFFAOYSA-N -1 1 382.869 3.925 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)cc1F ZINC001464181790 1064892611 /nfs/dbraw/zinc/89/26/11/1064892611.db2.gz YCBVCJMVSSSVRG-AWEZNQCLSA-N -1 1 384.816 3.662 20 5 GHBDMM C[C@H](COCC1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001464589539 1065099164 /nfs/dbraw/zinc/09/91/64/1065099164.db2.gz WEESGICNOMDCRA-GFCCVEGCSA-N -1 1 390.889 3.512 20 5 GHBDMM O=C([N-]c1ccc2c(n1)CCCC2=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001460096187 1068780831 /nfs/dbraw/zinc/78/08/31/1068780831.db2.gz YOMFQNSMAPSXOC-UHFFFAOYSA-N -1 1 396.222 3.585 20 5 GHBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccc(O)cc2c1[O-] ZINC001546202828 1074521415 /nfs/dbraw/zinc/52/14/15/1074521415.db2.gz WROCOXBOKAXVOM-UHFFFAOYSA-N -1 1 386.791 3.785 20 5 GHBDMM CC(=O)CCCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001475434365 1074873955 /nfs/dbraw/zinc/87/39/55/1074873955.db2.gz OPCVIVHNOSYZMC-UHFFFAOYSA-N -1 1 397.280 3.719 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC001475516573 1074902569 /nfs/dbraw/zinc/90/25/69/1074902569.db2.gz MIVYYOZACJTJOL-LLVKDONJSA-N -1 1 396.852 3.613 20 5 GHBDMM CCSc1ccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001475624040 1074929554 /nfs/dbraw/zinc/92/95/54/1074929554.db2.gz UUYDWPTWMFBLIH-UHFFFAOYSA-N -1 1 384.454 3.633 20 5 GHBDMM Cc1cc([N+](=O)[O-])cnc1NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737284705 598853931 /nfs/dbraw/zinc/85/39/31/598853931.db2.gz LQVHQVXMMWXFIP-UHFFFAOYSA-N -1 1 393.432 3.819 20 5 GHBDMM C[C@H](CN(Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(=O)[O-] ZINC000736583913 601088938 /nfs/dbraw/zinc/08/89/38/601088938.db2.gz NCHHSGVBKQBNDI-MRXNPFEDSA-N -1 1 394.431 3.639 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1c(Cl)cccc1Cl ZINC000823630290 606705927 /nfs/dbraw/zinc/70/59/27/606705927.db2.gz WCDPSKRPCHJJOA-UHFFFAOYSA-N -1 1 383.220 3.769 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SCc1c(Cl)cccc1Cl ZINC000823630290 606705929 /nfs/dbraw/zinc/70/59/29/606705929.db2.gz WCDPSKRPCHJJOA-UHFFFAOYSA-N -1 1 383.220 3.769 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000186884723 834680528 /nfs/dbraw/zinc/68/05/28/834680528.db2.gz ZMNMSCLJRGBZRQ-UHFFFAOYSA-N -1 1 381.310 3.519 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000179643698 835915916 /nfs/dbraw/zinc/91/59/16/835915916.db2.gz HHWRFNQCRGAFNJ-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000613455592 836415244 /nfs/dbraw/zinc/41/52/44/836415244.db2.gz OGWCEJAGBKJPAW-UHFFFAOYSA-N -1 1 398.853 3.809 20 5 GHBDMM CC(C)Sc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610263055 836889585 /nfs/dbraw/zinc/88/95/85/836889585.db2.gz MXZOAZOSGGRQAS-GFCCVEGCSA-N -1 1 381.479 3.530 20 5 GHBDMM CCC(CC)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610262461 836918891 /nfs/dbraw/zinc/91/88/91/836918891.db2.gz JNXUZZGZLGLIJA-UHFFFAOYSA-N -1 1 397.884 3.680 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c(C)cc1[N+](=O)[O-] ZINC000414447845 838258652 /nfs/dbraw/zinc/25/86/52/838258652.db2.gz YEUWJVHLRCLZRU-UHFFFAOYSA-N -1 1 377.466 3.695 20 5 GHBDMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000175826064 838269170 /nfs/dbraw/zinc/26/91/70/838269170.db2.gz ZOAKDVHNCXBXIB-UHFFFAOYSA-N -1 1 392.202 3.794 20 5 GHBDMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1F ZINC000108208198 841554422 /nfs/dbraw/zinc/55/44/22/841554422.db2.gz JWKOOTYJVHGCHR-UHFFFAOYSA-N -1 1 376.344 3.568 20 5 GHBDMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000055592179 861264162 /nfs/dbraw/zinc/26/41/62/861264162.db2.gz VMNBNGZZNIIENB-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000511908029 842375489 /nfs/dbraw/zinc/37/54/89/842375489.db2.gz NUNNWIDANWKELW-CYBMUJFWSA-N -1 1 387.244 3.867 20 5 GHBDMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc21 ZINC000065069886 843408679 /nfs/dbraw/zinc/40/86/79/843408679.db2.gz UKIILENMFKQTPI-UHFFFAOYSA-N -1 1 389.433 3.769 20 5 GHBDMM CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000504778708 850294995 /nfs/dbraw/zinc/29/49/95/850294995.db2.gz LRCNRVNNCTZUEG-UHFFFAOYSA-N -1 1 388.605 3.990 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1CC(F)(F)C1 ZINC000488445664 851516276 /nfs/dbraw/zinc/51/62/76/851516276.db2.gz JECKEAFEISIIIR-UHFFFAOYSA-N -1 1 397.403 3.853 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000473772620 851902521 /nfs/dbraw/zinc/90/25/21/851902521.db2.gz MEGWNQQSORTZMI-UHFFFAOYSA-N -1 1 376.434 3.726 20 5 GHBDMM COc1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc([N+](=O)[O-])c1O ZINC000436860596 852423711 /nfs/dbraw/zinc/42/37/11/852423711.db2.gz PUEBKAAQEDXPRJ-BQYQJAHWSA-N -1 1 393.355 3.635 20 5 GHBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC000517914660 852598839 /nfs/dbraw/zinc/59/88/39/852598839.db2.gz QNEKZAOHZZEWDW-MRXNPFEDSA-N -1 1 398.868 3.932 20 5 GHBDMM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2N1Cc1ccccc1 ZINC000438607199 852628713 /nfs/dbraw/zinc/62/87/13/852628713.db2.gz JXQKEOUBUMXMNB-HNNXBMFYSA-N -1 1 376.416 3.978 20 5 GHBDMM CSc1cc2c(cc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCCO2 ZINC000505943529 852674736 /nfs/dbraw/zinc/67/47/36/852674736.db2.gz JXXMAKKLTQQILW-UHFFFAOYSA-N -1 1 380.809 3.994 20 5 GHBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473955754 854423915 /nfs/dbraw/zinc/42/39/15/854423915.db2.gz ISVFZPMFUGLEKC-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CC[C@H](F)C1 ZINC000588842419 854543550 /nfs/dbraw/zinc/54/35/50/854543550.db2.gz BIQUUHIGBXBFAL-GXTWGEPZSA-N -1 1 379.413 3.698 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccc3ccccc3n2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000590556911 855474961 /nfs/dbraw/zinc/47/49/61/855474961.db2.gz SIIUUAJMMSRRNG-UHFFFAOYSA-N -1 1 394.778 3.834 20 5 GHBDMM Cc1nc2ccc(S(=O)(=O)[N-]c3c(C)ccc([N+](=O)[O-])c3C)cc2s1 ZINC000427772026 856688955 /nfs/dbraw/zinc/68/89/55/856688955.db2.gz SUURMBDAQSKXSX-UHFFFAOYSA-N -1 1 377.447 3.931 20 5 GHBDMM Cc1nc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301659041 856836558 /nfs/dbraw/zinc/83/65/58/856836558.db2.gz SYXZJIJIYOFDED-UHFFFAOYSA-N -1 1 398.444 3.711 20 5 GHBDMM CC[C@H](CSC)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000552832072 856887260 /nfs/dbraw/zinc/88/72/60/856887260.db2.gz PCWMEVFGYPETSR-CYBMUJFWSA-N -1 1 395.506 3.949 20 5 GHBDMM CCc1cccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1CC ZINC000486084431 857402618 /nfs/dbraw/zinc/40/26/18/857402618.db2.gz WFIBEXIRILIVLC-UHFFFAOYSA-N -1 1 382.413 3.668 20 5 GHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000442240355 857644232 /nfs/dbraw/zinc/64/42/32/857644232.db2.gz WQLZBEJFTMUDNE-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000161582439 857678667 /nfs/dbraw/zinc/67/86/67/857678667.db2.gz XZWIZSFBSBNUHM-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(C(F)(F)F)c1 ZINC000161597342 857831931 /nfs/dbraw/zinc/83/19/31/857831931.db2.gz SNTAZISOUIYWDZ-UHFFFAOYSA-N -1 1 382.266 3.693 20 5 GHBDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000521693713 858236563 /nfs/dbraw/zinc/23/65/63/858236563.db2.gz VKUWOPNUZPGKEV-SSDOTTSWSA-N -1 1 395.347 3.931 20 5 GHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])[nH]n1 ZINC000594706556 858260778 /nfs/dbraw/zinc/26/07/78/858260778.db2.gz UNIYZVADLBAOOL-LLVKDONJSA-N -1 1 389.437 3.571 20 5 GHBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000765522814 860063648 /nfs/dbraw/zinc/06/36/48/860063648.db2.gz CAHAJCROOZEQNR-AWEZNQCLSA-N -1 1 397.383 3.719 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1C ZINC000474433465 860088991 /nfs/dbraw/zinc/08/89/91/860088991.db2.gz NFXVFUGFANFSJI-UHFFFAOYSA-N -1 1 378.454 3.783 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000474433193 860090675 /nfs/dbraw/zinc/09/06/75/860090675.db2.gz UCQNNFFODNBVGC-UHFFFAOYSA-N -1 1 394.453 3.565 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4[O-])C3)[nH]c2c1 ZINC000185474947 860421642 /nfs/dbraw/zinc/42/16/42/860421642.db2.gz VROUDOGKSCUZTG-ZDUSSCGKSA-N -1 1 380.404 3.505 20 5 GHBDMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1F ZINC000730194090 860935561 /nfs/dbraw/zinc/93/55/61/860935561.db2.gz JVMMBTKYTNNOFL-UHFFFAOYSA-N -1 1 376.344 3.568 20 5 GHBDMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000480214431 864246912 /nfs/dbraw/zinc/24/69/12/864246912.db2.gz CIZMVFOGEWKYFV-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000499292842 881932030 /nfs/dbraw/zinc/93/20/30/881932030.db2.gz VRMJEDHFNMWTBT-UHFFFAOYSA-N -1 1 394.424 3.507 20 5 GHBDMM COc1cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc(Cl)c1[O-] ZINC000456142495 866148589 /nfs/dbraw/zinc/14/85/89/866148589.db2.gz NLKSQNAFLLODDE-CYBMUJFWSA-N -1 1 390.823 3.982 20 5 GHBDMM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444763114 867192636 /nfs/dbraw/zinc/19/26/36/867192636.db2.gz ULTLRUXXGLIZEF-NSHDSACASA-N -1 1 393.680 3.521 20 5 GHBDMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[nH][n-]2)c1 ZINC000444810332 867243449 /nfs/dbraw/zinc/24/34/49/867243449.db2.gz FEIQROAIPFIHIF-UHFFFAOYSA-N -1 1 393.378 3.517 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]c1-c1ccccc1 ZINC000534799766 867535902 /nfs/dbraw/zinc/53/59/02/867535902.db2.gz JNKNUCNLKIGDOI-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM O=C(N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146233 867829558 /nfs/dbraw/zinc/82/95/58/867829558.db2.gz VOXTURIAFOHXGZ-KGLIPLIRSA-N -1 1 395.337 3.780 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000539854225 869921050 /nfs/dbraw/zinc/92/10/50/869921050.db2.gz OCUPUZGHUKENBL-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000609115832 871722365 /nfs/dbraw/zinc/72/23/65/871722365.db2.gz ZDAQIWUFENSWJT-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1F ZINC001195242436 872273711 /nfs/dbraw/zinc/27/37/11/872273711.db2.gz JRTHAKRLLIOXTM-UHFFFAOYSA-N -1 1 393.223 3.828 20 5 GHBDMM COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)cc(Cl)c1[O-] ZINC000527489175 873206724 /nfs/dbraw/zinc/20/67/24/873206724.db2.gz RLTUGDKOAVLHNF-UHFFFAOYSA-N -1 1 391.767 3.612 20 5 GHBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464640959 874217179 /nfs/dbraw/zinc/21/71/79/874217179.db2.gz AQBCOWWDELQSDF-UHFFFAOYSA-N -1 1 385.689 3.562 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000769889537 874353020 /nfs/dbraw/zinc/35/30/20/874353020.db2.gz SBWVWZCTIYLNCD-UHFFFAOYSA-N -1 1 383.356 3.689 20 5 GHBDMM CCOC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([O-])c1 ZINC000537771638 878273231 /nfs/dbraw/zinc/27/32/31/878273231.db2.gz JVDNYKHJMKHQPE-UHFFFAOYSA-N -1 1 398.293 3.748 20 5 GHBDMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000790047173 879427256 /nfs/dbraw/zinc/42/72/56/879427256.db2.gz ZAENLVZJLYEZOK-UHFFFAOYSA-N -1 1 376.781 3.725 20 5 GHBDMM Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000531756373 880391248 /nfs/dbraw/zinc/39/12/48/880391248.db2.gz WPDPKGMAPYWLFP-UHFFFAOYSA-N -1 1 384.367 3.553 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1C 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/nfs/dbraw/zinc/34/25/89/893342589.db2.gz MHAABSKGHVFBOA-UHFFFAOYSA-N -1 1 394.424 3.534 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000536702311 893577161 /nfs/dbraw/zinc/57/71/61/893577161.db2.gz FPAOEKISDBHHLU-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000565794280 895882913 /nfs/dbraw/zinc/88/29/13/895882913.db2.gz CDNMJYKJSVEZEF-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM O=C([N-]c1ccccc1SC[C@@H]1CC1(Cl)Cl)c1n[nH]cc1[N+](=O)[O-] ZINC001136328931 897277296 /nfs/dbraw/zinc/27/72/96/897277296.db2.gz HCMPGHSOITZIIG-QMMMGPOBSA-N -1 1 387.248 3.856 20 5 GHBDMM CC1(C)CC[C@H]2C[C@@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801369 899815838 /nfs/dbraw/zinc/81/58/38/899815838.db2.gz DXMUFQNTRXOXJY-XHDPSFHLSA-N -1 1 391.435 3.882 20 5 GHBDMM CC1(C)CC[C@H]2C[C@@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801369 899815854 /nfs/dbraw/zinc/81/58/54/899815854.db2.gz DXMUFQNTRXOXJY-XHDPSFHLSA-N -1 1 391.435 3.882 20 5 GHBDMM Cc1cc(NC2CCN(Cc3ccc(F)cc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575409534 901225443 /nfs/dbraw/zinc/22/54/43/901225443.db2.gz PDHGPDCRNZTQIU-UHFFFAOYSA-N -1 1 387.411 3.817 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)n1 ZINC001187370952 915199901 /nfs/dbraw/zinc/19/99/01/915199901.db2.gz FGDBEBVEELYFJX-LBPRGKRZSA-N -1 1 394.353 3.602 20 5 GHBDMM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001188606701 916053272 /nfs/dbraw/zinc/05/32/72/916053272.db2.gz AEFZMPYGIAPQCB-BTDLBPIBSA-N -1 1 398.843 3.989 20 5 GHBDMM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000802660784 922319846 /nfs/dbraw/zinc/31/98/46/922319846.db2.gz WGXUGGCPZLXAHK-FQEVSTJZSA-N -1 1 391.468 3.523 20 5 GHBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000725820337 926457577 /nfs/dbraw/zinc/45/75/77/926457577.db2.gz QHIUTVDSACLYHC-QGZVFWFLSA-N -1 1 396.852 3.686 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/nfs/dbraw/zinc/78/26/84/1031782684.db2.gz UYAVEHCGRZZBAG-UHFFFAOYSA-N -1 1 381.395 3.927 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCc2cc(Cl)ccc21 ZINC001226309024 1031910146 /nfs/dbraw/zinc/91/01/46/1031910146.db2.gz CIQMPOYUUHNFNP-CYBMUJFWSA-N -1 1 378.768 3.592 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CC(c2ccccc2Cl)C1 ZINC001226310153 1031911730 /nfs/dbraw/zinc/91/17/30/1031911730.db2.gz NEUQEYKOQHUUCR-UHFFFAOYSA-N -1 1 392.795 3.851 20 5 GHBDMM Cc1cc(=O)oc2cc([O-])cc(OC3CCN(c4ccccc4[N+](=O)[O-])CC3)c12 ZINC001226484858 1031976454 /nfs/dbraw/zinc/97/64/54/1031976454.db2.gz IPPCTPQHQUUXIG-UHFFFAOYSA-N -1 1 396.399 3.763 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229804828 1033729686 /nfs/dbraw/zinc/72/96/86/1033729686.db2.gz FLLMMDQVADALPC-GXTWGEPZSA-N -1 1 398.411 3.858 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(OCc2cc(Br)cnc2OC(C)C)n1 ZINC001231264200 1034492782 /nfs/dbraw/zinc/49/27/82/1034492782.db2.gz OSKTWWWRYYSNST-UHFFFAOYSA-N -1 1 398.213 3.528 20 5 GHBDMM CC(C)(C)OC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CC1 ZINC001233497202 1039391163 /nfs/dbraw/zinc/39/11/63/1039391163.db2.gz FXPPOGZXVBZYFO-UHFFFAOYSA-N -1 1 396.831 3.903 20 5 GHBDMM CCOC(=O)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001233498201 1039392977 /nfs/dbraw/zinc/39/29/77/1039392977.db2.gz JWZPFLLLNFMFQQ-OAHLLOKOSA-N -1 1 375.768 3.808 20 5 GHBDMM CCOC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ccccc1 ZINC001233498201 1039392988 /nfs/dbraw/zinc/39/29/88/1039392988.db2.gz JWZPFLLLNFMFQQ-OAHLLOKOSA-N -1 1 375.768 3.808 20 5 GHBDMM C[C@H](COc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)Oc1ccccc1 ZINC001234750794 1040276157 /nfs/dbraw/zinc/27/61/57/1040276157.db2.gz OXXVCNAQNZRZPB-GFCCVEGCSA-N -1 1 394.379 3.909 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)c4cn(C)nc4C)cc([O-])cc3oc21 ZINC001234749862 1040278126 /nfs/dbraw/zinc/27/81/26/1040278126.db2.gz UAAZKMUBWUWYQY-LLVKDONJSA-N -1 1 396.399 3.548 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCc5cccnc54)cc([O-])cc3oc21 ZINC001234750369 1040278169 /nfs/dbraw/zinc/27/81/69/1040278169.db2.gz ZCSAHVZSEMTXOW-OAHLLOKOSA-N -1 1 391.379 3.827 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H]4CCC(=O)CC4(C)C)cc3c(=O)c12 ZINC001234801476 1040334439 /nfs/dbraw/zinc/33/44/39/1040334439.db2.gz QVXJKTLLVNYISB-LJQANCHMSA-N -1 1 398.411 3.893 20 5 GHBDMM CCCCOc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001462844619 1070591745 /nfs/dbraw/zinc/59/17/45/1070591745.db2.gz ZLZQXUDZXHEFGS-UHFFFAOYSA-N -1 1 398.868 3.906 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC001309471652 1050746246 /nfs/dbraw/zinc/74/62/46/1050746246.db2.gz WEGLWEWKCFVMHA-ZFWWWQNUSA-N -1 1 396.415 3.796 20 5 GHBDMM CC(C)(NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001311065980 1051820320 /nfs/dbraw/zinc/82/03/20/1051820320.db2.gz GUTRJPMNZWPHHD-UHFFFAOYSA-N -1 1 381.392 3.543 20 5 GHBDMM COc1ccc2c(c1)nc(NC(=O)c1ccc([N+](=O)[O-])[n-]1)n2Cc1ccccc1 ZINC001454625396 1061883557 /nfs/dbraw/zinc/88/35/57/1061883557.db2.gz BKDZRQBLAFFWEH-UHFFFAOYSA-N -1 1 391.387 3.582 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC3(CC3)C2)c1Cl ZINC001464651304 1065138823 /nfs/dbraw/zinc/13/88/23/1065138823.db2.gz JVYKCIOVKBTYQV-SECBINFHSA-N -1 1 379.265 3.903 20 5 GHBDMM CC(C)(C)c1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1O ZINC001469655667 1068287954 /nfs/dbraw/zinc/28/79/54/1068287954.db2.gz XCKNRFHGTHQJSI-UHFFFAOYSA-N -1 1 382.214 3.941 20 5 GHBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001470670612 1072679338 /nfs/dbraw/zinc/67/93/38/1072679338.db2.gz YZCWDWRKPFWMJN-LBPRGKRZSA-N -1 1 384.417 3.605 20 5 GHBDMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475437096 1074874615 /nfs/dbraw/zinc/87/46/15/1074874615.db2.gz KFEHQSWSFXGDRA-SECBINFHSA-N -1 1 399.296 3.631 20 5 GHBDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000832916040 601369124 /nfs/dbraw/zinc/36/91/24/601369124.db2.gz KJPJQDJDRLKEJX-KGLIPLIRSA-N -1 1 385.420 3.588 20 5 GHBDMM CC(C)Sc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833508590 605331367 /nfs/dbraw/zinc/33/13/67/605331367.db2.gz XZYOBTBXRYJSRH-UHFFFAOYSA-N -1 1 396.446 3.594 20 5 GHBDMM CCCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000728591892 834824971 /nfs/dbraw/zinc/82/49/71/834824971.db2.gz OYWAKXRQDUECSE-INIZCTEOSA-N -1 1 396.440 3.952 20 5 GHBDMM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025146352 844040935 /nfs/dbraw/zinc/04/09/35/844040935.db2.gz XXFDYCGCUQACIW-HXUWFJFHSA-N -1 1 388.383 3.696 20 5 GHBDMM O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000608961842 835731840 /nfs/dbraw/zinc/73/18/40/835731840.db2.gz FWQNCMXICUDRPO-UHFFFAOYSA-N -1 1 380.191 3.727 20 5 GHBDMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000179868743 836156230 /nfs/dbraw/zinc/15/62/30/836156230.db2.gz UWARXACQUJPTMX-SWLSCSKDSA-N -1 1 390.889 3.510 20 5 GHBDMM C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000548956965 836719220 /nfs/dbraw/zinc/71/92/20/836719220.db2.gz IRVBTMZUNSUXOC-GASCZTMLSA-N -1 1 399.447 3.514 20 5 GHBDMM O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000473354701 844232819 /nfs/dbraw/zinc/23/28/19/844232819.db2.gz ZRWAZCUVJCRSFH-UHFFFAOYSA-N -1 1 394.103 3.836 20 5 GHBDMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416458228 839257116 /nfs/dbraw/zinc/25/71/16/839257116.db2.gz PZGKZGSBHHMHRN-MRVPVSSYSA-N -1 1 394.293 3.623 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1cccnc1 ZINC000511702133 840532466 /nfs/dbraw/zinc/53/24/66/840532466.db2.gz UMYSIPNOQIVMMQ-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM CCOc1cc([N-]C(=O)c2nc(Cl)ccc2F)c([N+](=O)[O-])cc1OCC ZINC000759779139 841548113 /nfs/dbraw/zinc/54/81/13/841548113.db2.gz MAFZTSMMNMSSIK-UHFFFAOYSA-N -1 1 383.763 3.832 20 5 GHBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055622131 861271657 /nfs/dbraw/zinc/27/16/57/861271657.db2.gz CMHSSJNMBOCSOW-UHFFFAOYSA-N -1 1 397.840 3.706 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1 ZINC000055632224 861274565 /nfs/dbraw/zinc/27/45/65/861274565.db2.gz NEUUEEQZHNCWKH-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c1C ZINC000015245317 843636928 /nfs/dbraw/zinc/63/69/28/843636928.db2.gz IVZDKHBPNSCAJU-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1cccc(Cl)c1 ZINC000612623890 848690020 /nfs/dbraw/zinc/69/00/20/848690020.db2.gz VVIGEAGVSNFVJL-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000488218151 851275874 /nfs/dbraw/zinc/27/58/74/851275874.db2.gz KWISIOKFQRHKBM-LLVKDONJSA-N -1 1 398.412 3.721 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000514309607 851506619 /nfs/dbraw/zinc/50/66/19/851506619.db2.gz PPFZBCOOBJXNON-UHFFFAOYSA-N -1 1 380.422 3.501 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000028494606 851673356 /nfs/dbraw/zinc/67/33/56/851673356.db2.gz UPDSBXFHYCXYMR-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM COc1ccccc1N=c1[n-]nc(SCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000436477487 851966281 /nfs/dbraw/zinc/96/62/81/851966281.db2.gz XFHGFVCOYKDMLE-UHFFFAOYSA-N -1 1 390.446 3.618 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC000516343671 852447926 /nfs/dbraw/zinc/44/79/26/852447926.db2.gz NDYOFFHUFYJKEP-UHFFFAOYSA-N -1 1 390.848 3.922 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000427441623 853114379 /nfs/dbraw/zinc/11/43/79/853114379.db2.gz BRUFFXWHUDZLEZ-UHFFFAOYSA-N -1 1 384.417 3.606 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000589236519 854756046 /nfs/dbraw/zinc/75/60/46/854756046.db2.gz MZCHOHPGWFTLNW-VIFPVBQESA-N -1 1 393.273 3.929 20 5 GHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000460463965 881371483 /nfs/dbraw/zinc/37/14/83/881371483.db2.gz ZSMFGAYEDQAZSS-UHFFFAOYSA-N -1 1 375.797 3.722 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185055895 859093476 /nfs/dbraw/zinc/09/34/76/859093476.db2.gz FSTNUNWAFBYNHW-UHFFFAOYSA-N -1 1 383.429 3.954 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c(Cl)c1 ZINC000509397976 859312746 /nfs/dbraw/zinc/31/27/46/859312746.db2.gz YDLQSXBMKDMGOE-UHFFFAOYSA-N -1 1 396.730 3.790 20 5 GHBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000765522815 860063410 /nfs/dbraw/zinc/06/34/10/860063410.db2.gz CAHAJCROOZEQNR-CQSZACIVSA-N -1 1 397.383 3.719 20 5 GHBDMM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000484798636 860357127 /nfs/dbraw/zinc/35/71/27/860357127.db2.gz RIFRYHQTGDUNOT-WDEREUQCSA-N -1 1 378.903 3.591 20 5 GHBDMM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000484798633 860357669 /nfs/dbraw/zinc/35/76/69/860357669.db2.gz RIFRYHQTGDUNOT-GHMZBOCLSA-N -1 1 378.903 3.591 20 5 GHBDMM C[C@H]1CCCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000603475158 860735649 /nfs/dbraw/zinc/73/56/49/860735649.db2.gz HBHDHVJZKBGKSN-AWEZNQCLSA-N -1 1 375.450 3.774 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000126438761 861044116 /nfs/dbraw/zinc/04/41/16/861044116.db2.gz NSMAPMDFUYXWDA-IUCAKERBSA-N -1 1 386.779 3.648 20 5 GHBDMM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000742307409 867191377 /nfs/dbraw/zinc/19/13/77/867191377.db2.gz UJNTZLYMKBBHEE-LBPRGKRZSA-N -1 1 398.868 3.729 20 5 GHBDMM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000476572622 882095635 /nfs/dbraw/zinc/09/56/35/882095635.db2.gz LOQGVPZEFCJKLS-VIFPVBQESA-N -1 1 378.816 3.544 20 5 GHBDMM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444996331 867592807 /nfs/dbraw/zinc/59/28/07/867592807.db2.gz AZBIMBQNMAZWSM-MRVPVSSYSA-N -1 1 382.203 3.762 20 5 GHBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1-c1cccs1 ZINC000446953890 870763274 /nfs/dbraw/zinc/76/32/74/870763274.db2.gz IDXVGAKRJZIXBV-UHFFFAOYSA-N -1 1 392.462 3.718 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000619468283 872663716 /nfs/dbraw/zinc/66/37/16/872663716.db2.gz ORUOKYGHYYHZJS-UHFFFAOYSA-N -1 1 392.364 3.803 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000619620833 872831876 /nfs/dbraw/zinc/83/18/76/872831876.db2.gz FFEBSHGLGYOQLX-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464421947 873852056 /nfs/dbraw/zinc/85/20/56/873852056.db2.gz WLSMIGDOVYTPJY-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM Cc1c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000770814255 874879635 /nfs/dbraw/zinc/87/96/35/874879635.db2.gz VBQSBWSUKDZSHK-UHFFFAOYSA-N -1 1 386.183 3.888 20 5 GHBDMM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000542172403 875082771 /nfs/dbraw/zinc/08/27/71/875082771.db2.gz XSXBFISKQZSGRF-UHFFFAOYSA-N -1 1 375.344 3.911 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cccc1N(C)C ZINC000776091382 875323787 /nfs/dbraw/zinc/32/37/87/875323787.db2.gz HTRALLCQWLSGSR-UHFFFAOYSA-N -1 1 383.857 3.732 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000771607911 875343684 /nfs/dbraw/zinc/34/36/84/875343684.db2.gz QKHJOAPWUBQGOQ-UHFFFAOYSA-N -1 1 382.825 3.682 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000492961429 877887319 /nfs/dbraw/zinc/88/73/19/877887319.db2.gz NXXHMEFMUZPALU-UHFFFAOYSA-N -1 1 375.450 3.613 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000615705373 878052951 /nfs/dbraw/zinc/05/29/51/878052951.db2.gz QBUJMMTYOZHWTO-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM Cc1cc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)ccc1[N+](=O)[O-] ZINC000609661445 883500739 /nfs/dbraw/zinc/50/07/39/883500739.db2.gz MDQHHJXYVSGSSF-UHFFFAOYSA-N -1 1 378.406 3.526 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000914564719 884186119 /nfs/dbraw/zinc/18/61/19/884186119.db2.gz WJDDXPDGEXYEOC-UHFFFAOYSA-N -1 1 392.433 3.726 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000032097618 884209886 /nfs/dbraw/zinc/20/98/86/884209886.db2.gz UTBLPNCTKLNKTF-UHFFFAOYSA-N -1 1 391.405 3.669 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(c2ccccc2)c2ccccc2)s1 ZINC000064243311 892492929 /nfs/dbraw/zinc/49/29/29/892492929.db2.gz WXVUVBWPIYVGNQ-UHFFFAOYSA-N -1 1 388.470 3.767 20 5 GHBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000814997423 893330176 /nfs/dbraw/zinc/33/01/76/893330176.db2.gz OCYMDGWDJOAIAM-MRVPVSSYSA-N -1 1 378.834 3.797 20 5 GHBDMM C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001171708678 904940577 /nfs/dbraw/zinc/94/05/77/904940577.db2.gz SWQFPVGBQZJMKW-SFHVURJKSA-N -1 1 393.802 3.725 20 5 GHBDMM CC(C)c1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)s1 ZINC000267928559 909697017 /nfs/dbraw/zinc/69/70/17/909697017.db2.gz KVZWEDXVWMDFND-UHFFFAOYSA-N -1 1 389.206 3.724 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(Cl)cc1F ZINC000795366857 910070375 /nfs/dbraw/zinc/07/03/75/910070375.db2.gz CLZADLMAHBSHLP-UHFFFAOYSA-N -1 1 376.768 3.944 20 5 GHBDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c(=O)c1C1CC1 ZINC001189885626 916990104 /nfs/dbraw/zinc/99/01/04/916990104.db2.gz YGAXLMUYEPSNCP-VIFPVBQESA-N -1 1 392.412 3.535 20 5 GHBDMM C=Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC001190587884 917434018 /nfs/dbraw/zinc/43/40/18/917434018.db2.gz VTJDBPLCIWLXBI-UHFFFAOYSA-N -1 1 384.816 3.551 20 5 GHBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000725820016 926457763 /nfs/dbraw/zinc/45/77/63/926457763.db2.gz IUBUBCAQNILTPQ-KRWDZBQOSA-N -1 1 380.853 3.986 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000725822544 926458519 /nfs/dbraw/zinc/45/85/19/926458519.db2.gz AMVZXKORKHVXGD-UHFFFAOYSA-N -1 1 382.850 3.941 20 5 GHBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(Cl)c1 ZINC000557835444 931713099 /nfs/dbraw/zinc/71/30/99/931713099.db2.gz DKBGEIAZQVDXRQ-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(OC)c(C)c1C ZINC000558039709 931812146 /nfs/dbraw/zinc/81/21/46/931812146.db2.gz XFJBYQJIPSAVDY-UHFFFAOYSA-N -1 1 378.450 3.892 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000562233299 934775846 /nfs/dbraw/zinc/77/58/46/934775846.db2.gz QJUZPQLUKMLUNQ-UHFFFAOYSA-N -1 1 388.449 3.889 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC001603511926 973509456 /nfs/dbraw/zinc/50/94/56/973509456.db2.gz AOAIBDKBJCOSAG-LZWOXQAQSA-N -1 1 394.468 3.571 20 5 GHBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000756350679 978698926 /nfs/dbraw/zinc/69/89/26/978698926.db2.gz PIIVXWQLWMQVAS-CQSZACIVSA-N -1 1 399.628 3.926 20 5 GHBDMM CCOc1ccc(Cl)cc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597106810 986750996 /nfs/dbraw/zinc/75/09/96/986750996.db2.gz STHPDNSRYOBNSN-GOSISDBHSA-N -1 1 378.812 3.737 20 5 GHBDMM C[C@@H](C(=O)[O-])[C@H](NCc1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC001589469028 986937312 /nfs/dbraw/zinc/93/73/12/986937312.db2.gz OLONHFOMVNNYDV-BZNIZROVSA-N -1 1 393.237 3.909 20 5 GHBDMM CN1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001598585972 993383508 /nfs/dbraw/zinc/38/35/08/993383508.db2.gz MXRXVZSVYBQBCO-JXIIZGMMSA-N -1 1 385.395 3.689 20 5 GHBDMM COC[C@H](C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001599161921 998473450 /nfs/dbraw/zinc/47/34/50/998473450.db2.gz PZTAZFMYWGTZBJ-VBKZILBWSA-N -1 1 384.432 3.817 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227310572 1032367988 /nfs/dbraw/zinc/36/79/88/1032367988.db2.gz VQGHBWCPCNEXFE-CHWSQXEVSA-N -1 1 398.411 3.858 20 5 GHBDMM COc1ccc(OC[C@@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cc1 ZINC001228858128 1033140936 /nfs/dbraw/zinc/14/09/36/1033140936.db2.gz DABLOILCULLKEW-SECBINFHSA-N -1 1 388.298 3.569 20 5 GHBDMM COc1ccc2c(c1)CC[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C2 ZINC001228858023 1033141946 /nfs/dbraw/zinc/14/19/46/1033141946.db2.gz BETDPVDPCLEYAD-LBPRGKRZSA-N -1 1 384.310 3.659 20 5 GHBDMM CSCCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831147874 1024381676 /nfs/dbraw/zinc/38/16/76/1024381676.db2.gz JAKIPKMCZMLFHD-UHFFFAOYSA-N -1 1 387.310 3.713 20 5 GHBDMM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001210524845 1027543506 /nfs/dbraw/zinc/54/35/06/1027543506.db2.gz GRGWUPPYZMSIEZ-NWDGAFQWSA-N -1 1 378.903 3.591 20 5 GHBDMM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001229257913 1033371794 /nfs/dbraw/zinc/37/17/94/1033371794.db2.gz BPEWPPMMXLFBLF-OAQYLSRUSA-N -1 1 378.384 3.609 20 5 GHBDMM CC(C)(Oc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC001229395538 1033456880 /nfs/dbraw/zinc/45/68/80/1033456880.db2.gz JLIZISKKGFYTHB-KRWDZBQOSA-N -1 1 383.356 3.568 20 5 GHBDMM COc1ccc([C@@H]2CC(=O)c3c(O[C@H](C[N+](=O)[O-])C4CC4)cc([O-])cc3O2)cc1 ZINC001229463952 1033497023 /nfs/dbraw/zinc/49/70/23/1033497023.db2.gz LBZYUDFDZIMATR-FXAWDEMLSA-N -1 1 399.399 3.541 20 5 GHBDMM CCOC(=O)N1CCC[C@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229516367 1033533979 /nfs/dbraw/zinc/53/39/79/1033533979.db2.gz JMHHFTLODBHWQY-HNNXBMFYSA-N -1 1 383.400 3.652 20 5 GHBDMM 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COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC(F)(F)C4)cc([O-])cc3oc21 ZINC001234752531 1040282276 /nfs/dbraw/zinc/28/22/76/1040282276.db2.gz YPAJIMRTZISQMF-JTQLQIEISA-N -1 1 378.327 3.933 20 5 GHBDMM CC(C)[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001234876814 1040390935 /nfs/dbraw/zinc/39/09/35/1040390935.db2.gz KPSPDDXXGGKZRS-LBPRGKRZSA-N -1 1 390.230 3.808 20 5 GHBDMM CN(Cc1ccccc1OCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302389498 1046930985 /nfs/dbraw/zinc/93/09/85/1046930985.db2.gz BKHUTYVJOSCBMH-UHFFFAOYSA-N -1 1 393.399 3.547 20 5 GHBDMM CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001303928680 1047536229 /nfs/dbraw/zinc/53/62/29/1047536229.db2.gz FGJHHCHOONXJCI-LLVKDONJSA-N -1 1 395.337 3.521 20 5 GHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001290781770 1049923072 /nfs/dbraw/zinc/92/30/72/1049923072.db2.gz GRUSSMPFCAMCRN-UHFFFAOYSA-N -1 1 392.293 3.962 20 5 GHBDMM 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O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(F)c([O-])c1 ZINC001469039148 1067960592 /nfs/dbraw/zinc/96/05/92/1067960592.db2.gz KTLYPGBVEIMSJK-ZDUSSCGKSA-N -1 1 376.237 3.612 20 5 GHBDMM C[C@@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001471800703 1073221620 /nfs/dbraw/zinc/22/16/20/1073221620.db2.gz MXIPHKZTLTYMBD-GFCCVEGCSA-N -1 1 380.356 3.864 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC001475516574 1074902540 /nfs/dbraw/zinc/90/25/40/1074902540.db2.gz MIVYYOZACJTJOL-NSHDSACASA-N -1 1 396.852 3.613 20 5 GHBDMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000739499996 600216284 /nfs/dbraw/zinc/21/62/84/600216284.db2.gz NMPUIFPKUPDKMS-AWEZNQCLSA-N -1 1 399.628 3.926 20 5 GHBDMM COc1ccc2cc(CNc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)ccc2c1 ZINC000821854648 606644873 /nfs/dbraw/zinc/64/48/73/606644873.db2.gz QHJKWRYAGHRMSB-UHFFFAOYSA-N -1 1 376.376 3.549 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1[N+](=O)[O-] ZINC000432070824 840617233 /nfs/dbraw/zinc/61/72/33/840617233.db2.gz CHASGXYKYWEPCC-UHFFFAOYSA-N -1 1 386.838 3.548 20 5 GHBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1C ZINC000055615330 861268399 /nfs/dbraw/zinc/26/83/99/861268399.db2.gz PQJSKDDWXCSVFE-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000512839069 843861467 /nfs/dbraw/zinc/86/14/67/843861467.db2.gz QSTTXOOHCWVBDA-LBPRGKRZSA-N -1 1 380.422 3.582 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]n1 ZINC000434972999 849961269 /nfs/dbraw/zinc/96/12/69/849961269.db2.gz QUHAPUVHGRPKEV-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505737695 851070149 /nfs/dbraw/zinc/07/01/49/851070149.db2.gz ZAFSULZAGCEAFD-HXUWFJFHSA-N -1 1 388.383 3.696 20 5 GHBDMM CCc1cc(=O)[n-]c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])n1 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/nfs/dbraw/zinc/50/39/19/860503919.db2.gz ULPKMOSFPPXFPR-UHFFFAOYSA-N -1 1 385.807 3.817 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1SC ZINC000598715293 860524078 /nfs/dbraw/zinc/52/40/78/860524078.db2.gz ATIMDPMDUDCNNG-UHFFFAOYSA-N -1 1 382.463 3.743 20 5 GHBDMM C[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000603474635 860736309 /nfs/dbraw/zinc/73/63/09/860736309.db2.gz XLJUXDYRYNVUBH-CQSZACIVSA-N -1 1 375.450 3.632 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2CC(=O)[O-])cc1OC ZINC000593744580 861135960 /nfs/dbraw/zinc/13/59/60/861135960.db2.gz GQGFWFOMZWNCSX-HOCLYGCPSA-N -1 1 394.468 3.858 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(CN2CCCCC2)c1 ZINC000444031941 863177561 /nfs/dbraw/zinc/17/75/61/863177561.db2.gz JRKTZFDLPBBBQQ-UHFFFAOYSA-N -1 1 389.477 3.690 20 5 GHBDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000554387250 864224537 /nfs/dbraw/zinc/22/45/37/864224537.db2.gz FGKQQANAVRITTE-SECBINFHSA-N -1 1 394.396 3.585 20 5 GHBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134497 866138310 /nfs/dbraw/zinc/13/83/10/866138310.db2.gz GTPUUHZELRAXKJ-HNNXBMFYSA-N -1 1 398.463 3.716 20 5 GHBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3ccccc3Cl)c2)c1[N+](=O)[O-] ZINC000737410105 866149810 /nfs/dbraw/zinc/14/98/10/866149810.db2.gz ATDCXVUUJTYTBR-UHFFFAOYSA-N -1 1 387.783 3.749 20 5 GHBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Sc1ccccc1 ZINC000742333313 867214973 /nfs/dbraw/zinc/21/49/73/867214973.db2.gz UYMBBQHUJUXXPX-LLVKDONJSA-N -1 1 386.882 3.707 20 5 GHBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444972995 867546454 /nfs/dbraw/zinc/54/64/54/867546454.db2.gz CTRGCCVMIFYJFS-BMIGLBTASA-N -1 1 395.337 3.938 20 5 GHBDMM CCSc1nnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000463168035 871068189 /nfs/dbraw/zinc/06/81/89/871068189.db2.gz VSPPTKLLANIZFZ-UHFFFAOYSA-N -1 1 378.357 3.829 20 5 GHBDMM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2c1C ZINC000519946263 873069395 /nfs/dbraw/zinc/06/93/95/873069395.db2.gz MYNQVCOSFPUCTH-UHFFFAOYSA-N -1 1 393.852 3.825 20 5 GHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448346154 873270683 /nfs/dbraw/zinc/27/06/83/873270683.db2.gz NTDJJVPEOYDRGU-UHFFFAOYSA-N -1 1 383.330 3.963 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000541801936 874316619 /nfs/dbraw/zinc/31/66/19/874316619.db2.gz PALCDMXNQDENSZ-UHFFFAOYSA-N -1 1 378.450 3.937 20 5 GHBDMM Cc1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000770813367 874878336 /nfs/dbraw/zinc/87/83/36/874878336.db2.gz HWHZKXYKIIUMNA-UHFFFAOYSA-N -1 1 386.183 3.888 20 5 GHBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000771573324 875323484 /nfs/dbraw/zinc/32/34/84/875323484.db2.gz JYCPZNLHTGEMCI-MRVPVSSYSA-N -1 1 398.238 3.577 20 5 GHBDMM COc1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1F ZINC000772561401 876026639 /nfs/dbraw/zinc/02/66/39/876026639.db2.gz NOKSVNKKSKANTG-UHFFFAOYSA-N -1 1 375.175 3.819 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1C ZINC000451062269 877299342 /nfs/dbraw/zinc/29/93/42/877299342.db2.gz MUPRIZKVEIVQND-HNNXBMFYSA-N -1 1 376.434 3.516 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000616960199 879270330 /nfs/dbraw/zinc/27/03/30/879270330.db2.gz MGPFEGOYTRSZGP-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(Cl)cc1Cl ZINC000791419178 880398198 /nfs/dbraw/zinc/39/81/98/880398198.db2.gz XITRQZIAVQLEIX-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000609526021 883315627 /nfs/dbraw/zinc/31/56/27/883315627.db2.gz IIRNLSBZDACXAH-UHFFFAOYSA-N -1 1 385.401 3.603 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000193486471 886364652 /nfs/dbraw/zinc/36/46/52/886364652.db2.gz HWIKLZDUCPRTRJ-JTQLQIEISA-N -1 1 383.326 3.938 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000193740625 887358548 /nfs/dbraw/zinc/35/85/48/887358548.db2.gz BPIMVXSBOGMOKC-UHFFFAOYSA-N -1 1 393.852 3.746 20 5 GHBDMM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 ZINC000809386262 887359541 /nfs/dbraw/zinc/35/95/41/887359541.db2.gz LFVPQCKSENAMBN-UHFFFAOYSA-N -1 1 375.233 3.689 20 5 GHBDMM Cc1c(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000864031303 887524027 /nfs/dbraw/zinc/52/40/27/887524027.db2.gz YSAJSACUXZCXGG-HNNXBMFYSA-N -1 1 393.365 3.513 20 5 GHBDMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810742 887819732 /nfs/dbraw/zinc/81/97/32/887819732.db2.gz LFUAQGVNIOTWSQ-QMMMGPOBSA-N -1 1 395.289 3.873 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000809815693 887825887 /nfs/dbraw/zinc/82/58/87/887825887.db2.gz OGFFDNOYLLGTRB-SNVBAGLBSA-N -1 1 393.849 3.582 20 5 GHBDMM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000122234979 889528038 /nfs/dbraw/zinc/52/80/38/889528038.db2.gz WIMMOXCTOLHVGY-UHFFFAOYSA-N -1 1 395.231 3.667 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCSc2ccccc2)cc1F ZINC001185183558 913706885 /nfs/dbraw/zinc/70/68/85/913706885.db2.gz DETLKPZRFYZOHC-UHFFFAOYSA-N -1 1 384.454 3.503 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000814991085 893326510 /nfs/dbraw/zinc/32/65/10/893326510.db2.gz RLWHFXPSCDXDNW-UHFFFAOYSA-N -1 1 384.772 3.612 20 5 GHBDMM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918193874 893340360 /nfs/dbraw/zinc/34/03/60/893340360.db2.gz NUUAMYGJUAEXGY-LBPRGKRZSA-N -1 1 382.413 3.561 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000815043101 893358945 /nfs/dbraw/zinc/35/89/45/893358945.db2.gz RQNKSOIBHJRTLG-HAQNSBGRSA-N -1 1 384.816 3.612 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000132322777 897755144 /nfs/dbraw/zinc/75/51/44/897755144.db2.gz WDTYKYSUXSPJRZ-UHFFFAOYSA-N -1 1 391.380 3.862 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000576805275 902273407 /nfs/dbraw/zinc/27/34/07/902273407.db2.gz JKLFVPFYIZVOFK-UHFFFAOYSA-N -1 1 386.282 3.850 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc([N+](=O)[O-])c4[O-])C3)[nH]c2c1 ZINC000128673489 902701750 /nfs/dbraw/zinc/70/17/50/902701750.db2.gz JLWOBBCQQPBMIW-CYBMUJFWSA-N -1 1 380.404 3.505 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)s2)cc1Cl ZINC000809806660 907449341 /nfs/dbraw/zinc/44/93/41/907449341.db2.gz DTUIPVNGCJSZRK-UHFFFAOYSA-N -1 1 385.225 3.581 20 5 GHBDMM Cn1[n-]cc2c(=NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)ccnc1-2 ZINC000801704549 921402737 /nfs/dbraw/zinc/40/27/37/921402737.db2.gz PPWKLAFIGPISAO-UHFFFAOYSA-N -1 1 397.460 3.537 20 5 GHBDMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070081 921560764 /nfs/dbraw/zinc/56/07/64/921560764.db2.gz UFVVENXOYVHSOQ-ZDUSSCGKSA-N -1 1 386.404 3.916 20 5 GHBDMM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)o2)cc1C ZINC000780072467 921584031 /nfs/dbraw/zinc/58/40/31/921584031.db2.gz QECQXWJQKFSNCW-LBPRGKRZSA-N -1 1 383.360 3.885 20 5 GHBDMM O=C(OCc1coc(-c2c(F)cccc2F)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071329 921587914 /nfs/dbraw/zinc/58/79/14/921587914.db2.gz GCQCSMCQLXOZHR-UHFFFAOYSA-N -1 1 376.271 3.591 20 5 GHBDMM C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001188606702 916052894 /nfs/dbraw/zinc/05/28/94/916052894.db2.gz AEFZMPYGIAPQCB-DYZYQPBXSA-N -1 1 398.843 3.989 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc(Cl)cc3F)no2)n[n-]c1C(F)(F)F ZINC001212972793 916164433 /nfs/dbraw/zinc/16/44/33/916164433.db2.gz KMBVQMVTTJEOBF-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2Cl)CC1 ZINC001191681206 918110007 /nfs/dbraw/zinc/11/00/07/918110007.db2.gz WFPKYZKTSKHZAW-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM O=C([N-]c1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000298165123 920269098 /nfs/dbraw/zinc/26/90/98/920269098.db2.gz YOMKNZYGXMLOLJ-UHFFFAOYSA-N -1 1 385.355 3.564 20 5 GHBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000800928442 920612425 /nfs/dbraw/zinc/61/24/25/920612425.db2.gz NVBRQZIMVGMAML-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000725837869 926464420 /nfs/dbraw/zinc/46/44/20/926464420.db2.gz SEXTYLSVLQJLSF-CQSZACIVSA-N -1 1 382.413 3.562 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CCC1 ZINC000726977503 926967771 /nfs/dbraw/zinc/96/77/71/926967771.db2.gz MJJLWXXTKRZUTQ-UHFFFAOYSA-N -1 1 398.843 3.788 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(Cl)c1F ZINC001116129882 933351443 /nfs/dbraw/zinc/35/14/43/933351443.db2.gz OLFISMGLVJPORO-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000778051187 934793592 /nfs/dbraw/zinc/79/35/92/934793592.db2.gz SBWQZVXDRSSVAA-HNNXBMFYSA-N -1 1 394.399 3.787 20 5 GHBDMM C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])N1CCc2ccccc2C1 ZINC001592722220 979223044 /nfs/dbraw/zinc/22/30/44/979223044.db2.gz JMMHLQHFAGFFME-GFCCVEGCSA-N -1 1 389.839 3.805 20 5 GHBDMM CC(C)N(Cc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001591596555 992822768 /nfs/dbraw/zinc/82/27/68/992822768.db2.gz HJPFPRLPPGKIFT-UHFFFAOYSA-N -1 1 376.384 3.608 20 5 GHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000469001412 1016324461 /nfs/dbraw/zinc/32/44/61/1016324461.db2.gz OGTOLDDXLJBBPR-UHFFFAOYSA-N -1 1 376.416 3.980 20 5 GHBDMM COC(=O)[C@@H]1CC[C@H](Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227703968 1032523832 /nfs/dbraw/zinc/52/38/32/1032523832.db2.gz YNGBIBIHLVDCPL-ZBFHGGJFSA-N -1 1 399.399 3.560 20 5 GHBDMM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2[n-]c(=S)nc3ccccc32)C1 ZINC001228766021 1033085574 /nfs/dbraw/zinc/08/55/74/1033085574.db2.gz QBPRAYQTNHZDTL-NSHDSACASA-N -1 1 386.408 3.624 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)C3=Cc4ccccc4CC3)n[nH]2)c1 ZINC000754825629 1022915149 /nfs/dbraw/zinc/91/51/49/1022915149.db2.gz BSXRCUKHZQXDES-UHFFFAOYSA-N -1 1 396.428 3.714 20 5 GHBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000755494007 1023271156 /nfs/dbraw/zinc/27/11/56/1023271156.db2.gz RGDMGRHSOHLSPM-PFONDFGASA-N -1 1 394.427 3.825 20 5 GHBDMM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccc2cccnc2c1[O-] ZINC001149323144 1030131729 /nfs/dbraw/zinc/13/17/29/1030131729.db2.gz VSZSNLNMPYKWPF-UHFFFAOYSA-N -1 1 381.395 3.871 20 5 GHBDMM Cc1nc(O[C@@H](C)c2c(F)cc(Br)cc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378754 1033447530 /nfs/dbraw/zinc/44/75/30/1033447530.db2.gz MQWXFTGOKJJBPP-YFKPBYRVSA-N -1 1 390.140 3.580 20 5 GHBDMM COC(=O)CC1CCC(Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)CC1 ZINC001229804362 1033730038 /nfs/dbraw/zinc/73/00/38/1033730038.db2.gz BKAFMYNLQFIYFK-UHFFFAOYSA-N -1 1 398.411 3.858 20 5 GHBDMM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c(C)c1 ZINC001208416542 1034888205 /nfs/dbraw/zinc/88/82/05/1034888205.db2.gz OEGIIFQLZKRXKX-UHFFFAOYSA-N -1 1 389.260 3.997 20 5 GHBDMM CCCC(=O)[C@H](CCC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750285 1040276530 /nfs/dbraw/zinc/27/65/30/1040276530.db2.gz JMGPMPAPMIRTMX-INIZCTEOSA-N -1 1 386.400 3.980 20 5 GHBDMM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001462698776 1070479883 /nfs/dbraw/zinc/47/98/83/1070479883.db2.gz YSOBZQBSFDNPLO-VIFPVBQESA-N -1 1 397.266 3.599 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC001309418166 1050703080 /nfs/dbraw/zinc/70/30/80/1050703080.db2.gz MAERVBNOKNFWND-JKSUJKDBSA-N -1 1 392.452 3.732 20 5 GHBDMM COc1c(C(=O)[N-]c2c(F)ccc(Br)c2F)cccc1[N+](=O)[O-] ZINC001439794341 1058303557 /nfs/dbraw/zinc/30/35/57/1058303557.db2.gz LCBMYQXYFQDRFM-UHFFFAOYSA-N -1 1 387.136 3.896 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1F ZINC001338232804 1058465888 /nfs/dbraw/zinc/46/58/88/1058465888.db2.gz XFLJSHWZHBKHRG-UHFFFAOYSA-N -1 1 375.747 3.733 20 5 GHBDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001339150616 1058982878 /nfs/dbraw/zinc/98/28/78/1058982878.db2.gz DJTBLCSEZSUENW-NEPJUHHUSA-N -1 1 398.337 3.940 20 5 GHBDMM O=[N+]([O-])c1c2cccnc2ccc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001458550734 1063885759 /nfs/dbraw/zinc/88/57/59/1063885759.db2.gz VYDOTOWENFVBOO-UHFFFAOYSA-N -1 1 398.850 3.824 20 5 GHBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1Br ZINC001472615819 1073576786 /nfs/dbraw/zinc/57/67/86/1073576786.db2.gz LHJAOPSFNSWUMC-UHFFFAOYSA-N -1 1 385.601 3.646 20 5 GHBDMM O=[N+]([O-])c1ccccc1CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000823647244 606156336 /nfs/dbraw/zinc/15/63/36/606156336.db2.gz ISHJVXHLAUKXEK-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nn[n-]n3)s2)c2ccncc2)cc1 ZINC000823634497 606389633 /nfs/dbraw/zinc/38/96/33/606389633.db2.gz IEFXMDWKORYICC-LFIBNONCSA-N -1 1 376.401 3.820 20 5 GHBDMM CC(C)c1nc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2s1 ZINC000820206297 606702828 /nfs/dbraw/zinc/70/28/28/606702828.db2.gz HTKAUZNGAQSQIW-UHFFFAOYSA-N -1 1 382.409 3.647 20 5 GHBDMM CC(C)c1nc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2s1 ZINC000820206297 606702829 /nfs/dbraw/zinc/70/28/29/606702829.db2.gz HTKAUZNGAQSQIW-UHFFFAOYSA-N -1 1 382.409 3.647 20 5 GHBDMM C[C@@H]1C[C@@H]1[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668324 606713698 /nfs/dbraw/zinc/71/36/98/606713698.db2.gz ROQCJVBUGSQYEV-IIMNLJJBSA-N -1 1 385.815 3.633 20 5 GHBDMM C[C@@H]1C[C@@H]1[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668324 606713701 /nfs/dbraw/zinc/71/37/01/606713701.db2.gz ROQCJVBUGSQYEV-IIMNLJJBSA-N -1 1 385.815 3.633 20 5 GHBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820460766 607161845 /nfs/dbraw/zinc/16/18/45/607161845.db2.gz BSXSAYGEXMDAQE-LURJTMIESA-N -1 1 398.185 3.789 20 5 GHBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820460766 607161847 /nfs/dbraw/zinc/16/18/47/607161847.db2.gz BSXSAYGEXMDAQE-LURJTMIESA-N -1 1 398.185 3.789 20 5 GHBDMM Cc1c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826234973 607930246 /nfs/dbraw/zinc/93/02/46/607930246.db2.gz XFVBDOJJGNUQCZ-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826234973 607930247 /nfs/dbraw/zinc/93/02/47/607930247.db2.gz XFVBDOJJGNUQCZ-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(Br)c1 ZINC000120914448 837458184 /nfs/dbraw/zinc/45/81/84/837458184.db2.gz YBJFCXRPFZCWJQ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548953699 836570198 /nfs/dbraw/zinc/57/01/98/836570198.db2.gz DZKQNUBQDURGTL-UHFFFAOYSA-N -1 1 383.791 3.701 20 5 GHBDMM Cc1c(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cccc1[N+](=O)[O-] ZINC000043347411 836654667 /nfs/dbraw/zinc/65/46/67/836654667.db2.gz MVHXSKADTWNLNL-UHFFFAOYSA-N -1 1 383.404 3.736 20 5 GHBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189264802 838244702 /nfs/dbraw/zinc/24/47/02/838244702.db2.gz NPUAXRGCVBIMGJ-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175938480 839316955 /nfs/dbraw/zinc/31/69/55/839316955.db2.gz PGKYQRODPDDIAT-UHFFFAOYSA-N -1 1 392.202 3.794 20 5 GHBDMM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549446610 839421072 /nfs/dbraw/zinc/42/10/72/839421072.db2.gz UUDOYFZLVBQIEW-UHFFFAOYSA-N -1 1 384.411 3.894 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000500126806 841490794 /nfs/dbraw/zinc/49/07/94/841490794.db2.gz XWZVJVWLLZOOPY-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509730001 843098573 /nfs/dbraw/zinc/09/85/73/843098573.db2.gz RLHWLZVOYUZPOP-QMMMGPOBSA-N -1 1 395.289 3.873 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000512577961 844637769 /nfs/dbraw/zinc/63/77/69/844637769.db2.gz OAVSWYDWYNQMPG-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000551477199 846391133 /nfs/dbraw/zinc/39/11/33/846391133.db2.gz JDGAFAOLOHQCAB-UHFFFAOYSA-N -1 1 376.434 3.723 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435588152 846789415 /nfs/dbraw/zinc/78/94/15/846789415.db2.gz LAGCXNFPBWNBCA-XYPYZODXSA-N -1 1 384.816 3.612 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1Cl ZINC000479212109 847559978 /nfs/dbraw/zinc/55/99/78/847559978.db2.gz QDAIYDOAYWCQOF-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1F ZINC000504478344 850092804 /nfs/dbraw/zinc/09/28/04/850092804.db2.gz VHMCXZSSJYIWBC-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000518809305 850176660 /nfs/dbraw/zinc/17/66/60/850176660.db2.gz NLNABJITBPFWGE-LBPRGKRZSA-N -1 1 395.337 3.734 20 5 GHBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436974755 852560501 /nfs/dbraw/zinc/56/05/01/852560501.db2.gz BIWBWPZXXARDTK-CQSZACIVSA-N -1 1 386.795 3.807 20 5 GHBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436988059 852576295 /nfs/dbraw/zinc/57/62/95/852576295.db2.gz JMWKHIQAPHPOAD-OAHLLOKOSA-N -1 1 386.795 3.807 20 5 GHBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC000517914659 852598705 /nfs/dbraw/zinc/59/87/05/852598705.db2.gz QNEKZAOHZZEWDW-INIZCTEOSA-N -1 1 398.868 3.932 20 5 GHBDMM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507552981 853020211 /nfs/dbraw/zinc/02/02/11/853020211.db2.gz SNIUZNXDJDFPEJ-SNVBAGLBSA-N -1 1 384.417 3.618 20 5 GHBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000165145581 854730684 /nfs/dbraw/zinc/73/06/84/854730684.db2.gz VBEADKORCWNRJH-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c([N+](=O)[O-])c1 ZINC000485995280 857326083 /nfs/dbraw/zinc/32/60/83/857326083.db2.gz ATNXANXYZIYYIB-UHFFFAOYSA-N -1 1 392.433 3.614 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000486005817 857341443 /nfs/dbraw/zinc/34/14/43/857341443.db2.gz MWCHVKATQSNQKO-AWEZNQCLSA-N -1 1 392.330 3.624 20 5 GHBDMM O=C([N-]c1ccnc2ccncc12)c1sc(Br)cc1[N+](=O)[O-] ZINC000486163389 857493244 /nfs/dbraw/zinc/49/32/44/857493244.db2.gz IJYSLOYTKNSZER-UHFFFAOYSA-N -1 1 379.195 3.614 20 5 GHBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1C ZINC000574550240 858079707 /nfs/dbraw/zinc/07/97/07/858079707.db2.gz OZZPKECSGMCRCT-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001212176530 858329186 /nfs/dbraw/zinc/32/91/86/858329186.db2.gz DIWIZAMEVYPFQK-SNVBAGLBSA-N -1 1 378.853 3.882 20 5 GHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)cc1SC ZINC000522247883 858895847 /nfs/dbraw/zinc/89/58/47/858895847.db2.gz WAFSUGQMKWQFRA-UHFFFAOYSA-N -1 1 399.432 3.671 20 5 GHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H](c2nccs2)c2ccccc2)s1 ZINC000301930538 859104204 /nfs/dbraw/zinc/10/42/04/859104204.db2.gz KRMFNWKYEKOKDO-ZDUSSCGKSA-N -1 1 395.487 3.718 20 5 GHBDMM C[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611494357 859779445 /nfs/dbraw/zinc/77/94/45/859779445.db2.gz OFYSVOLHDMNYTM-CJNGLKHVSA-N -1 1 393.440 3.580 20 5 GHBDMM CCOc1cc(C(=O)[N-]c2nnc(CCC(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000597868575 859882213 /nfs/dbraw/zinc/88/22/13/859882213.db2.gz AULUYJSDIFYGPI-UHFFFAOYSA-N -1 1 394.453 3.695 20 5 GHBDMM C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC001212187785 860916414 /nfs/dbraw/zinc/91/64/14/860916414.db2.gz HEYGAJAIIUJZPT-GOSISDBHSA-N -1 1 394.880 3.938 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000522800246 863371364 /nfs/dbraw/zinc/37/13/64/863371364.db2.gz OLCWOHJUOLXLPE-UHFFFAOYSA-N -1 1 396.852 3.658 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000734001089 863913829 /nfs/dbraw/zinc/91/38/29/863913829.db2.gz IAEWXLCVIRBHNT-VIFPVBQESA-N -1 1 378.834 3.878 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Br)c1[N+](=O)[O-] ZINC000480209307 864268886 /nfs/dbraw/zinc/26/88/86/864268886.db2.gz MZYSBGGHQSFZST-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000608955651 865880718 /nfs/dbraw/zinc/88/07/18/865880718.db2.gz ANXQBUOPNZTKIS-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000041817761 868151350 /nfs/dbraw/zinc/15/13/50/868151350.db2.gz XGOZTUUAJWNZLU-UHFFFAOYSA-N -1 1 383.433 3.771 20 5 GHBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Br)cc1[O-] ZINC000744313385 868751245 /nfs/dbraw/zinc/75/12/45/868751245.db2.gz IMMSPILOIYPWFD-UHFFFAOYSA-N -1 1 399.628 3.989 20 5 GHBDMM CSc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC000744460539 868836543 /nfs/dbraw/zinc/83/65/43/868836543.db2.gz PANQEKIDPKJTGH-UHFFFAOYSA-N -1 1 375.402 3.624 20 5 GHBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)[nH]n2)o1 ZINC000446627132 870111512 /nfs/dbraw/zinc/11/15/12/870111512.db2.gz WTVQXPSJCOEQET-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000609115731 871747894 /nfs/dbraw/zinc/74/78/94/871747894.db2.gz KRAANHNMYQFTLG-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1ccc2nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)[nH]c2c1 ZINC000794068809 882553728 /nfs/dbraw/zinc/55/37/28/882553728.db2.gz FGKKRJJPRZOBDK-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2cccc3cccc1c32 ZINC001195138680 872194198 /nfs/dbraw/zinc/19/41/98/872194198.db2.gz XEDDLUALQZPZGX-MRXNPFEDSA-N -1 1 386.404 3.853 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000619568383 872747126 /nfs/dbraw/zinc/74/71/26/872747126.db2.gz ICNRJYNNDVFOOX-UHFFFAOYSA-N -1 1 390.417 3.827 20 5 GHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ncccc2F)n1 ZINC000769250724 873923743 /nfs/dbraw/zinc/92/37/43/873923743.db2.gz ZHZBDZPXBJGQIB-UHFFFAOYSA-N -1 1 380.307 3.783 20 5 GHBDMM O=C(Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000770400729 874647674 /nfs/dbraw/zinc/64/76/74/874647674.db2.gz NPRSVZUDGIBTLA-UHFFFAOYSA-N -1 1 378.340 3.772 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)c(C)c1 ZINC001198943955 874740793 /nfs/dbraw/zinc/74/07/93/874740793.db2.gz UZCVDJUOFXKJSW-UHFFFAOYSA-N -1 1 379.441 3.901 20 5 GHBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncnc3scc(-c4ccccc4)c32)n1 ZINC001273819848 875297125 /nfs/dbraw/zinc/29/71/25/875297125.db2.gz ASNYYTBGSHFIQT-UHFFFAOYSA-N -1 1 394.416 3.735 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000776504952 877299728 /nfs/dbraw/zinc/29/97/28/877299728.db2.gz XCGZAIBGCAMLHA-UHFFFAOYSA-N -1 1 398.824 3.672 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136183 877452369 /nfs/dbraw/zinc/45/23/69/877452369.db2.gz NSFAGVVDOBRDAG-CYBMUJFWSA-N -1 1 390.795 3.956 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2cccs2)s1 ZINC000609740633 883622439 /nfs/dbraw/zinc/62/24/39/883622439.db2.gz UXSJDWLPHQGFHW-ZDUSSCGKSA-N -1 1 394.499 3.980 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000761907945 884968951 /nfs/dbraw/zinc/96/89/51/884968951.db2.gz QZQGVFYLFJAHSI-UHFFFAOYSA-N -1 1 388.804 3.706 20 5 GHBDMM COC(=O)c1cc([N+](=O)[O-])c([N-][C@@H](c2ccccn2)C(F)(F)F)cc1OC ZINC001168485191 885222513 /nfs/dbraw/zinc/22/25/13/885222513.db2.gz FWMQJUYFAOOZBP-AWEZNQCLSA-N -1 1 385.298 3.501 20 5 GHBDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000919559806 885927897 /nfs/dbraw/zinc/92/78/97/885927897.db2.gz OKDZUCSLLAFXSJ-ZDUSSCGKSA-N -1 1 392.433 3.665 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176607178 886166199 /nfs/dbraw/zinc/16/61/99/886166199.db2.gz RJRCLHZQFPKTQD-UHFFFAOYSA-N -1 1 378.175 3.939 20 5 GHBDMM CCOc1cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc(Cl)c1[O-] ZINC000762626066 886559416 /nfs/dbraw/zinc/55/94/16/886559416.db2.gz WGHVYGSUCWGBPB-UHFFFAOYSA-N -1 1 376.796 3.864 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)cc1Cl ZINC000809833330 887852866 /nfs/dbraw/zinc/85/28/66/887852866.db2.gz YOCDGSYZKQWITD-UHFFFAOYSA-N -1 1 394.758 3.803 20 5 GHBDMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809839820 887857116 /nfs/dbraw/zinc/85/71/16/887857116.db2.gz OUZYNEPKANOVGG-ZETCQYMHSA-N -1 1 392.758 3.787 20 5 GHBDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000041817463 896792966 /nfs/dbraw/zinc/79/29/66/896792966.db2.gz UIUCBERKZYXJPU-UHFFFAOYSA-N -1 1 383.433 3.771 20 5 GHBDMM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000822686685 898564510 /nfs/dbraw/zinc/56/45/10/898564510.db2.gz UYXBNCIOONUWKU-UHFFFAOYSA-N -1 1 397.844 3.509 20 5 GHBDMM O=C([O-])c1ccc(OCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1 ZINC000569492010 898709603 /nfs/dbraw/zinc/70/96/03/898709603.db2.gz HEVGRUBXSSQGSR-UHFFFAOYSA-N -1 1 390.823 3.990 20 5 GHBDMM CC(=O)c1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1[O-] ZINC000572144281 900078163 /nfs/dbraw/zinc/07/81/63/900078163.db2.gz FNVWUCOOSWHSNN-UHFFFAOYSA-N -1 1 398.293 3.696 20 5 GHBDMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000885674946 900585280 /nfs/dbraw/zinc/58/52/80/900585280.db2.gz WTYMEKLJXOTDGW-UHFFFAOYSA-N -1 1 393.802 3.948 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CCc2ccccc2)cc1F 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O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC(C1CC1)C1CC1 ZINC000599669735 861464343 /nfs/dbraw/zinc/46/43/43/861464343.db2.gz KYOQQTKMGYQCQQ-UHFFFAOYSA-N -1 1 387.461 3.996 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000185814629 861559154 /nfs/dbraw/zinc/55/91/54/861559154.db2.gz LVJADJYBAMPPHQ-UHFFFAOYSA-N -1 1 377.347 3.559 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1C ZINC000135513154 846502337 /nfs/dbraw/zinc/50/23/37/846502337.db2.gz OQMSSEUUWHQDIT-UHFFFAOYSA-N -1 1 396.375 3.826 20 5 GHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000046588450 849501345 /nfs/dbraw/zinc/50/13/45/849501345.db2.gz KFYKHMQVMQFRGG-UHFFFAOYSA-N -1 1 397.412 3.648 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1 ZINC000427294864 852946153 /nfs/dbraw/zinc/94/61/53/852946153.db2.gz KRRPUXGOOFYVOW-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 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/nfs/dbraw/zinc/76/09/33/858760933.db2.gz IJUHGOUSUUHNIU-UHFFFAOYSA-N -1 1 387.417 3.731 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000316637101 859226948 /nfs/dbraw/zinc/22/69/48/859226948.db2.gz UFEAINNWGZSGPU-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1[N+](=O)[O-] ZINC000509397394 859314543 /nfs/dbraw/zinc/31/45/43/859314543.db2.gz STGBJTXGUGFAKN-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM Cc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1Br ZINC000597730784 859775669 /nfs/dbraw/zinc/77/56/69/859775669.db2.gz BFTDVXCRAGDUBD-UHFFFAOYSA-N -1 1 399.270 3.564 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000474406506 860004008 /nfs/dbraw/zinc/00/40/08/860004008.db2.gz CAGDKRWDEDCXKK-UHFFFAOYSA-N -1 1 394.453 3.565 20 5 GHBDMM Cc1ccc(CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000593738793 861119398 /nfs/dbraw/zinc/11/93/98/861119398.db2.gz YVKSAWDCYHAHTK-FQEVSTJZSA-N -1 1 398.459 3.825 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000734415752 864228102 /nfs/dbraw/zinc/22/81/02/864228102.db2.gz HDHTYIQZHWCYEF-UHFFFAOYSA-N -1 1 395.868 3.958 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000534205702 866270033 /nfs/dbraw/zinc/27/00/33/866270033.db2.gz VAVMBLPMMJHYJS-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003774 867628026 /nfs/dbraw/zinc/62/80/26/867628026.db2.gz BLVUNAVCZDZCCN-QMMMGPOBSA-N -1 1 382.203 3.762 20 5 GHBDMM COc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(Cl)c1[O-] ZINC000443205952 869679069 /nfs/dbraw/zinc/67/90/69/869679069.db2.gz FFVCFTDSBGMGFJ-UHFFFAOYSA-N -1 1 390.783 3.667 20 5 GHBDMM C[C@@H]1CC(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001192344538 870303366 /nfs/dbraw/zinc/30/33/66/870303366.db2.gz LUPSKPLMBTUXKX-UWVGGRQHSA-N -1 1 378.853 3.738 20 5 GHBDMM O=C([O-])/C=C/c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920959665 882474038 /nfs/dbraw/zinc/47/40/38/882474038.db2.gz GSXKLZKBCDHILP-PDFOZTTASA-N -1 1 385.420 3.925 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000618605712 871761804 /nfs/dbraw/zinc/76/18/04/871761804.db2.gz FHXUUWXLUSEQSR-UHFFFAOYSA-N -1 1 390.339 3.744 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000443458311 872890503 /nfs/dbraw/zinc/89/05/03/872890503.db2.gz ZSWXUPPUAPTEEE-OAHLLOKOSA-N -1 1 399.350 3.658 20 5 GHBDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2[nH]1 ZINC000768864267 873666433 /nfs/dbraw/zinc/66/64/33/873666433.db2.gz OBIAFGFCSYTHRU-UHFFFAOYSA-N -1 1 380.451 3.676 20 5 GHBDMM CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769047469 873759789 /nfs/dbraw/zinc/75/97/89/873759789.db2.gz JIOAWHDDTUTESB-ACJLOTCBSA-N -1 1 386.404 3.503 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000769657716 874217970 /nfs/dbraw/zinc/21/79/70/874217970.db2.gz PYBSGSFYQNPGBJ-UHFFFAOYSA-N -1 1 399.403 3.850 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1OCC ZINC000537651636 882935057 /nfs/dbraw/zinc/93/50/57/882935057.db2.gz MJVAYBMOEYPOCE-UHFFFAOYSA-N -1 1 380.422 3.501 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)C=Cc3ccc(F)cc3)n[nH]2)c1 ZINC000175639806 877413427 /nfs/dbraw/zinc/41/34/27/877413427.db2.gz WBRDHSVXMMLZNP-CMDGGOBGSA-N -1 1 388.380 3.537 20 5 GHBDMM CC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000068071856 877856589 /nfs/dbraw/zinc/85/65/89/877856589.db2.gz MHICQEJGXGZDJF-UHFFFAOYSA-N -1 1 385.243 3.759 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)cc1[N+](=O)[O-] ZINC000064374067 883228261 /nfs/dbraw/zinc/22/82/61/883228261.db2.gz SKQVSVGIALOHNO-UHFFFAOYSA-N -1 1 394.449 3.829 20 5 GHBDMM CSc1cc2c(cc1[N-]C(=O)c1cc(F)cc(C)c1[N+](=O)[O-])OCCO2 ZINC000760488423 884157435 /nfs/dbraw/zinc/15/74/35/884157435.db2.gz VNWAEOIXLIBEES-UHFFFAOYSA-N -1 1 378.381 3.788 20 5 GHBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000915834485 887682433 /nfs/dbraw/zinc/68/24/33/887682433.db2.gz MAZLNEBHWKAZIS-UHFFFAOYSA-N -1 1 399.315 3.663 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(Cl)cc1Cl ZINC000809809391 887820099 /nfs/dbraw/zinc/82/00/99/887820099.db2.gz OUVYVXNZKYRJCO-SNVBAGLBSA-N -1 1 387.244 3.520 20 5 GHBDMM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001133827343 891756485 /nfs/dbraw/zinc/75/64/85/891756485.db2.gz FNMYEQTXKQMUMD-UHFFFAOYSA-N -1 1 376.271 3.658 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000813756263 891928674 /nfs/dbraw/zinc/92/86/74/891928674.db2.gz BZTYTEBBIBTEFP-UHFFFAOYSA-N -1 1 390.248 3.510 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000537183662 894540582 /nfs/dbraw/zinc/54/05/82/894540582.db2.gz LAFLPKHEUWUHHB-LLVKDONJSA-N -1 1 388.854 3.502 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000565356406 895562093 /nfs/dbraw/zinc/56/20/93/895562093.db2.gz JJPRVEFIPBKFFM-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000567200450 896961056 /nfs/dbraw/zinc/96/10/56/896961056.db2.gz HYFAWRRQSWSDLY-UHFFFAOYSA-N -1 1 386.589 3.672 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000571250702 899803841 /nfs/dbraw/zinc/80/38/41/899803841.db2.gz WWQXGOVCVIRPPX-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(C)C)s2)cc1SC ZINC000264016682 902773487 /nfs/dbraw/zinc/77/34/87/902773487.db2.gz QGIZRGAGDVZCEF-UHFFFAOYSA-N -1 1 382.467 3.628 20 5 GHBDMM Cc1cccc(NC(=O)[C@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C(C)C)c1C ZINC000780074127 921705115 /nfs/dbraw/zinc/70/51/15/921705115.db2.gz CNDCSJCHOISNJD-GOSISDBHSA-N -1 1 386.404 3.737 20 5 GHBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000901997517 921799272 /nfs/dbraw/zinc/79/92/72/921799272.db2.gz QPOHALQOPWRSRG-HNNXBMFYSA-N -1 1 375.450 3.938 20 5 GHBDMM Cc1ccccc1C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC001191693683 918159564 /nfs/dbraw/zinc/15/95/64/918159564.db2.gz QZVHIZYSPGVEHK-UHFFFAOYSA-N -1 1 384.816 3.663 20 5 GHBDMM CCOc1cc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1OC(F)F ZINC000544296980 929028022 /nfs/dbraw/zinc/02/80/22/929028022.db2.gz BYNNWPCCKJVDGN-UHFFFAOYSA-N -1 1 380.307 3.564 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC000758406426 930036000 /nfs/dbraw/zinc/03/60/00/930036000.db2.gz BQBFLJXXCLBUBA-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000759077672 930266007 /nfs/dbraw/zinc/26/60/07/930266007.db2.gz QHFFPHKKDFPING-UHFFFAOYSA-N -1 1 393.440 3.833 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000781712960 930951212 /nfs/dbraw/zinc/95/12/12/930951212.db2.gz ONYADTWFFJQCDV-UHFFFAOYSA-N -1 1 395.314 3.504 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000782259865 931144331 /nfs/dbraw/zinc/14/43/31/931144331.db2.gz LOAZZLVVXAWOQB-UHFFFAOYSA-N -1 1 392.433 3.726 20 5 GHBDMM CSCc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000782499118 931243099 /nfs/dbraw/zinc/24/30/99/931243099.db2.gz LMCXAIOUVPIGDI-UHFFFAOYSA-N -1 1 386.882 3.590 20 5 GHBDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000783080026 931404893 /nfs/dbraw/zinc/40/48/93/931404893.db2.gz LSUALAITLVKQEC-ZDUSSCGKSA-N -1 1 392.433 3.665 20 5 GHBDMM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000777591839 932117529 /nfs/dbraw/zinc/11/75/29/932117529.db2.gz SENDGRBFLDREHV-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000777592527 932136715 /nfs/dbraw/zinc/13/67/15/932136715.db2.gz ZDJWCIGHGWDZFW-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM CCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000777599805 932193460 /nfs/dbraw/zinc/19/34/60/932193460.db2.gz RPOIZTHBRKVLFO-UHFFFAOYSA-N -1 1 393.421 3.526 20 5 GHBDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000797817117 932415310 /nfs/dbraw/zinc/41/53/10/932415310.db2.gz PRJCJZDBEJYTLX-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM O=C([N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000798015741 932493808 /nfs/dbraw/zinc/49/38/08/932493808.db2.gz OMBLRDRXWPEVDW-SMDDNHRTSA-N -1 1 386.276 3.776 20 5 GHBDMM O=C(Nc1ccc(Br)c([O-])c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001116758016 933740566 /nfs/dbraw/zinc/74/05/66/933740566.db2.gz NLOODWNWLDONIY-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM COc1cc(CN[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c([N+](=O)[O-])cc1F ZINC001599416239 997516736 /nfs/dbraw/zinc/51/67/36/997516736.db2.gz PXONCMPXAWOKRX-ODXCJYRJSA-N -1 1 388.395 3.710 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Br)c([N+](=O)[O-])c1 ZINC000469076672 1016425378 /nfs/dbraw/zinc/42/53/78/1016425378.db2.gz WVCVDGOTXRWXQC-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC(Oc3[n-]c(=S)nc4cnccc43)CC2)cc1 ZINC001227880402 1032664288 /nfs/dbraw/zinc/66/42/88/1032664288.db2.gz AQKJULSCJKOQID-UHFFFAOYSA-N -1 1 383.433 3.643 20 5 GHBDMM C[C@@H]1C[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952072 1021662233 /nfs/dbraw/zinc/66/22/33/1021662233.db2.gz JTMYXCBHQAXAHH-JNIYBQFBSA-N -1 1 385.258 3.677 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000755001911 1023011281 /nfs/dbraw/zinc/01/12/81/1023011281.db2.gz IUQPLDLTGGILMA-UHFFFAOYSA-N -1 1 393.440 3.752 20 5 GHBDMM O=C([N-]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)c1c(F)cccc1F ZINC000757053511 1023921206 /nfs/dbraw/zinc/92/12/06/1023921206.db2.gz KWFFTAGHFYJIJQ-UHFFFAOYSA-N -1 1 376.693 3.935 20 5 GHBDMM CC(C)(C)OC(=O)N1CCc2ncc(Nc3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC001210393096 1027484035 /nfs/dbraw/zinc/48/40/35/1027484035.db2.gz NTRXXOXZTFVPTL-UHFFFAOYSA-N -1 1 386.408 3.732 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001213396066 1028162622 /nfs/dbraw/zinc/16/26/22/1028162622.db2.gz WYVCVRRHYWIXTF-QGZVFWFLSA-N -1 1 393.440 3.729 20 5 GHBDMM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC001214172049 1028580411 /nfs/dbraw/zinc/58/04/11/1028580411.db2.gz QHISTYNQZQJVKF-UHFFFAOYSA-N -1 1 381.182 3.902 20 5 GHBDMM CCOC(=O)c1cccc([C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C(F)(F)F)c1 ZINC001225663217 1031526895 /nfs/dbraw/zinc/52/68/95/1031526895.db2.gz AAAWRVXNKPJALK-ZDUSSCGKSA-N -1 1 386.282 3.555 20 5 GHBDMM CCOC(=O)c1cccc([C@H](Oc2nccc([O-])c2[N+](=O)[O-])C(F)(F)F)c1 ZINC001225663217 1031526908 /nfs/dbraw/zinc/52/69/08/1031526908.db2.gz AAAWRVXNKPJALK-ZDUSSCGKSA-N -1 1 386.282 3.555 20 5 GHBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1c(F)cc(Br)cc1F ZINC001225664070 1031528372 /nfs/dbraw/zinc/52/83/72/1031528372.db2.gz INXDWVCFMLSAJV-LURJTMIESA-N -1 1 375.125 3.876 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229397748 1033456774 /nfs/dbraw/zinc/45/67/74/1033456774.db2.gz LGYRKENPRDJKDC-QFBILLFUSA-N -1 1 378.425 3.859 20 5 GHBDMM O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ncc(Br)cc3[O-])C2)cc1 ZINC001205882187 1033618725 /nfs/dbraw/zinc/61/87/25/1033618725.db2.gz JVIAIVVUKPRWSI-CYBMUJFWSA-N -1 1 392.253 3.838 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@@H]3COc4ccccc4O3)c(O)cc12 ZINC001229800986 1033725839 /nfs/dbraw/zinc/72/58/39/1033725839.db2.gz CYABKVXMPLPUCO-ZDUSSCGKSA-N -1 1 392.363 3.576 20 5 GHBDMM COc1ccc([C@@H](NC(C)C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001161074748 1035135718 /nfs/dbraw/zinc/13/57/18/1035135718.db2.gz NOSOCZGKBXVTRH-MRXNPFEDSA-N -1 1 393.827 3.640 20 5 GHBDMM COC(=O)c1cccc2[n-]c(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)nc21 ZINC001234045752 1039782271 /nfs/dbraw/zinc/78/22/71/1039782271.db2.gz WHXOHGRTLBHFLA-CQSZACIVSA-N -1 1 395.293 3.940 20 5 GHBDMM COC(=O)c1nc(-c2ccccc2)[n-]c(=O)c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234555453 1040125977 /nfs/dbraw/zinc/12/59/77/1040125977.db2.gz UTOVQVOHBMFDBS-GFCCVEGCSA-N -1 1 395.371 3.684 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3CC[C@@]4(CCCCO4)O3)c12 ZINC001234748534 1040275549 /nfs/dbraw/zinc/27/55/49/1040275549.db2.gz SIYADOPEEHEENC-IVZQSRNASA-N -1 1 398.411 3.812 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001234878242 1040393591 /nfs/dbraw/zinc/39/35/91/1040393591.db2.gz UJMSBRBFRDQDGX-IAQYHMDHSA-N -1 1 388.214 3.518 20 5 GHBDMM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)c([O-])c1 ZINC001296433844 1045313667 /nfs/dbraw/zinc/31/36/67/1045313667.db2.gz FQONQNFVEHMRMY-UHFFFAOYSA-N -1 1 385.601 3.898 20 5 GHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC001264781588 1047441266 /nfs/dbraw/zinc/44/12/66/1047441266.db2.gz ITMIOCOCPQSLIM-UHFFFAOYSA-N -1 1 387.783 3.684 20 5 GHBDMM O=C([N-]c1cccc2nccnc12)c1sc(Br)cc1[N+](=O)[O-] ZINC001288081861 1048979593 /nfs/dbraw/zinc/97/95/93/1048979593.db2.gz YUSFHXXZWZDZFI-UHFFFAOYSA-N -1 1 379.195 3.614 20 5 GHBDMM C[C@H](SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001307294170 1049185817 /nfs/dbraw/zinc/18/58/17/1049185817.db2.gz OJFBOVSFKZNTIP-NSHDSACASA-N -1 1 378.837 3.999 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2cccc(Cl)c2)cc1Cl ZINC001308999343 1050259155 /nfs/dbraw/zinc/25/91/55/1050259155.db2.gz PYKBHGKJECQNGH-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1cccc(C)c1 ZINC001309068780 1050319927 /nfs/dbraw/zinc/31/99/27/1050319927.db2.gz AUFFTZCFBOTMBT-CYBMUJFWSA-N -1 1 398.868 3.693 20 5 GHBDMM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC001309204761 1050470020 /nfs/dbraw/zinc/47/00/20/1050470020.db2.gz YCRRNLAFNQGREJ-LLVKDONJSA-N -1 1 386.832 3.778 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2F)C(C)C)cc1F ZINC001309661091 1050906276 /nfs/dbraw/zinc/90/62/76/1050906276.db2.gz LICXFQUGBDTSGJ-QGZVFWFLSA-N -1 1 384.404 3.857 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c(Cl)c1 ZINC001309698809 1050925807 /nfs/dbraw/zinc/92/58/07/1050925807.db2.gz SXGYBSRKHJDGCR-ZDUSSCGKSA-N -1 1 382.816 3.741 20 5 GHBDMM Cc1cccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309715150 1050935502 /nfs/dbraw/zinc/93/55/02/1050935502.db2.gz RNVRWZXPPRBEQI-HNNXBMFYSA-N -1 1 380.853 3.913 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c(Cl)c1 ZINC001321448767 1056267070 /nfs/dbraw/zinc/26/70/70/1056267070.db2.gz AWDFQDZYZLNZDB-UHFFFAOYSA-N -1 1 395.799 3.979 20 5 GHBDMM O=C(Nc1nc(Br)ccc1[O-])C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001447924047 1060063973 /nfs/dbraw/zinc/06/39/73/1060063973.db2.gz CBYFLJLGOUXJGC-UHFFFAOYSA-N -1 1 392.209 3.518 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001434897805 1062089146 /nfs/dbraw/zinc/08/91/46/1062089146.db2.gz BMZOVRPXAOGGNF-UHFFFAOYSA-N -1 1 379.710 3.564 20 5 GHBDMM O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC001471575826 1073143458 /nfs/dbraw/zinc/14/34/58/1073143458.db2.gz PJLIECUQPWDPFD-UHFFFAOYSA-N -1 1 385.601 3.646 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC001475574979 1074918036 /nfs/dbraw/zinc/91/80/36/1074918036.db2.gz LGWOXNUWELXTRQ-AMJWSMQMSA-N -1 1 376.837 3.634 20 5 GHBDMM CCC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001546246865 1079410798 /nfs/dbraw/zinc/41/07/98/1079410798.db2.gz ZMYQPIRBZGWBJJ-CYBMUJFWSA-N -1 1 383.326 3.985 20 5 GHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000824657183 607450130 /nfs/dbraw/zinc/45/01/30/607450130.db2.gz PKGHYTDBUHIGSF-SECBINFHSA-N -1 1 389.213 3.711 20 5 GHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000824657183 607450131 /nfs/dbraw/zinc/45/01/31/607450131.db2.gz PKGHYTDBUHIGSF-SECBINFHSA-N -1 1 389.213 3.711 20 5 GHBDMM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263386504 604528099 /nfs/dbraw/zinc/52/80/99/604528099.db2.gz CZHZOUBSCXCLLM-CQSZACIVSA-N -1 1 395.209 3.666 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(C(F)(F)F)ccc1Cl ZINC000823629977 607164062 /nfs/dbraw/zinc/16/40/62/607164062.db2.gz OSJCSMXEYFIFRB-UHFFFAOYSA-N -1 1 386.677 3.634 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cc(C(F)(F)F)ccc1Cl ZINC000823629977 607164063 /nfs/dbraw/zinc/16/40/63/607164063.db2.gz OSJCSMXEYFIFRB-UHFFFAOYSA-N -1 1 386.677 3.634 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826293305 608350607 /nfs/dbraw/zinc/35/06/07/608350607.db2.gz KQKMFUGRUPSKSN-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826293305 608350608 /nfs/dbraw/zinc/35/06/08/608350608.db2.gz KQKMFUGRUPSKSN-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM CCOc1ccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000536044733 834476593 /nfs/dbraw/zinc/47/65/93/834476593.db2.gz AAGPEDWNJSUYLX-UHFFFAOYSA-N -1 1 392.824 3.773 20 5 GHBDMM CC(C)Sc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471136181 834893283 /nfs/dbraw/zinc/89/32/83/834893283.db2.gz IJUVWWNWPONUEX-UHFFFAOYSA-N -1 1 396.446 3.594 20 5 GHBDMM CCc1cccc2c(C3CCN(C(=O)c4c[n-]c(=O)c([N+](=O)[O-])c4)CC3)c[nH]c21 ZINC000186994831 834953679 /nfs/dbraw/zinc/95/36/79/834953679.db2.gz PGAVINJDUWLGDI-UHFFFAOYSA-N -1 1 394.431 3.759 20 5 GHBDMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000610194118 834995630 /nfs/dbraw/zinc/99/56/30/834995630.db2.gz OBRDBLDQMRCIGY-UHFFFAOYSA-N -1 1 382.463 3.657 20 5 GHBDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc2)co1 ZINC000612599686 836471370 /nfs/dbraw/zinc/47/13/70/836471370.db2.gz IEGXKDBEYLCPNP-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000728933054 844230908 /nfs/dbraw/zinc/23/09/08/844230908.db2.gz MGQCEOSMPNVXTF-NSHDSACASA-N -1 1 384.454 3.885 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)c1 ZINC000473412705 844339914 /nfs/dbraw/zinc/33/99/14/844339914.db2.gz JBNUQEFEUPWMPJ-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188139544 838548737 /nfs/dbraw/zinc/54/87/37/838548737.db2.gz NKQZRFHBLYUGET-VIFPVBQESA-N -1 1 385.405 3.871 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(-c2ccccc2)cs1 ZINC000107310718 841242422 /nfs/dbraw/zinc/24/24/22/841242422.db2.gz XBUNSWIEHZHXKP-JTQLQIEISA-N -1 1 395.487 3.819 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c1C ZINC000610955206 844908549 /nfs/dbraw/zinc/90/85/49/844908549.db2.gz VZPZLVKCYDQZQG-UHFFFAOYSA-N -1 1 396.375 3.757 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000487125113 850461450 /nfs/dbraw/zinc/46/14/50/850461450.db2.gz XMWHGGODMJKGKJ-OAHLLOKOSA-N -1 1 398.893 3.557 20 5 GHBDMM Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1[N+](=O)[O-] ZINC000132928325 862330751 /nfs/dbraw/zinc/33/07/51/862330751.db2.gz UXLOCBXBXLSMBW-SNVBAGLBSA-N -1 1 379.210 3.862 20 5 GHBDMM CCC[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nn[n-]n1 ZINC000426878879 852501033 /nfs/dbraw/zinc/50/10/33/852501033.db2.gz MKDZFRSSYNBMBX-MRXNPFEDSA-N -1 1 398.448 3.530 20 5 GHBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)c(C)c([N+](=O)[O-])c1 ZINC000489787960 852586660 /nfs/dbraw/zinc/58/66/60/852586660.db2.gz PAMOUWVEIWSZFJ-UHFFFAOYSA-N -1 1 395.371 3.906 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438813802 852875866 /nfs/dbraw/zinc/87/58/66/852875866.db2.gz ZKGQHJUSRILFEA-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1C ZINC000481869523 862446847 /nfs/dbraw/zinc/44/68/47/862446847.db2.gz DWXMUYFOEWVVNR-UHFFFAOYSA-N -1 1 382.825 3.601 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000482021277 862615298 /nfs/dbraw/zinc/61/52/98/862615298.db2.gz SLUJRGWYQFIVPW-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM C[C@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000542760867 855655359 /nfs/dbraw/zinc/65/53/59/855655359.db2.gz QGMMAQTVCBCUMO-VIFPVBQESA-N -1 1 390.321 3.566 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591013691 855721266 /nfs/dbraw/zinc/72/12/66/855721266.db2.gz FUMDZSSRSGPWHF-VQTJNVASSA-N -1 1 394.427 3.525 20 5 GHBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441798625 856408040 /nfs/dbraw/zinc/40/80/40/856408040.db2.gz SODJFYBERSAQTH-OAHLLOKOSA-N -1 1 386.795 3.807 20 5 GHBDMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001128887266 856913548 /nfs/dbraw/zinc/91/35/48/856913548.db2.gz AULQZJDVXMOMGR-UHFFFAOYSA-N -1 1 395.371 3.987 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1-c1ncco1 ZINC000164759170 862932565 /nfs/dbraw/zinc/93/25/65/862932565.db2.gz SWJBDZRRCNYTDF-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000593333378 859445529 /nfs/dbraw/zinc/44/55/29/859445529.db2.gz VMVJJQXHSZMDOG-CQSZACIVSA-N -1 1 397.225 3.912 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c1C ZINC000060738582 859960803 /nfs/dbraw/zinc/96/08/03/859960803.db2.gz AVNAYEZCGJTLGX-UHFFFAOYSA-N -1 1 378.406 3.520 20 5 GHBDMM O=C(Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 ZINC000772817909 881574337 /nfs/dbraw/zinc/57/43/37/881574337.db2.gz VIEHJUGKFAVYBB-UHFFFAOYSA-N -1 1 396.330 3.911 20 5 GHBDMM CSc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000509088531 860942208 /nfs/dbraw/zinc/94/22/08/860942208.db2.gz CPGIPSMXCVAOSW-UHFFFAOYSA-N -1 1 390.446 3.508 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1[N+](=O)[O-] ZINC000480212901 864246959 /nfs/dbraw/zinc/24/69/59/864246959.db2.gz IKJLRMDTKFWJTQ-UHFFFAOYSA-N -1 1 382.413 3.939 20 5 GHBDMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000174287467 865675418 /nfs/dbraw/zinc/67/54/18/865675418.db2.gz GAMPDSUDSZMZGZ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2cccs2)CCCCC1 ZINC000739976029 865818409 /nfs/dbraw/zinc/81/84/09/865818409.db2.gz JEPVGFDEIAQBOL-UHFFFAOYSA-N -1 1 398.481 3.976 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000534205609 866270579 /nfs/dbraw/zinc/27/05/79/866270579.db2.gz MTLMGLHNNYWMFS-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000534206900 866272744 /nfs/dbraw/zinc/27/27/44/866272744.db2.gz CIPZZGCLGBDYLU-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000534207639 866276039 /nfs/dbraw/zinc/27/60/39/866276039.db2.gz NOZDTJQYIKGWBI-SECBINFHSA-N -1 1 382.825 3.681 20 5 GHBDMM CCN(CC)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC000540168149 870651114 /nfs/dbraw/zinc/65/11/14/870651114.db2.gz FTXYBEQEZPLOSH-INIZCTEOSA-N -1 1 391.855 3.767 20 5 GHBDMM CC1(C)[C@@H](c2ccccc2)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001192830247 870702160 /nfs/dbraw/zinc/70/21/60/870702160.db2.gz YFARWQWSEKGKDZ-HOCLYGCPSA-N -1 1 380.853 3.719 20 5 GHBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1-c1cccs1 ZINC000446951351 870788746 /nfs/dbraw/zinc/78/87/46/870788746.db2.gz UYLFPCKLFQPFBY-UHFFFAOYSA-N -1 1 392.462 3.718 20 5 GHBDMM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045762 873758549 /nfs/dbraw/zinc/75/85/49/873758549.db2.gz DUQCFFBWDCBCFT-CHWSQXEVSA-N -1 1 386.404 3.998 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c([O-])c1 ZINC000769898906 874330221 /nfs/dbraw/zinc/33/02/21/874330221.db2.gz DPRRAANFXBFJBU-UHFFFAOYSA-N -1 1 399.403 3.850 20 5 GHBDMM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000770284574 874568603 /nfs/dbraw/zinc/56/86/03/874568603.db2.gz VHMJRHKDRIZTAS-LBPRGKRZSA-N -1 1 384.454 3.501 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000491580008 875805110 /nfs/dbraw/zinc/80/51/10/875805110.db2.gz WVOOVDMZEWMHTE-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1[N+](=O)[O-] ZINC000491585142 875807775 /nfs/dbraw/zinc/80/77/75/875807775.db2.gz APSOJYCVOOYBBQ-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000491806504 875968432 /nfs/dbraw/zinc/96/84/32/875968432.db2.gz HHCLLFURSZUJGY-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1Cl ZINC000788217776 877923328 /nfs/dbraw/zinc/92/33/28/877923328.db2.gz VVPIWYJHPROUJQ-UHFFFAOYSA-N -1 1 390.808 3.506 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000761842445 884775291 /nfs/dbraw/zinc/77/52/91/884775291.db2.gz SQFFPPGXBNHMQR-UHFFFAOYSA-N -1 1 386.861 3.669 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000609219669 886227571 /nfs/dbraw/zinc/22/75/71/886227571.db2.gz KVDLSYMOGZZJMG-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000193486490 886365039 /nfs/dbraw/zinc/36/50/39/886365039.db2.gz HWIKLZDUCPRTRJ-SNVBAGLBSA-N -1 1 383.326 3.938 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cccc(F)c1F ZINC000809830251 887884434 /nfs/dbraw/zinc/88/44/34/887884434.db2.gz PXCHXDOYHCVSNW-ZETCQYMHSA-N -1 1 394.758 3.705 20 5 GHBDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000614857118 888311145 /nfs/dbraw/zinc/31/11/45/888311145.db2.gz ZIIPRMVMJDMQLS-UHFFFAOYSA-N -1 1 394.293 3.623 20 5 GHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)c(F)c2F)cc1OC ZINC001132716082 889354822 /nfs/dbraw/zinc/35/48/22/889354822.db2.gz MVEIXLAZYFILCG-UHFFFAOYSA-N -1 1 388.273 3.811 20 5 GHBDMM Cc1ccc(S(=O)(=O)Nc2cccc3nc4ccccc4nc32)cc1C(=O)[O-] ZINC001184697322 913363864 /nfs/dbraw/zinc/36/38/64/913363864.db2.gz PULRGMOOPXNQON-UHFFFAOYSA-N -1 1 393.424 3.590 20 5 GHBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130242215 889904298 /nfs/dbraw/zinc/90/42/98/889904298.db2.gz TYIRXIXZZRRCTI-UHFFFAOYSA-N -1 1 391.412 3.838 20 5 GHBDMM CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000729412663 891614422 /nfs/dbraw/zinc/61/44/22/891614422.db2.gz GNZGZCSODANJAJ-UHFFFAOYSA-N -1 1 386.408 3.863 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2sc(Cl)cc21 ZINC000813753060 891926258 /nfs/dbraw/zinc/92/62/58/891926258.db2.gz RVJOQKLCOOVAJH-SNVBAGLBSA-N -1 1 390.845 3.805 20 5 GHBDMM Cc1cc(N2CCN([C@@H](C)c3ccsc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568869223 898178017 /nfs/dbraw/zinc/17/80/17/898178017.db2.gz RLFJCYSPOVNQSI-ZDUSSCGKSA-N -1 1 375.450 3.546 20 5 GHBDMM COc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1[O-] ZINC000824177251 899445498 /nfs/dbraw/zinc/44/54/98/899445498.db2.gz VMDANXQRPNUKJS-UHFFFAOYSA-N -1 1 385.203 3.888 20 5 GHBDMM CC(C)n1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)n[n-]c1=S ZINC000068447037 901088500 /nfs/dbraw/zinc/08/85/00/901088500.db2.gz FVQDWKWRGSMDDE-UHFFFAOYSA-N -1 1 393.444 3.589 20 5 GHBDMM Cc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC001148264841 904020094 /nfs/dbraw/zinc/02/00/94/904020094.db2.gz SUQGSGNZHDZHEN-SNVBAGLBSA-N -1 1 379.210 3.862 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1[N+](=O)[O-] ZINC000191907419 907311600 /nfs/dbraw/zinc/31/16/00/907311600.db2.gz NOCMLJWONNBNJI-UHFFFAOYSA-N -1 1 396.375 3.826 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000795358302 910054046 /nfs/dbraw/zinc/05/40/46/910054046.db2.gz MFKIYHQUITYFCH-AULYBMBSSA-N -1 1 384.816 3.612 20 5 GHBDMM Cc1cccc(Oc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001182647300 911949680 /nfs/dbraw/zinc/94/96/80/911949680.db2.gz XXKJBXKVRVTCJK-UHFFFAOYSA-N -1 1 379.372 3.726 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3s2)cc1F ZINC001187038150 914971136 /nfs/dbraw/zinc/97/11/36/914971136.db2.gz AHMKQNWIXKLBSS-SNVBAGLBSA-N -1 1 395.437 3.692 20 5 GHBDMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001187875765 915601025 /nfs/dbraw/zinc/60/10/25/915601025.db2.gz SBCMYOPRTCYERU-ZYHUDNBSSA-N -1 1 399.321 3.854 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2F)cc1F ZINC001188757669 916183864 /nfs/dbraw/zinc/18/38/64/916183864.db2.gz CXDBWPTXWLQPHZ-SECBINFHSA-N -1 1 390.795 3.874 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000725824281 926459396 /nfs/dbraw/zinc/45/93/96/926459396.db2.gz PVSKQOUBPBBZGR-UHFFFAOYSA-N -1 1 386.882 3.667 20 5 GHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc([N+](=O)[O-])ccc1Br ZINC000751070755 928012443 /nfs/dbraw/zinc/01/24/43/928012443.db2.gz LCMUEXPYBZTHIE-UHFFFAOYSA-N -1 1 395.194 3.721 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000544646635 929384401 /nfs/dbraw/zinc/38/44/01/929384401.db2.gz MKUYPGOWVLBTJG-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000757920309 929855603 /nfs/dbraw/zinc/85/56/03/929855603.db2.gz AMNSLXLXZFSBGC-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000758148392 929947559 /nfs/dbraw/zinc/94/75/59/929947559.db2.gz VKJMGPVNDMETNJ-UHFFFAOYSA-N -1 1 393.421 3.581 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000558053250 931817923 /nfs/dbraw/zinc/81/79/23/931817923.db2.gz CIANYEGJZBVJBD-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000777590677 932109172 /nfs/dbraw/zinc/10/91/72/932109172.db2.gz IDPHQGCQRZWJCN-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM O=C([N-]CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000798403422 932633750 /nfs/dbraw/zinc/63/37/50/932633750.db2.gz ZWWPPSZEFVFHLA-UHFFFAOYSA-N -1 1 399.291 3.509 20 5 GHBDMM O=C([N-]Cc1ccccc1OC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777921421 934124670 /nfs/dbraw/zinc/12/46/70/934124670.db2.gz XADXUKPUVSSKPR-UHFFFAOYSA-N -1 1 390.264 3.902 20 5 GHBDMM Cc1cccc([C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398206 958795513 /nfs/dbraw/zinc/79/55/13/958795513.db2.gz UCTDLNCCBDJDAY-HNNXBMFYSA-N -1 1 379.210 3.581 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001591790967 975979588 /nfs/dbraw/zinc/97/95/88/975979588.db2.gz FDPOXVRYBXZQJP-AWEZNQCLSA-N -1 1 388.420 3.696 20 5 GHBDMM CC(C)(C)c1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC001590481616 990075139 /nfs/dbraw/zinc/07/51/39/990075139.db2.gz KSSKKPXEXCWTEP-UHFFFAOYSA-N -1 1 382.376 3.719 20 5 GHBDMM C[C@@](NCc1cc(Br)ccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593288460 994655897 /nfs/dbraw/zinc/65/58/97/994655897.db2.gz KGLCFNKXMNNMAJ-INIZCTEOSA-N -1 1 397.200 3.586 20 5 GHBDMM O=c1c2cc(OC3CN(Cc4ccccc4)C3)c([O-])cc2oc2cccc(O)c12 ZINC001227307195 1032365070 /nfs/dbraw/zinc/36/50/70/1032365070.db2.gz SOEDLIVXGROUGA-UHFFFAOYSA-N -1 1 389.407 3.621 20 5 GHBDMM CSc1nc(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)cc(=O)[n-]1 ZINC001155991731 1032826046 /nfs/dbraw/zinc/82/60/46/1032826046.db2.gz YVBATUKCHIOLLX-UHFFFAOYSA-N -1 1 395.469 3.867 20 5 GHBDMM CC(C)Oc1cc(F)c(COc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])c(F)c1 ZINC001228609769 1033005881 /nfs/dbraw/zinc/00/58/81/1033005881.db2.gz IGWOQMNLYLMQFY-UHFFFAOYSA-N -1 1 381.335 3.612 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000754839609 1022924706 /nfs/dbraw/zinc/92/47/06/1022924706.db2.gz GSLJLUJERBDBCR-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000755003284 1023013458 /nfs/dbraw/zinc/01/34/58/1023013458.db2.gz VUDOFZJWRXUTLW-UHFFFAOYSA-N -1 1 393.421 3.581 20 5 GHBDMM COc1ccccc1OC[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859660 1033143213 /nfs/dbraw/zinc/14/32/13/1033143213.db2.gz MQZOMJOSYAEZQT-SECBINFHSA-N -1 1 388.298 3.569 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c1Cl ZINC000831104701 1024358760 /nfs/dbraw/zinc/35/87/60/1024358760.db2.gz CGJNFFHLCOSUBW-SNVBAGLBSA-N -1 1 397.280 3.529 20 5 GHBDMM CC(C)(C)OC(=O)N[C@H]1CCc2nc([N-]c3ccc([N+](=O)[O-])nc3)sc2C1 ZINC001203560701 1027433851 /nfs/dbraw/zinc/43/38/51/1027433851.db2.gz NVUKMDMTHJGCJA-JTQLQIEISA-N -1 1 391.453 3.572 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ccnc(Cl)c2I)ccc1[O-] ZINC001210392783 1027483627 /nfs/dbraw/zinc/48/36/27/1027483627.db2.gz NKERNAPBTFQQEZ-UHFFFAOYSA-N -1 1 391.552 3.697 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C(=O)OCc2ccccc2)c2ccccc2)n1 ZINC001231261029 1034489601 /nfs/dbraw/zinc/48/96/01/1034489601.db2.gz XOAQHARGLCWGLK-IBGZPJMESA-N -1 1 394.383 3.867 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CC[C@H](N(C)C(=O)OC(C)(C)C)CC2)n1 ZINC001231259812 1034489718 /nfs/dbraw/zinc/48/97/18/1034489718.db2.gz PVXTXNFQECNKMF-JOCQHMNTSA-N -1 1 381.429 3.561 20 5 GHBDMM CO[C@@H](COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ccccc1 ZINC001234125247 1039865659 /nfs/dbraw/zinc/86/56/59/1039865659.db2.gz PUFCYXOTQJLMQB-SFHVURJKSA-N -1 1 394.379 3.830 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741800 1040268476 /nfs/dbraw/zinc/26/84/76/1040268476.db2.gz MFCQKUVPJNZPTB-TZMCWYRMSA-N -1 1 398.411 3.858 20 5 GHBDMM C[C@@H](COc1ccccc1)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749822 1040276471 /nfs/dbraw/zinc/27/64/71/1040276471.db2.gz DSRZGUFUENIDQL-LBPRGKRZSA-N -1 1 394.379 3.909 20 5 GHBDMM O=c1c2ccc(O)c(O[C@@H]3CCc4ccccc4C3)c2oc2cc([O-])cc(O)c12 ZINC001234749678 1040277131 /nfs/dbraw/zinc/27/71/31/1040277131.db2.gz CXKDFPDEDMWMDQ-OAHLLOKOSA-N -1 1 390.391 3.999 20 5 GHBDMM O=c1c2ccc(O)c(O[C@H]3CCc4cccnc43)c2oc2cc([O-])cc(O)c12 ZINC001234750718 1040277535 /nfs/dbraw/zinc/27/75/35/1040277535.db2.gz NILJMKFVGFWIKV-HNNXBMFYSA-N -1 1 377.352 3.524 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H]4CCCC(=O)C4(C)C)cc([O-])cc3oc21 ZINC001234750905 1040279455 /nfs/dbraw/zinc/27/94/55/1040279455.db2.gz HSVKZIWUDBZEAG-KRWDZBQOSA-N -1 1 398.411 3.893 20 5 GHBDMM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C2 ZINC001234882101 1040397339 /nfs/dbraw/zinc/39/73/39/1040397339.db2.gz VCGBNEILTOQCJK-LBPRGKRZSA-N -1 1 395.165 3.517 20 5 GHBDMM Cc1ccc(CSc2nc([N-]C(=O)c3cc(F)ccc3[N+](=O)[O-])n[nH]2)cc1 ZINC001305447516 1048060106 /nfs/dbraw/zinc/06/01/06/1048060106.db2.gz XGAJKGMWDSARKJ-UHFFFAOYSA-N -1 1 387.396 3.705 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](c1cccs1)C1CC1 ZINC001309029779 1050286162 /nfs/dbraw/zinc/28/61/62/1050286162.db2.gz BSWHDHISYVLVHW-CQSZACIVSA-N -1 1 390.845 3.878 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc2occc2c1 ZINC001309664190 1050907697 /nfs/dbraw/zinc/90/76/97/1050907697.db2.gz SNTAMHRJHFONTR-UHFFFAOYSA-N -1 1 384.772 3.612 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c(Cl)c1 ZINC001309698806 1050925914 /nfs/dbraw/zinc/92/59/14/1050925914.db2.gz SXGYBSRKHJDGCR-CYBMUJFWSA-N -1 1 382.816 3.741 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(C(F)F)c1 ZINC001325955991 1057388222 /nfs/dbraw/zinc/38/82/22/1057388222.db2.gz MOIYJWIQCNKMDJ-UHFFFAOYSA-N -1 1 376.768 3.664 20 5 GHBDMM CC(C)(C(=O)Nc1cccc([O-])c1Br)c1ccc([N+](=O)[O-])cc1 ZINC001449940244 1060487945 /nfs/dbraw/zinc/48/79/45/1060487945.db2.gz NYWUHSXGHSRZCC-UHFFFAOYSA-N -1 1 379.210 3.979 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)cc1Cl ZINC001464142387 1064854396 /nfs/dbraw/zinc/85/43/96/1064854396.db2.gz GRDOSAAOHSJOPW-UHFFFAOYSA-N -1 1 390.864 3.882 20 5 GHBDMM Cc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c2c1 ZINC001464805260 1065221422 /nfs/dbraw/zinc/22/14/22/1065221422.db2.gz OTPDOKDLDDDREH-UHFFFAOYSA-N -1 1 393.852 3.559 20 5 GHBDMM C[C@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473094131 1073778923 /nfs/dbraw/zinc/77/89/23/1073778923.db2.gz IMWCATUHYYPBGM-LBPRGKRZSA-N -1 1 396.428 3.877 20 5 GHBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000820926935 606478985 /nfs/dbraw/zinc/47/89/85/606478985.db2.gz XULUPUYGNRMNDM-OAHLLOKOSA-N -1 1 375.392 3.886 20 5 GHBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000820926935 606478986 /nfs/dbraw/zinc/47/89/86/606478986.db2.gz XULUPUYGNRMNDM-OAHLLOKOSA-N -1 1 375.392 3.886 20 5 GHBDMM O=[N+]([O-])c1cc(N2CCC(c3c[nH]c4ccccc43)CC2)ccc1-c1nn[n-]n1 ZINC000823634453 606645063 /nfs/dbraw/zinc/64/50/63/606645063.db2.gz FWRSKSLQBQVLTN-UHFFFAOYSA-N -1 1 389.419 3.640 20 5 GHBDMM CCOCCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000052456362 844411482 /nfs/dbraw/zinc/41/14/82/844411482.db2.gz YENSURHWEXGSKS-UHFFFAOYSA-N -1 1 393.465 3.624 20 5 GHBDMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000511696200 840511876 /nfs/dbraw/zinc/51/18/76/840511876.db2.gz UYIVPDBYZZBRTN-GFCCVEGCSA-N -1 1 380.422 3.582 20 5 GHBDMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000055592107 861264557 /nfs/dbraw/zinc/26/45/57/861264557.db2.gz RMAVMZDFQVGGSR-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000111666277 842088967 /nfs/dbraw/zinc/08/89/67/842088967.db2.gz MJERZFKWHWDPEN-UHFFFAOYSA-N -1 1 375.812 3.809 20 5 GHBDMM CCOc1cc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000302721867 861337100 /nfs/dbraw/zinc/33/71/00/861337100.db2.gz MKKKWBLCJPQYJR-UHFFFAOYSA-N -1 1 393.359 3.620 20 5 GHBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])c2C)o1 ZINC000135408141 843345031 /nfs/dbraw/zinc/34/50/31/843345031.db2.gz OUQCBOZSQKUTLU-UHFFFAOYSA-N -1 1 390.421 3.612 20 5 GHBDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000512839067 843861210 /nfs/dbraw/zinc/86/12/10/843861210.db2.gz QSTTXOOHCWVBDA-GFCCVEGCSA-N -1 1 380.422 3.582 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000119517351 845484752 /nfs/dbraw/zinc/48/47/52/845484752.db2.gz UZZFQJDJRFWPAB-MRXNPFEDSA-N -1 1 392.820 3.909 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000501154379 846687001 /nfs/dbraw/zinc/68/70/01/846687001.db2.gz GBUYCSIZZQWKIM-QMMMGPOBSA-N -1 1 376.768 3.566 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000135667190 848316419 /nfs/dbraw/zinc/31/64/19/848316419.db2.gz RJZDNOUNMHHBTH-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000185907194 861916773 /nfs/dbraw/zinc/91/67/73/861916773.db2.gz ZDVVLFRZZYZKMG-UHFFFAOYSA-N -1 1 395.337 3.734 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000467399792 851004642 /nfs/dbraw/zinc/00/46/42/851004642.db2.gz QODRFIRBOIZIFL-LLVKDONJSA-N -1 1 394.396 3.937 20 5 GHBDMM CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000910368455 851159325 /nfs/dbraw/zinc/15/93/25/851159325.db2.gz AQDHXEDDBAQVTR-DOTOQJQBSA-N -1 1 375.812 3.804 20 5 GHBDMM CCN(C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)c1ccccc1 ZINC000489255195 852173358 /nfs/dbraw/zinc/17/33/58/852173358.db2.gz LOASWSMVDYQJOS-UHFFFAOYSA-N -1 1 392.415 3.771 20 5 GHBDMM CCc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000518188219 853038566 /nfs/dbraw/zinc/03/85/66/853038566.db2.gz DFSMISLWINIJMY-UHFFFAOYSA-N -1 1 385.239 3.721 20 5 GHBDMM Cc1c(=O)[n-]c(SCCOc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000163911207 853624424 /nfs/dbraw/zinc/62/44/24/853624424.db2.gz ORTCYFJHSLNTNL-UHFFFAOYSA-N -1 1 383.429 3.825 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c2ncccc12 ZINC000184863540 857316270 /nfs/dbraw/zinc/31/62/70/857316270.db2.gz IMDJQMOXZYOPTO-UHFFFAOYSA-N -1 1 399.762 3.875 20 5 GHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])[nH]n1 ZINC000594706557 858260910 /nfs/dbraw/zinc/26/09/10/858260910.db2.gz UNIYZVADLBAOOL-NSHDSACASA-N -1 1 389.437 3.571 20 5 GHBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1Cc1ccc(F)cc1F ZINC000521968369 858493861 /nfs/dbraw/zinc/49/38/61/858493861.db2.gz ULKLADDZYIAXEW-UHFFFAOYSA-N -1 1 378.360 3.809 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000598453243 860320260 /nfs/dbraw/zinc/32/02/60/860320260.db2.gz QOIIYFUAFJMXSC-NSHDSACASA-N -1 1 397.353 3.808 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000730573752 861178689 /nfs/dbraw/zinc/17/86/89/861178689.db2.gz BRBRBJPSZWXFJP-SNVBAGLBSA-N -1 1 380.422 3.988 20 5 GHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294911588 863796580 /nfs/dbraw/zinc/79/65/80/863796580.db2.gz JBAQNWTZVZDQMH-UHFFFAOYSA-N -1 1 383.330 3.963 20 5 GHBDMM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444978007 867554440 /nfs/dbraw/zinc/55/44/40/867554440.db2.gz VBYPHJOGRZTFTR-QMMMGPOBSA-N -1 1 382.203 3.762 20 5 GHBDMM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444996332 867593169 /nfs/dbraw/zinc/59/31/69/867593169.db2.gz AZBIMBQNMAZWSM-QMMMGPOBSA-N -1 1 382.203 3.762 20 5 GHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1 ZINC000445133537 867847273 /nfs/dbraw/zinc/84/72/73/867847273.db2.gz JHBPKOYHBYTAOR-CQSZACIVSA-N -1 1 393.399 3.765 20 5 GHBDMM O=[N+]([O-])c1ccc2c(c1)N(Cn1c(Cc3cccs3)n[n-]c1=S)CCC2 ZINC000151513694 868121159 /nfs/dbraw/zinc/12/11/59/868121159.db2.gz UWVDDWWYADIAHI-UHFFFAOYSA-N -1 1 387.490 3.911 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000609076407 868798948 /nfs/dbraw/zinc/79/89/48/868798948.db2.gz VWJISKJAMSVMAU-GFCCVEGCSA-N -1 1 382.869 3.893 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(C)C ZINC000463791537 869343458 /nfs/dbraw/zinc/34/34/58/869343458.db2.gz VBEXKUVZHMBUIH-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1C ZINC001192319073 870284434 /nfs/dbraw/zinc/28/44/34/870284434.db2.gz VYJUWRQLSQNXFJ-UHFFFAOYSA-N -1 1 386.832 3.525 20 5 GHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000181332736 870827530 /nfs/dbraw/zinc/82/75/30/870827530.db2.gz ADPWWFMTWLUPFI-UHFFFAOYSA-N -1 1 378.303 3.695 20 5 GHBDMM CCCc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000525689081 871246737 /nfs/dbraw/zinc/24/67/37/871246737.db2.gz LBROOOBSNMVFCJ-KRWDZBQOSA-N -1 1 377.466 3.618 20 5 GHBDMM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000767655563 872738396 /nfs/dbraw/zinc/73/83/96/872738396.db2.gz DXUAMEQDPSKQCA-LBPRGKRZSA-N -1 1 394.396 3.937 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000541071789 872848675 /nfs/dbraw/zinc/84/86/75/872848675.db2.gz GETWPHQJCHIRQP-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000448114753 872872250 /nfs/dbraw/zinc/87/22/50/872872250.db2.gz XFLBDZBSRZXNBU-JYRVWZFOSA-N -1 1 391.383 3.533 20 5 GHBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000130541211 882987996 /nfs/dbraw/zinc/98/79/96/882987996.db2.gz UMUFTTKTIUTGLC-UHFFFAOYSA-N -1 1 397.840 3.706 20 5 GHBDMM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000785662792 876187989 /nfs/dbraw/zinc/18/79/89/876187989.db2.gz MSXAURHCBHCFOM-UHFFFAOYSA-N -1 1 389.280 3.725 20 5 GHBDMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cnc2n1 ZINC000452869300 880133430 /nfs/dbraw/zinc/13/34/30/880133430.db2.gz IGVJFBMTVHNHHR-OAHLLOKOSA-N -1 1 392.415 3.572 20 5 GHBDMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)c[n-]c2n1 ZINC000452869300 880133437 /nfs/dbraw/zinc/13/34/37/880133437.db2.gz IGVJFBMTVHNHHR-OAHLLOKOSA-N -1 1 392.415 3.572 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(Cl)cc1Cl ZINC000791420870 880376609 /nfs/dbraw/zinc/37/66/09/880376609.db2.gz UNOOYSOYSFMEBR-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)[nH]n1 ZINC000760365074 884019011 /nfs/dbraw/zinc/01/90/11/884019011.db2.gz GSMVLWLBYMCDMJ-UHFFFAOYSA-N -1 1 390.396 3.542 20 5 GHBDMM CCOc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1[O-] ZINC000762621790 886554315 /nfs/dbraw/zinc/55/43/15/886554315.db2.gz MGAUAFFENQWLER-UHFFFAOYSA-N -1 1 385.203 3.936 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000863427366 887099041 /nfs/dbraw/zinc/09/90/41/887099041.db2.gz VLUVJRZZQJNWGW-UHFFFAOYSA-N -1 1 394.424 3.737 20 5 GHBDMM CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000809723252 887748969 /nfs/dbraw/zinc/74/89/69/887748969.db2.gz DGTXFZPCHFKDBZ-HNNXBMFYSA-N -1 1 379.457 3.570 20 5 GHBDMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810741 887819523 /nfs/dbraw/zinc/81/95/23/887819523.db2.gz LFUAQGVNIOTWSQ-MRVPVSSYSA-N -1 1 395.289 3.873 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)cc1Cl ZINC000809814758 887824722 /nfs/dbraw/zinc/82/47/22/887824722.db2.gz AEVFFAHYHYHVKL-UHFFFAOYSA-N -1 1 384.816 3.612 20 5 GHBDMM O=C(Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1)c1ccsc1 ZINC000772847742 888624613 /nfs/dbraw/zinc/62/46/13/888624613.db2.gz ZRYLRMYSPDCPCG-UHFFFAOYSA-N -1 1 384.369 3.833 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1F ZINC001211993186 890725486 /nfs/dbraw/zinc/72/54/86/890725486.db2.gz OEDNBLFZTIAJHR-UHFFFAOYSA-N -1 1 390.795 3.740 20 5 GHBDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)c1 ZINC000497604182 891993264 /nfs/dbraw/zinc/99/32/64/891993264.db2.gz MIRYOFDFQQIDSL-UHFFFAOYSA-N -1 1 386.257 3.929 20 5 GHBDMM COc1cccc(C(=O)[N-]c2c(F)cc(Br)cc2F)c1[N+](=O)[O-] ZINC000194505154 892733130 /nfs/dbraw/zinc/73/31/30/892733130.db2.gz FQPDWCWGCFFXCO-UHFFFAOYSA-N -1 1 387.136 3.896 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1F ZINC000537196827 894524136 /nfs/dbraw/zinc/52/41/36/894524136.db2.gz SHLQVDLNFOKXBO-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000565471884 895658611 /nfs/dbraw/zinc/65/86/11/895658611.db2.gz SGQYBHDXYOIODY-UHFFFAOYSA-N -1 1 392.477 3.882 20 5 GHBDMM COC(=O)c1csc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000570750751 899557545 /nfs/dbraw/zinc/55/75/45/899557545.db2.gz LUQPVSGWEXENIZ-UHFFFAOYSA-N -1 1 391.224 3.519 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000778790710 899883995 /nfs/dbraw/zinc/88/39/95/899883995.db2.gz NPRWMKHCKRZMSB-CQSZACIVSA-N -1 1 398.419 3.505 20 5 GHBDMM O=C([O-])/C=C\c1ccc(OCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000846236182 902809507 /nfs/dbraw/zinc/80/95/07/902809507.db2.gz HONFFKUIVPGFMX-GHXNOFRVSA-N -1 1 382.416 3.736 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1[N+](=O)[O-] ZINC000191782924 907238913 /nfs/dbraw/zinc/23/89/13/907238913.db2.gz ABMRDTCUKSIPHU-UHFFFAOYSA-N -1 1 396.375 3.826 20 5 GHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000092786115 911801678 /nfs/dbraw/zinc/80/16/78/911801678.db2.gz PQDCKCQTFOLQBC-CQSZACIVSA-N -1 1 398.394 3.869 20 5 GHBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)s1 ZINC000775209774 916299326 /nfs/dbraw/zinc/29/93/26/916299326.db2.gz YPDITZKZHBURJL-UHFFFAOYSA-N -1 1 391.268 3.782 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001190026566 917062934 /nfs/dbraw/zinc/06/29/34/917062934.db2.gz ZGDNADMUJIFIEF-GJZGRUSLSA-N -1 1 378.425 3.739 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000119733176 919650660 /nfs/dbraw/zinc/65/06/60/919650660.db2.gz FBUJONBHFFIPOV-SNVBAGLBSA-N -1 1 395.487 3.819 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410417059 925619719 /nfs/dbraw/zinc/61/97/19/925619719.db2.gz IVCTWILTYDAZLD-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725822927 926459511 /nfs/dbraw/zinc/45/95/11/926459511.db2.gz CJKKMQINHNDJJD-UHFFFAOYSA-N -1 1 384.841 3.514 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000751546548 928241638 /nfs/dbraw/zinc/24/16/38/928241638.db2.gz OVSPBIAYGJLOOZ-UHFFFAOYSA-N -1 1 386.385 3.555 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000759075634 930265594 /nfs/dbraw/zinc/26/55/94/930265594.db2.gz LBFFDMRNBSSNCV-UHFFFAOYSA-N -1 1 394.302 3.742 20 5 GHBDMM C[C@H]1CSC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000557735238 931640055 /nfs/dbraw/zinc/64/00/55/931640055.db2.gz WDLIJURBXIJTAH-LRDDRELGSA-N -1 1 393.490 3.559 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000777591477 932119997 /nfs/dbraw/zinc/11/99/97/932119997.db2.gz QBSQJCPEISVACH-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)[nH]n1 ZINC000777936408 934227683 /nfs/dbraw/zinc/22/76/83/934227683.db2.gz ODCZHFYLWKOMKN-UHFFFAOYSA-N -1 1 390.396 3.542 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)[n-]1 ZINC000545056618 1015438500 /nfs/dbraw/zinc/43/85/00/1015438500.db2.gz FVAPFTNOZRPGHV-UHFFFAOYSA-N -1 1 377.360 3.538 20 5 GHBDMM C[C@@](NCc1ccc(F)cc1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593299077 994719639 /nfs/dbraw/zinc/71/96/39/994719639.db2.gz QEPXKERTMBMCOI-INIZCTEOSA-N -1 1 386.301 3.842 20 5 GHBDMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccnc2c1ccc1cccnc12 ZINC001155815656 1032720988 /nfs/dbraw/zinc/72/09/88/1032720988.db2.gz IVPWOXLZZNLMNF-UHFFFAOYSA-N -1 1 381.395 3.927 20 5 GHBDMM CCOc1cc([N-]C(=O)c2coc(C3CCC3)n2)c([N+](=O)[O-])cc1OCC ZINC000193910256 1020954801 /nfs/dbraw/zinc/95/48/01/1020954801.db2.gz MAQCRTDYYQSFFL-UHFFFAOYSA-N -1 1 375.381 3.900 20 5 GHBDMM CC(C)Oc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1[N+](=O)[O-] ZINC001141540374 1025436148 /nfs/dbraw/zinc/43/61/48/1025436148.db2.gz LBCRBVTUCJBQPZ-UHFFFAOYSA-N -1 1 382.376 3.730 20 5 GHBDMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC001210149588 1027359613 /nfs/dbraw/zinc/35/96/13/1027359613.db2.gz FNOQWWOKWCUJBU-SECBINFHSA-N -1 1 390.820 3.588 20 5 GHBDMM CCOC(=O)c1cnn(-c2ccc(F)cc2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392720 1027484914 /nfs/dbraw/zinc/48/49/14/1027484914.db2.gz IHUYPCYFJMKPBP-UHFFFAOYSA-N -1 1 386.339 3.546 20 5 GHBDMM CCc1c(C)nc2sc(C(N)=O)c(Nc3ccc([O-])c([N+](=O)[O-])c3)c2c1C ZINC001210394135 1027486297 /nfs/dbraw/zinc/48/62/97/1027486297.db2.gz PBEHPIDQFMJANG-UHFFFAOYSA-N -1 1 386.433 3.932 20 5 GHBDMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211291439 1027894227 /nfs/dbraw/zinc/89/42/27/1027894227.db2.gz ZNRUYWRLRVZMRH-UHFFFAOYSA-N -1 1 376.325 3.597 20 5 GHBDMM O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cc(F)ccc1[O-] ZINC001142285175 1028580091 /nfs/dbraw/zinc/58/00/91/1028580091.db2.gz TZSRLWKYRGJREJ-CYBMUJFWSA-N -1 1 376.237 3.612 20 5 GHBDMM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225665333 1031530532 /nfs/dbraw/zinc/53/05/32/1031530532.db2.gz XUNOFTQDXRXPIV-HNNXBMFYSA-N -1 1 387.392 3.566 20 5 GHBDMM CC(C)(C)OC(=O)N1CCCC2(CC(Oc3cc([N+](=O)[O-])ccc3[O-])C2)C1 ZINC001229395702 1033456708 /nfs/dbraw/zinc/45/67/08/1033456708.db2.gz JUKFXCFIKHHLTG-UHFFFAOYSA-N -1 1 378.425 3.859 20 5 GHBDMM CC(C)(C)OC(=O)N1CC2(C1)CCC(Oc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC001229396746 1033456964 /nfs/dbraw/zinc/45/69/64/1033456964.db2.gz YPAKUVPGKMSLOL-UHFFFAOYSA-N -1 1 378.425 3.859 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2F)cc1[N+](=O)[O-] ZINC001229751532 1033685718 /nfs/dbraw/zinc/68/57/18/1033685718.db2.gz VSPMCZYMOWLSDT-DOMZBBRYSA-N -1 1 384.404 3.725 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229804829 1033730371 /nfs/dbraw/zinc/73/03/71/1033730371.db2.gz FLLMMDQVADALPC-JSGCOSHPSA-N -1 1 398.411 3.858 20 5 GHBDMM CCCC(=O)[C@@H](CCC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125159 1039866741 /nfs/dbraw/zinc/86/67/41/1039866741.db2.gz NUZWGRKOQKUOIV-OAHLLOKOSA-N -1 1 386.400 3.980 20 5 GHBDMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001234607074 1040165418 /nfs/dbraw/zinc/16/54/18/1040165418.db2.gz WXBFUJVKBJRRAV-QGZVFWFLSA-N -1 1 398.346 3.790 20 5 GHBDMM COc1ccc([C@@H](C)Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)cn1 ZINC001234740909 1040265279 /nfs/dbraw/zinc/26/52/79/1040265279.db2.gz CKAQVVJOJVVUAK-LLVKDONJSA-N -1 1 379.368 3.901 20 5 GHBDMM COc1ccccc1OC[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878399 1040393543 /nfs/dbraw/zinc/39/35/43/1040393543.db2.gz USHHZGIRMAVTQI-SNVBAGLBSA-N -1 1 398.209 3.918 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC001462931988 1070670430 /nfs/dbraw/zinc/67/04/30/1070670430.db2.gz LLKWDBSAHJZZTL-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)cc1F ZINC001260662121 1045598095 /nfs/dbraw/zinc/59/80/95/1045598095.db2.gz FNVFLQLNQRXXBN-UHFFFAOYSA-N -1 1 383.404 3.732 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c1Cl ZINC001464036153 1064782154 /nfs/dbraw/zinc/78/21/54/1064782154.db2.gz NTEIUVDXKADCLJ-GFCCVEGCSA-N -1 1 387.244 3.867 20 5 GHBDMM Cc1cc(C(F)(F)C(=O)[N-]Cc2cc([N+](=O)[O-])c(F)cc2F)cnc1Cl ZINC001469454861 1068169896 /nfs/dbraw/zinc/16/98/96/1068169896.db2.gz NDQQREZWANGMSG-UHFFFAOYSA-N -1 1 391.708 3.638 20 5 GHBDMM Cc1cnc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c([N+](=O)[O-])c1 ZINC001472856586 1073696257 /nfs/dbraw/zinc/69/62/57/1073696257.db2.gz CTHWDWVYVFRTNO-GFCCVEGCSA-N -1 1 394.353 3.602 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccc3ncsc3c2)cc1F ZINC001475214808 1074789492 /nfs/dbraw/zinc/78/94/92/1074789492.db2.gz IIVSDZNCWANLFF-SNVBAGLBSA-N -1 1 395.437 3.692 20 5 GHBDMM O=C([O-])CCN(Cc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000739723588 599777934 /nfs/dbraw/zinc/77/79/34/599777934.db2.gz OGBMGKDRSDWXMX-UHFFFAOYSA-N -1 1 387.417 3.806 20 5 GHBDMM CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(C)(C)C(=O)[O-] ZINC000833694471 604627807 /nfs/dbraw/zinc/62/78/07/604627807.db2.gz SRAZILRORQDJDY-UHFFFAOYSA-N -1 1 397.225 3.912 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(Oc2ccccc2)c1 ZINC000823625547 606698739 /nfs/dbraw/zinc/69/87/39/606698739.db2.gz YFGPUQUQXVCLMT-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(Oc2ccccc2)c1 ZINC000823625547 606698740 /nfs/dbraw/zinc/69/87/40/606698740.db2.gz YFGPUQUQXVCLMT-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000581886377 837741749 /nfs/dbraw/zinc/74/17/49/837741749.db2.gz AVJLHFHHQYPSFS-INIZCTEOSA-N -1 1 390.827 3.590 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000179533638 835868507 /nfs/dbraw/zinc/86/85/07/835868507.db2.gz IFSFWGUQBNTZPV-UHFFFAOYSA-N -1 1 382.348 3.518 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000179643798 835916053 /nfs/dbraw/zinc/91/60/53/835916053.db2.gz ZSEPWIBUYXPDSB-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCCC2)s1 ZINC000066000646 836478598 /nfs/dbraw/zinc/47/85/98/836478598.db2.gz BVKOVNAIWNIKNC-UHFFFAOYSA-N -1 1 384.454 3.586 20 5 GHBDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000430351134 836766106 /nfs/dbraw/zinc/76/61/06/836766106.db2.gz IUDSXLZHKWRQKS-UHFFFAOYSA-N -1 1 375.381 3.700 20 5 GHBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000472504880 837240499 /nfs/dbraw/zinc/24/04/99/837240499.db2.gz RGZHBLYUCOMXKL-UHFFFAOYSA-N -1 1 381.392 3.521 20 5 GHBDMM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])c2C)o1 ZINC000189314594 838253285 /nfs/dbraw/zinc/25/32/85/838253285.db2.gz GFPWMYAPAJPXDO-UHFFFAOYSA-N -1 1 390.421 3.612 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)c1F ZINC001125426288 839006824 /nfs/dbraw/zinc/00/68/24/839006824.db2.gz MYQZVNSOUMTZEH-UHFFFAOYSA-N -1 1 375.747 3.733 20 5 GHBDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416458229 839257658 /nfs/dbraw/zinc/25/76/58/839257658.db2.gz PZGKZGSBHHMHRN-QMMMGPOBSA-N -1 1 394.293 3.623 20 5 GHBDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000053867064 842927178 /nfs/dbraw/zinc/92/71/78/842927178.db2.gz WANGPZWWEQELJJ-UHFFFAOYSA-N -1 1 397.460 3.531 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000016126800 847372397 /nfs/dbraw/zinc/37/23/97/847372397.db2.gz NEOUPFYFHQIOFQ-UHFFFAOYSA-N -1 1 390.417 3.746 20 5 GHBDMM O=C([N-]c1nnc(C(F)F)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050345662 847626850 /nfs/dbraw/zinc/62/68/50/847626850.db2.gz VDQSBSMGFHWNCZ-UHFFFAOYSA-N -1 1 383.361 3.760 20 5 GHBDMM C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CS1 ZINC000413512581 847627062 /nfs/dbraw/zinc/62/70/62/847627062.db2.gz HXVBQXUMALFHLW-JSGCOSHPSA-N -1 1 393.490 3.702 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc4ccccc43)[nH]n2)c1 ZINC000434962807 849932439 /nfs/dbraw/zinc/93/24/39/849932439.db2.gz NYXUGAZDJXKIKJ-UHFFFAOYSA-N -1 1 394.412 3.939 20 5 GHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000518825182 850210632 /nfs/dbraw/zinc/21/06/32/850210632.db2.gz YFDOBHIQGMYZLP-UHFFFAOYSA-N -1 1 398.396 3.761 20 5 GHBDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1Cl ZINC000766041934 862200001 /nfs/dbraw/zinc/20/00/01/862200001.db2.gz AIRPVWNYCIDRGX-UHFFFAOYSA-N -1 1 398.824 3.672 20 5 GHBDMM CCOC(=O)c1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000556023387 862429479 /nfs/dbraw/zinc/42/94/79/862429479.db2.gz WSKDLXJITHRDGD-UHFFFAOYSA-N -1 1 378.768 3.691 20 5 GHBDMM C[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000517091250 853352130 /nfs/dbraw/zinc/35/21/30/853352130.db2.gz TYDVGXKFPLDNNW-CZUORRHYSA-N -1 1 375.450 3.996 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000589373266 854813788 /nfs/dbraw/zinc/81/37/88/854813788.db2.gz UOXONHWHNNESHO-UHFFFAOYSA-N -1 1 397.431 3.990 20 5 GHBDMM Cc1ccc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCC2)cc1 ZINC001212384001 854830703 /nfs/dbraw/zinc/83/07/03/854830703.db2.gz KYMMZXIRBSLHAL-UHFFFAOYSA-N -1 1 380.853 3.914 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000542733099 855583952 /nfs/dbraw/zinc/58/39/52/855583952.db2.gz FQNCTJOALZVWKQ-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM COc1ccc(CSCC(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000542817481 855991684 /nfs/dbraw/zinc/99/16/84/855991684.db2.gz MRSPLVZQHGRUBZ-UHFFFAOYSA-N -1 1 382.825 3.834 20 5 GHBDMM Cc1cnc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000301422495 856339303 /nfs/dbraw/zinc/33/93/03/856339303.db2.gz FLKASGMZXAEQOF-UHFFFAOYSA-N -1 1 398.444 3.711 20 5 GHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542923577 856834556 /nfs/dbraw/zinc/83/45/56/856834556.db2.gz MMHJCCWYMUVLKP-UHFFFAOYSA-N -1 1 390.302 3.544 20 5 GHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486008756 857328750 /nfs/dbraw/zinc/32/87/50/857328750.db2.gz WGNYSKYTQDUNFE-UHFFFAOYSA-N -1 1 392.433 3.614 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)cc1Br ZINC000522639498 857529044 /nfs/dbraw/zinc/52/90/44/857529044.db2.gz OFTXUORMZQIFQH-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CC(=O)[O-])CC2)cc1OC ZINC000568064560 858838840 /nfs/dbraw/zinc/83/88/40/858838840.db2.gz IJCXSJLAXPRPAK-AWEZNQCLSA-N -1 1 394.468 3.715 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)c1 ZINC000543656949 859253759 /nfs/dbraw/zinc/25/37/59/859253759.db2.gz MGIMLMAFVIULAF-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484263786 859915599 /nfs/dbraw/zinc/91/55/99/859915599.db2.gz TXNFZKCOMMBITP-HNNXBMFYSA-N -1 1 389.820 3.930 20 5 GHBDMM O=c1[n-]c(Oc2ccc([N+](=O)[O-])c(Cl)c2)nc2c1cnn2-c1ccccc1 ZINC000301344683 860458239 /nfs/dbraw/zinc/45/82/39/860458239.db2.gz GWLPULWQGSOXRL-UHFFFAOYSA-N -1 1 383.751 3.875 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c(C)c1[N+](=O)[O-] ZINC000598717811 860527244 /nfs/dbraw/zinc/52/72/44/860527244.db2.gz RMYKDIDIENMNLC-HNNXBMFYSA-N -1 1 376.434 3.516 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000126181286 860973414 /nfs/dbraw/zinc/97/34/14/860973414.db2.gz JLNFUDOZQQVZPN-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000593740437 861151324 /nfs/dbraw/zinc/15/13/24/861151324.db2.gz YFUSTABDYXILGR-LJQANCHMSA-N -1 1 384.432 3.517 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3cccc(F)c3F)CC2)c1 ZINC000593741464 861154035 /nfs/dbraw/zinc/15/40/35/861154035.db2.gz BYAMOQPLRDTKRU-UHFFFAOYSA-N -1 1 376.359 3.951 20 5 GHBDMM COCCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000736420571 865203034 /nfs/dbraw/zinc/20/30/34/865203034.db2.gz KWNMMHBEYLVNDW-UHFFFAOYSA-N -1 1 384.841 3.546 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC(F)F ZINC000608852699 865793486 /nfs/dbraw/zinc/79/34/86/865793486.db2.gz ZHNJCAGGMYZNOK-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000742304488 867187863 /nfs/dbraw/zinc/18/78/63/867187863.db2.gz HRSKEYAPMXTUQF-MRXNPFEDSA-N -1 1 380.441 3.769 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000444957637 867559345 /nfs/dbraw/zinc/55/93/45/867559345.db2.gz HLZIVJBTWMHJDV-UHFFFAOYSA-N -1 1 395.337 3.734 20 5 GHBDMM COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445009426 867638003 /nfs/dbraw/zinc/63/80/03/867638003.db2.gz RRSYVAWMUSVQDF-CYBMUJFWSA-N -1 1 393.399 3.862 20 5 GHBDMM Cc1c(-c2nc(-c3ccc([O-])cc3Cl)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000445447787 868463444 /nfs/dbraw/zinc/46/34/44/868463444.db2.gz PYVYICZSCJHDGO-UHFFFAOYSA-N -1 1 398.766 3.560 20 5 GHBDMM Cc1cnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000463056330 870800326 /nfs/dbraw/zinc/80/03/26/870800326.db2.gz MBMOGHFVSONYHR-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)c(Cl)cc1Cl ZINC001195447733 872393697 /nfs/dbraw/zinc/39/36/97/872393697.db2.gz LRTYNLBLLOZKAL-UHFFFAOYSA-N -1 1 394.063 3.516 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000769047411 873760208 /nfs/dbraw/zinc/76/02/08/873760208.db2.gz NVICMTAQWXOXMO-VIFPVBQESA-N -1 1 398.293 3.503 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000769047980 873761476 /nfs/dbraw/zinc/76/14/76/873761476.db2.gz LNQDRWVPZBCODO-MRVPVSSYSA-N -1 1 399.186 3.791 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1[N+](=O)[O-] ZINC000491572163 875815276 /nfs/dbraw/zinc/81/52/76/875815276.db2.gz LOXWPZLZCQUQEN-UHFFFAOYSA-N -1 1 388.445 3.995 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000451014067 877231942 /nfs/dbraw/zinc/23/19/42/877231942.db2.gz KYMZKWGOQRIPPZ-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM COc1cccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc3ccccc32)c1 ZINC000461239566 879454697 /nfs/dbraw/zinc/45/46/97/879454697.db2.gz 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O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812924126 891130780 /nfs/dbraw/zinc/13/07/80/891130780.db2.gz GDMAEBGIYVEOAD-UHFFFAOYSA-N -1 1 392.202 3.794 20 5 GHBDMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918194420 893340192 /nfs/dbraw/zinc/34/01/92/893340192.db2.gz WPHQYFFHOCWNGI-ZDUSSCGKSA-N -1 1 382.413 3.627 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n[nH]c1-c1ccccc1 ZINC000536899954 894030493 /nfs/dbraw/zinc/03/04/93/894030493.db2.gz IGOQTERMAHOPQW-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]n1 ZINC000760318093 895169335 /nfs/dbraw/zinc/16/93/35/895169335.db2.gz QPGLZSWSBAKPAQ-SECBINFHSA-N -1 1 386.861 3.984 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c1 ZINC000567756521 897382469 /nfs/dbraw/zinc/38/24/69/897382469.db2.gz BRQHXPAIZHRTFG-UHFFFAOYSA-N -1 1 398.444 3.997 20 5 GHBDMM 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ZINC000417604034 841047772 /nfs/dbraw/zinc/04/77/72/841047772.db2.gz ZZZDLNIHVIWFJN-AWEZNQCLSA-N -1 1 378.450 3.681 20 5 GHBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000610499735 841224724 /nfs/dbraw/zinc/22/47/24/841224724.db2.gz NRFOIRMAMXLGIN-UHFFFAOYSA-N -1 1 391.449 3.588 20 5 GHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(Nc3ccccc3)nc2)s1 ZINC000302198676 861235490 /nfs/dbraw/zinc/23/54/90/861235490.db2.gz UHDAVPKKCJGVOQ-UHFFFAOYSA-N -1 1 390.446 3.942 20 5 GHBDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000067183110 845520815 /nfs/dbraw/zinc/52/08/15/845520815.db2.gz IFMKXCRCZJFNJH-UHFFFAOYSA-N -1 1 383.433 3.853 20 5 GHBDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000067183131 845520883 /nfs/dbraw/zinc/52/08/83/845520883.db2.gz ROCWVHSVFUVHOI-UHFFFAOYSA-N -1 1 383.433 3.771 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000502403175 847844279 /nfs/dbraw/zinc/84/42/79/847844279.db2.gz 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CC[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301569386 855244508 /nfs/dbraw/zinc/24/45/08/855244508.db2.gz NPHZLKPKLOICLZ-CQSZACIVSA-N -1 1 375.450 3.632 20 5 GHBDMM CC[C@@H](CSC)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000552832073 856904605 /nfs/dbraw/zinc/90/46/05/856904605.db2.gz PCWMEVFGYPETSR-ZDUSSCGKSA-N -1 1 395.506 3.949 20 5 GHBDMM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001212509335 858448373 /nfs/dbraw/zinc/44/83/73/858448373.db2.gz JUCVLMCZRMOHNZ-OAHLLOKOSA-N -1 1 380.441 3.732 20 5 GHBDMM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509384983 859252956 /nfs/dbraw/zinc/25/29/56/859252956.db2.gz NKMBARSDHIBGBK-UHFFFAOYSA-N -1 1 387.392 3.905 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474418258 860018876 /nfs/dbraw/zinc/01/88/76/860018876.db2.gz XWNXHPCAIBYAFI-UHFFFAOYSA-N -1 1 384.845 3.820 20 5 GHBDMM O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484524355 860075855 /nfs/dbraw/zinc/07/58/55/860075855.db2.gz BMZTXFNNCGMFFI-IBGZPJMESA-N -1 1 389.367 3.961 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1C ZINC000063849496 865468647 /nfs/dbraw/zinc/46/86/47/865468647.db2.gz XCFWYOHQLPJJAY-UHFFFAOYSA-N -1 1 378.450 3.937 20 5 GHBDMM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920315924 882041106 /nfs/dbraw/zinc/04/11/06/882041106.db2.gz ROHTUJAIWBOIBU-JTQLQIEISA-N -1 1 389.260 3.811 20 5 GHBDMM C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444981033 867574452 /nfs/dbraw/zinc/57/44/52/867574452.db2.gz DMGYSOOJXMNGDA-YGRLFVJLSA-N -1 1 395.337 3.938 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000445183470 867904084 /nfs/dbraw/zinc/90/40/84/867904084.db2.gz JLKAJJGBXOTWMG-UHFFFAOYSA-N -1 1 375.384 3.778 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000479999086 868882553 /nfs/dbraw/zinc/88/25/53/868882553.db2.gz PFGJQTAYPHNHHC-CQSZACIVSA-N -1 1 382.438 3.710 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000122228632 869124545 /nfs/dbraw/zinc/12/45/45/869124545.db2.gz ZKHQCZPRKAMGRO-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(C)c1C ZINC000462367781 869296473 /nfs/dbraw/zinc/29/64/73/869296473.db2.gz KOHXMZFXJVVOHD-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM C[C@@H]1CC(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC001192336944 870298264 /nfs/dbraw/zinc/29/82/64/870298264.db2.gz JJVOPMZYUYWDJR-UWVGGRQHSA-N -1 1 378.853 3.738 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]nc1-c1ccccc1 ZINC000540210892 870775353 /nfs/dbraw/zinc/77/53/53/870775353.db2.gz HOEQZKHHSRUIBH-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000102982614 870885704 /nfs/dbraw/zinc/88/57/04/870885704.db2.gz MZKKPIKNAQWMFI-UHFFFAOYSA-N -1 1 388.330 3.710 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000463435198 871739995 /nfs/dbraw/zinc/73/99/95/871739995.db2.gz HXHAWGQJDAKFKX-UHFFFAOYSA-N -1 1 376.434 3.726 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000443458310 872882855 /nfs/dbraw/zinc/88/28/55/872882855.db2.gz ZSWXUPPUAPTEEE-HNNXBMFYSA-N -1 1 399.350 3.658 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1OC(C)C ZINC000491574448 875816602 /nfs/dbraw/zinc/81/66/02/875816602.db2.gz WJVCZFSYFSJMAP-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000491609909 875866508 /nfs/dbraw/zinc/86/65/08/875866508.db2.gz LVAFLHDZUHEXLK-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000790382085 879651292 /nfs/dbraw/zinc/65/12/92/879651292.db2.gz LKZRZIUAVOWNEB-UHFFFAOYSA-N -1 1 379.394 3.537 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000520280493 880618059 /nfs/dbraw/zinc/61/80/59/880618059.db2.gz BPYQQTYLQLJZPR-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000791882309 880754710 /nfs/dbraw/zinc/75/47/10/880754710.db2.gz JTPIJGWEGFPMBN-UHFFFAOYSA-N -1 1 376.344 3.952 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC001129869679 883291031 /nfs/dbraw/zinc/29/10/31/883291031.db2.gz CXJLEUGELBCEMW-UHFFFAOYSA-N -1 1 390.371 3.876 20 5 GHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000191175408 884528179 /nfs/dbraw/zinc/52/81/79/884528179.db2.gz MCHMMILLGFUCER-UHFFFAOYSA-N -1 1 382.825 3.868 20 5 GHBDMM C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000914787536 884792088 /nfs/dbraw/zinc/79/20/88/884792088.db2.gz SVHFOEGRXSGEAV-DXTPNHAXSA-N -1 1 387.461 3.613 20 5 GHBDMM C[C@@H](C(=O)[N-]OCc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000762316976 886006453 /nfs/dbraw/zinc/00/64/53/886006453.db2.gz GNUITVGRCWGNRK-SNVBAGLBSA-N -1 1 397.200 3.848 20 5 GHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000032585541 887416449 /nfs/dbraw/zinc/41/64/49/887416449.db2.gz IAGRUCQSVMAUKG-UHFFFAOYSA-N -1 1 378.740 3.650 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c(Cl)cc1Cl ZINC000809830828 887850540 /nfs/dbraw/zinc/85/05/40/887850540.db2.gz GCEZOXGSVPWOJL-SNVBAGLBSA-N -1 1 397.280 3.529 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000811723121 889922825 /nfs/dbraw/zinc/92/28/25/889922825.db2.gz AAKNOYOQCWEWCO-UHFFFAOYSA-N -1 1 398.824 3.618 20 5 GHBDMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811832301 890017783 /nfs/dbraw/zinc/01/77/83/890017783.db2.gz PMTGVCKPAKYOPZ-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM CCOC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCC1 ZINC000815066671 893408863 /nfs/dbraw/zinc/40/88/63/893408863.db2.gz BFBIQJMPYNRITE-UHFFFAOYSA-N -1 1 397.280 3.529 20 5 GHBDMM Cc1cc(N2CCN([C@@H](C)c3ccsc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566290204 896219783 /nfs/dbraw/zinc/21/97/83/896219783.db2.gz CPUFJDSVFQIEDV-ZDUSSCGKSA-N -1 1 375.450 3.546 20 5 GHBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1 ZINC000566678746 896484154 /nfs/dbraw/zinc/48/41/54/896484154.db2.gz JQAOKPUPROIJBV-UHFFFAOYSA-N -1 1 391.449 3.615 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1Cl ZINC000821123982 897723695 /nfs/dbraw/zinc/72/36/95/897723695.db2.gz KVTJGQWQGHBAOE-UHFFFAOYSA-N -1 1 388.188 3.844 20 5 GHBDMM O=C([O-])c1sc2ccccc2c1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000574883220 901043219 /nfs/dbraw/zinc/04/32/19/901043219.db2.gz BZXDYRKKWDJQCS-UHFFFAOYSA-N -1 1 397.456 3.830 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC001144629714 902534566 /nfs/dbraw/zinc/53/45/66/902534566.db2.gz AZERDQRQAQCERM-IBGZPJMESA-N -1 1 392.415 3.651 20 5 GHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000185980308 907861607 /nfs/dbraw/zinc/86/16/07/907861607.db2.gz NHHATRNXDRNPCO-UHFFFAOYSA-N -1 1 383.330 3.963 20 5 GHBDMM O=C([N-][C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001187090217 915027542 /nfs/dbraw/zinc/02/75/42/915027542.db2.gz HZKPRCOESGKKOG-IAGOWNOFSA-N -1 1 393.365 3.636 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@H]2C)cc1F ZINC001187676183 915433394 /nfs/dbraw/zinc/43/33/94/915433394.db2.gz XTQDRDZVBBMFNF-MLCYQJTMSA-N -1 1 396.415 3.783 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cs1 ZINC000120035261 919681997 /nfs/dbraw/zinc/68/19/97/919681997.db2.gz HQEZEWXPYGFVNV-UHFFFAOYSA-N -1 1 378.435 3.601 20 5 GHBDMM CCc1cc2c(COC(=O)Cc3cccc([N+](=O)[O-])c3C)cc(=O)oc2cc1[O-] ZINC000748479219 923665798 /nfs/dbraw/zinc/66/57/98/923665798.db2.gz XCZABYIOTMULMY-UHFFFAOYSA-N -1 1 397.383 3.564 20 5 GHBDMM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2c1C ZINC000725826611 926460537 /nfs/dbraw/zinc/46/05/37/926460537.db2.gz GMEHSARDQLDFMK-UHFFFAOYSA-N -1 1 393.852 3.825 20 5 GHBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1[N+](=O)[O-] ZINC000778014710 934647344 /nfs/dbraw/zinc/64/73/44/934647344.db2.gz LWGJWXBDVKGRKS-VIFPVBQESA-N -1 1 390.248 3.645 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1ccccc1Br ZINC000562369044 934839037 /nfs/dbraw/zinc/83/90/37/934839037.db2.gz MWFHYKQVXLEKSO-OAHLLOKOSA-N -1 1 379.210 3.581 20 5 GHBDMM C[C@@](CC(=O)[O-])(NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncc1 ZINC001592328847 977749106 /nfs/dbraw/zinc/74/91/06/977749106.db2.gz NSZDBKVMMZMOPH-FQEVSTJZSA-N -1 1 381.388 3.730 20 5 GHBDMM COc1ccc(C(=O)[O-])c2c1CN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000901550986 980375008 /nfs/dbraw/zinc/37/50/08/980375008.db2.gz DLOUFBMWXMQKPT-UVTDQMKNSA-N -1 1 382.416 3.763 20 5 GHBDMM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC001597035375 986470697 /nfs/dbraw/zinc/47/06/97/986470697.db2.gz IVBYVHQIIREUPR-MRXNPFEDSA-N -1 1 382.775 3.702 20 5 GHBDMM CC(C)[C@H]1c2ccccc2CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001591105418 991733659 /nfs/dbraw/zinc/73/36/59/991733659.db2.gz SLRMPDJCPTZVQY-NRFANRHFSA-N -1 1 384.432 3.814 20 5 GHBDMM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001599655475 994571913 /nfs/dbraw/zinc/57/19/13/994571913.db2.gz KWCBFNOBIVMEEH-GOSISDBHSA-N -1 1 378.812 3.737 20 5 GHBDMM C[C@](NCc1cc(F)cc(C(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593293644 994685560 /nfs/dbraw/zinc/68/55/60/994685560.db2.gz WKJWOCXPOSXQFC-MRXNPFEDSA-N -1 1 386.301 3.842 20 5 GHBDMM COc1ccc([C@@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])cc1Cl ZINC001599532828 997688735 /nfs/dbraw/zinc/68/87/35/997688735.db2.gz UFIWSGIZWGRFIQ-OAHLLOKOSA-N -1 1 385.203 3.826 20 5 GHBDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227310646 1032368834 /nfs/dbraw/zinc/36/88/34/1032368834.db2.gz WPLKOQIEQFXLFS-ZMZPIMSZSA-N -1 1 375.380 3.860 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227310575 1032367751 /nfs/dbraw/zinc/36/77/51/1032367751.db2.gz VQGHBWCPCNEXFE-OLZOCXBDSA-N -1 1 398.411 3.858 20 5 GHBDMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000778058932 1018102956 /nfs/dbraw/zinc/10/29/56/1018102956.db2.gz QBLRDTDBTPSFFN-ZFWWWQNUSA-N -1 1 390.889 3.510 20 5 GHBDMM COC(=O)c1ccc([C@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cc1 ZINC001228861836 1033145396 /nfs/dbraw/zinc/14/53/96/1033145396.db2.gz HVKYVWVSPPRPRZ-QMMMGPOBSA-N -1 1 386.282 3.641 20 5 GHBDMM COc1cccc(OC[C@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])c1 ZINC001228860313 1033142947 /nfs/dbraw/zinc/14/29/47/1033142947.db2.gz SUKROVQDXYEZHF-VIFPVBQESA-N -1 1 388.298 3.569 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OCc1ccc(C)cc1OC(C)C ZINC001226323680 1031916719 /nfs/dbraw/zinc/91/67/19/1031916719.db2.gz FTIDIOIMUQQYDT-UHFFFAOYSA-N -1 1 390.392 3.547 20 5 GHBDMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)c12 ZINC001226491159 1031981429 /nfs/dbraw/zinc/98/14/29/1031981429.db2.gz VRAZNCIMHHJFOM-SNVBAGLBSA-N -1 1 385.328 3.584 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccccc1 ZINC001229258475 1033373239 /nfs/dbraw/zinc/37/32/39/1033373239.db2.gz GGJWMJWXHXGYBS-AWEZNQCLSA-N -1 1 395.415 3.698 20 5 GHBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1[O-] ZINC001157282235 1033508077 /nfs/dbraw/zinc/50/80/77/1033508077.db2.gz WTLKHMKRDIMWRL-UHFFFAOYSA-N -1 1 378.768 3.610 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513751 1033532270 /nfs/dbraw/zinc/53/22/70/1033532270.db2.gz AWNMCVVHLUWRPI-LLVKDONJSA-N -1 1 395.371 3.532 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CC3)cc1[N+](=O)[O-] ZINC001229753443 1033688917 /nfs/dbraw/zinc/68/89/17/1033688917.db2.gz JQONLQZLUPTWLT-MRXNPFEDSA-N -1 1 378.425 3.777 20 5 GHBDMM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001248475207 1035902511 /nfs/dbraw/zinc/90/25/11/1035902511.db2.gz UWOPASCLAHEYNJ-UHFFFAOYSA-N -1 1 397.181 3.602 20 5 GHBDMM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233501178 1039393904 /nfs/dbraw/zinc/39/39/04/1039393904.db2.gz XLOXLRJAHLEXPO-SNVBAGLBSA-N -1 1 396.831 3.903 20 5 GHBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H](c3cccnc3)C3CC3)c12 ZINC001234124483 1039866208 /nfs/dbraw/zinc/86/62/08/1039866208.db2.gz JXZJQRIXYURKHW-OAQYLSRUSA-N -1 1 391.379 3.988 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@@H]3COc4cscc4O3)c12 ZINC001234746217 1040273116 /nfs/dbraw/zinc/27/31/16/1040273116.db2.gz CKMYFYUBNWQYHY-GFCCVEGCSA-N -1 1 398.392 3.638 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)c4cn(C)nc4C)cc3c(=O)c12 ZINC001234799702 1040330170 /nfs/dbraw/zinc/33/01/70/1040330170.db2.gz SACZRGPQIUULME-NSHDSACASA-N -1 1 396.399 3.548 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(OC4CCC(OC)CC4)cc3c(=O)c12 ZINC001234800716 1040331744 /nfs/dbraw/zinc/33/17/44/1040331744.db2.gz LHIZWPTYHFUUSP-UHFFFAOYSA-N -1 1 386.400 3.702 20 5 GHBDMM CC1(C)CC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])CC(C)(C)N1O ZINC001234878517 1040392696 /nfs/dbraw/zinc/39/26/96/1040392696.db2.gz VRGSJWNTAKSOLC-UHFFFAOYSA-N -1 1 389.246 3.853 20 5 GHBDMM COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]n2)cc1 ZINC001295614113 1045072391 /nfs/dbraw/zinc/07/23/91/1045072391.db2.gz GDNAAUKVIKETND-UHFFFAOYSA-N -1 1 388.767 3.605 20 5 GHBDMM O=C(N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302713541 1047057683 /nfs/dbraw/zinc/05/76/83/1047057683.db2.gz FKCUCTMGFUXPDJ-KRWDZBQOSA-N -1 1 395.419 3.623 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc(Cl)nc1C(F)(F)F ZINC001264211927 1047266829 /nfs/dbraw/zinc/26/68/29/1047266829.db2.gz JUTXFGOXNNWWHN-UHFFFAOYSA-N -1 1 381.719 3.984 20 5 GHBDMM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001330398187 1051007127 /nfs/dbraw/zinc/00/71/27/1051007127.db2.gz OAFLVKWTJWTNIT-UHFFFAOYSA-N -1 1 395.322 3.779 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H]3C[C@@H]32)c(Cl)cc1Cl ZINC001309863183 1051010738 /nfs/dbraw/zinc/01/07/38/1051010738.db2.gz YSQGXPBMXFEWMK-IVZWLZJFSA-N -1 1 379.265 3.616 20 5 GHBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC001309864983 1051010922 /nfs/dbraw/zinc/01/09/22/1051010922.db2.gz LVGOGONZJRHGBB-UHFFFAOYSA-N -1 1 378.903 3.592 20 5 GHBDMM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1[O-] ZINC001451757520 1060831988 /nfs/dbraw/zinc/83/19/88/1060831988.db2.gz RDOXNNGTGJWUGP-UHFFFAOYSA-N -1 1 387.136 3.522 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c(Cl)cc1Cl ZINC001463635273 1064515808 /nfs/dbraw/zinc/51/58/08/1064515808.db2.gz RUGMXSIJDIEHCL-GWCFXTLKSA-N -1 1 387.244 3.736 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC3(CC3)C2)c1Cl ZINC001464651310 1065138786 /nfs/dbraw/zinc/13/87/86/1065138786.db2.gz JVYKCIOVKBTYQV-VIFPVBQESA-N -1 1 379.265 3.903 20 5 GHBDMM Cc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001464730708 1065179837 /nfs/dbraw/zinc/17/98/37/1065179837.db2.gz LIUDEJJTLJKTIN-UHFFFAOYSA-N -1 1 393.223 3.828 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001475387458 1074857069 /nfs/dbraw/zinc/85/70/69/1074857069.db2.gz QMSWEWQUUGVGLB-DZGCQCFKSA-N -1 1 395.868 3.648 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC001475786103 1075021607 /nfs/dbraw/zinc/02/16/07/1075021607.db2.gz ASSNIFPMSVBLND-OLZOCXBDSA-N -1 1 398.843 3.544 20 5 GHBDMM O=C([O-])N1CCC([C@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)CC1 ZINC000834073060 605983990 /nfs/dbraw/zinc/98/39/90/605983990.db2.gz FCUPRTFDMWZALW-LJQANCHMSA-N -1 1 387.411 3.955 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000823620506 606711338 /nfs/dbraw/zinc/71/13/38/606711338.db2.gz MHVKJLRLLUZEQE-LLVKDONJSA-N -1 1 392.206 3.576 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000823620506 606711340 /nfs/dbraw/zinc/71/13/40/606711340.db2.gz MHVKJLRLLUZEQE-LLVKDONJSA-N -1 1 392.206 3.576 20 5 GHBDMM Cc1cc(N2CCCC[C@H]2C)ccc1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822207054 606719863 /nfs/dbraw/zinc/71/98/63/606719863.db2.gz JLZDGNGDUGNCGQ-CYBMUJFWSA-N -1 1 394.439 3.601 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000219077626 834404106 /nfs/dbraw/zinc/40/41/06/834404106.db2.gz XAGJSPTVPOPDMI-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000061693064 835076654 /nfs/dbraw/zinc/07/66/54/835076654.db2.gz YGBPYWCURSYCKP-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM C[C@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000548956966 836719947 /nfs/dbraw/zinc/71/99/47/836719947.db2.gz IRVBTMZUNSUXOC-GJZGRUSLSA-N -1 1 399.447 3.514 20 5 GHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(OC)cccc2SC)cc1OC ZINC000416119967 838580470 /nfs/dbraw/zinc/58/04/70/838580470.db2.gz GGVLNLBSWCRBHT-UHFFFAOYSA-N -1 1 392.433 3.985 20 5 GHBDMM CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549405231 838665153 /nfs/dbraw/zinc/66/51/53/838665153.db2.gz BQEXIFKKBNIPRM-UHFFFAOYSA-N -1 1 384.411 3.894 20 5 GHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(Oc3ccncc3)c2)s1 ZINC000302199745 861236272 /nfs/dbraw/zinc/23/62/72/861236272.db2.gz URYHYXIDFHISHM-UHFFFAOYSA-N -1 1 391.430 3.991 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)cc2)s1 ZINC000509749959 843888667 /nfs/dbraw/zinc/88/86/67/843888667.db2.gz GIDFHFOAWJYHNZ-UHFFFAOYSA-N -1 1 390.442 3.927 20 5 GHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1Cl ZINC000432964852 844779426 /nfs/dbraw/zinc/77/94/26/844779426.db2.gz JQFXOFOZSVRBPL-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM Cc1cc(Cl)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001167939253 844847896 /nfs/dbraw/zinc/84/78/96/844847896.db2.gz RKCSZDVJTQBKJF-UHFFFAOYSA-N -1 1 382.740 3.641 20 5 GHBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127442509 845038794 /nfs/dbraw/zinc/03/87/94/845038794.db2.gz JHOITZXXFAMXNW-UHFFFAOYSA-N -1 1 386.233 3.736 20 5 GHBDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000536411732 845741502 /nfs/dbraw/zinc/74/15/02/845741502.db2.gz IJVDZVDSSNBMGA-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C([O-])[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000263420114 846212736 /nfs/dbraw/zinc/21/27/36/846212736.db2.gz OQADEPTXRVWRAH-CYBMUJFWSA-N -1 1 376.796 3.947 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(c4nc(C)cc(C(=O)[O-])c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000582184073 846613569 /nfs/dbraw/zinc/61/35/69/846613569.db2.gz KYYIOKIQBKCCEP-ZDUSSCGKSA-N -1 1 395.419 3.565 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000731780323 861885439 /nfs/dbraw/zinc/88/54/39/861885439.db2.gz DTMAJHKKEUTAKY-UHFFFAOYSA-N -1 1 375.450 3.694 20 5 GHBDMM COC(=O)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000486857416 850172263 /nfs/dbraw/zinc/17/22/63/850172263.db2.gz LNZRBVPSFBFNSL-UHFFFAOYSA-N -1 1 379.756 3.693 20 5 GHBDMM COc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436743886 852263698 /nfs/dbraw/zinc/26/36/98/852263698.db2.gz ZCNPACOPXZPBJD-UHFFFAOYSA-N -1 1 382.145 3.754 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccco1)c1ccccc1 ZINC000490173631 852806331 /nfs/dbraw/zinc/80/63/31/852806331.db2.gz XFWBGYLLQVINDD-KRWDZBQOSA-N -1 1 392.820 3.909 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000126438983 854864377 /nfs/dbraw/zinc/86/43/77/854864377.db2.gz NSMAPMDFUYXWDA-RKDXNWHRSA-N -1 1 386.779 3.648 20 5 GHBDMM CSC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301462782 855042248 /nfs/dbraw/zinc/04/22/48/855042248.db2.gz VJVYXRJJTUZGJW-UHFFFAOYSA-N -1 1 395.506 3.949 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000591150970 855798631 /nfs/dbraw/zinc/79/86/31/855798631.db2.gz CESYGRQQJCILPN-UHFFFAOYSA-N -1 1 395.337 3.814 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000010342330 858281221 /nfs/dbraw/zinc/28/12/21/858281221.db2.gz VOKOENDTQNJRAZ-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC000543643519 859178613 /nfs/dbraw/zinc/17/86/13/859178613.db2.gz ZIDYPWOZPLVEAA-UHFFFAOYSA-N -1 1 397.456 3.998 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1Br ZINC000316685569 859243176 /nfs/dbraw/zinc/24/31/76/859243176.db2.gz XWWMSNPZEBIULF-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000611101343 859604985 /nfs/dbraw/zinc/60/49/85/859604985.db2.gz WDHWTZZJBWPCTP-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000484773125 860339299 /nfs/dbraw/zinc/33/92/99/860339299.db2.gz ZXLFWHFWJHWXQO-AWEZNQCLSA-N -1 1 383.326 3.841 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1csc2ccccc21 ZINC000730018032 860841319 /nfs/dbraw/zinc/84/13/19/860841319.db2.gz NTEXDQFKWDJYIF-SNVBAGLBSA-N -1 1 380.422 3.988 20 5 GHBDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC000603780810 861167947 /nfs/dbraw/zinc/16/79/47/861167947.db2.gz MBGLQCWCSIJQNR-UHFFFAOYSA-N -1 1 386.433 3.738 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000734739486 864414745 /nfs/dbraw/zinc/41/47/45/864414745.db2.gz FHITZKHPWSWUHN-UHFFFAOYSA-N -1 1 381.429 3.688 20 5 GHBDMM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920315926 882040441 /nfs/dbraw/zinc/04/04/41/882040441.db2.gz ROHTUJAIWBOIBU-SNVBAGLBSA-N -1 1 389.260 3.811 20 5 GHBDMM O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146235 867830939 /nfs/dbraw/zinc/83/09/39/867830939.db2.gz VOXTURIAFOHXGZ-UONOGXRCSA-N -1 1 395.337 3.780 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000793445914 882187872 /nfs/dbraw/zinc/18/78/72/882187872.db2.gz BWUFPHOOZPFRSH-UHFFFAOYSA-N -1 1 391.380 3.807 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000524531806 869210256 /nfs/dbraw/zinc/21/02/56/869210256.db2.gz KRSUGALCNWAWCD-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccncc1 ZINC000447261213 871274904 /nfs/dbraw/zinc/27/49/04/871274904.db2.gz UIJBLUUEIVBEIB-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491584950 875805993 /nfs/dbraw/zinc/80/59/93/875805993.db2.gz YTDSBFDRABFOAR-UHFFFAOYSA-N -1 1 391.449 3.751 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000609917174 877185714 /nfs/dbraw/zinc/18/57/14/877185714.db2.gz KZIMTZYVWKUPCO-HNNXBMFYSA-N -1 1 380.853 3.548 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000530493039 877900338 /nfs/dbraw/zinc/90/03/38/877900338.db2.gz PTEIJDPCVBTSHV-UHFFFAOYSA-N -1 1 390.339 3.911 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)CCc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000461117064 879200423 /nfs/dbraw/zinc/20/04/23/879200423.db2.gz OZSCGCNFKRYBIW-UHFFFAOYSA-N -1 1 399.266 3.650 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000609488742 883251822 /nfs/dbraw/zinc/25/18/22/883251822.db2.gz ULMPVRBKOSPGDI-UHFFFAOYSA-N -1 1 388.430 3.858 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)s1 ZINC000609740632 883622214 /nfs/dbraw/zinc/62/22/14/883622214.db2.gz UXSJDWLPHQGFHW-CYBMUJFWSA-N -1 1 394.499 3.980 20 5 GHBDMM Nc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-] ZINC000914746755 884674247 /nfs/dbraw/zinc/67/42/47/884674247.db2.gz ZJZSSXZOMYQWDO-UHFFFAOYSA-N -1 1 383.385 3.877 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(F)cc2)c1Cl ZINC000809386069 887359222 /nfs/dbraw/zinc/35/92/22/887359222.db2.gz ZXPCFGDFGBJOMI-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM Cc1cc2cc(C[N-]S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)ccc2[nH]1 ZINC000809845529 887861138 /nfs/dbraw/zinc/86/11/38/887861138.db2.gz OFQNDSZGSZDPNZ-UHFFFAOYSA-N -1 1 397.815 3.656 20 5 GHBDMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809846065 887862095 /nfs/dbraw/zinc/86/20/95/887862095.db2.gz CVGTUEFXYPPIEQ-UHFFFAOYSA-N -1 1 399.296 3.633 20 5 GHBDMM Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000301197040 890851662 /nfs/dbraw/zinc/85/16/62/890851662.db2.gz OJRVGJOPCNCTBM-UHFFFAOYSA-N -1 1 398.444 3.711 20 5 GHBDMM O=C([O-])/C=C/c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000917088232 891067735 /nfs/dbraw/zinc/06/77/35/891067735.db2.gz FXIVCYVVXGDNPI-XBXARRHUSA-N -1 1 399.422 3.908 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCCC1 ZINC000918193659 893339515 /nfs/dbraw/zinc/33/95/15/893339515.db2.gz HRMHRKLUGPFDAL-UHFFFAOYSA-N -1 1 396.415 3.663 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000536701850 893578979 /nfs/dbraw/zinc/57/89/79/893578979.db2.gz VWNQYFFDZZDXJU-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000778447904 895260103 /nfs/dbraw/zinc/26/01/03/895260103.db2.gz FVTQUZUUROIQOJ-UHFFFAOYSA-N -1 1 399.172 3.528 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000778565719 896796266 /nfs/dbraw/zinc/79/62/66/896796266.db2.gz ANMPQTJFWFVNCU-UHFFFAOYSA-N -1 1 375.381 3.838 20 5 GHBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000130511550 897121502 /nfs/dbraw/zinc/12/15/02/897121502.db2.gz SRWSBEAWSJRTDP-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM CCCCCc1nnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)s1 ZINC000822686545 898561229 /nfs/dbraw/zinc/56/12/29/898561229.db2.gz RWDKQQCQKINUOV-UHFFFAOYSA-N -1 1 395.416 3.529 20 5 GHBDMM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000264615524 903248081 /nfs/dbraw/zinc/24/80/81/903248081.db2.gz DYWQBEXQSWUSKW-UHFFFAOYSA-N -1 1 382.419 3.658 20 5 GHBDMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780069862 921520494 /nfs/dbraw/zinc/52/04/94/921520494.db2.gz UFVVENXOYVHSOQ-CYBMUJFWSA-N -1 1 386.404 3.916 20 5 GHBDMM COC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCCCC1 ZINC001189421232 916623726 /nfs/dbraw/zinc/62/37/26/916623726.db2.gz YTINEMREMLZCOO-UHFFFAOYSA-N -1 1 397.280 3.529 20 5 GHBDMM C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000726943936 926949504 /nfs/dbraw/zinc/94/95/04/926949504.db2.gz VOJMZVGODWMMAH-CYBMUJFWSA-N -1 1 378.388 3.666 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc([N+](=O)[O-])c1F ZINC000757926868 929858702 /nfs/dbraw/zinc/85/87/02/929858702.db2.gz WILDPAWZGOPJTD-UHFFFAOYSA-N -1 1 394.302 3.742 20 5 GHBDMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546183217 929935174 /nfs/dbraw/zinc/93/51/74/929935174.db2.gz XWEIJPMWNQOUHQ-SSDOTTSWSA-N -1 1 394.293 3.623 20 5 GHBDMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000547285851 930881866 /nfs/dbraw/zinc/88/18/66/930881866.db2.gz JHNQCKQLZCYCQI-UHFFFAOYSA-N -1 1 384.367 3.746 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000798246734 932575249 /nfs/dbraw/zinc/57/52/49/932575249.db2.gz GJTVFAOZCXLSCB-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1ccccc1Br ZINC000562369043 934839048 /nfs/dbraw/zinc/83/90/48/934839048.db2.gz MWFHYKQVXLEKSO-HNNXBMFYSA-N -1 1 379.210 3.581 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1OC ZINC001589459047 954857443 /nfs/dbraw/zinc/85/74/43/954857443.db2.gz SXQSMKSWKJHYRI-SOUVJXGZSA-N -1 1 394.468 3.713 20 5 GHBDMM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC001597035374 986470945 /nfs/dbraw/zinc/47/09/45/986470945.db2.gz IVBYVHQIIREUPR-INIZCTEOSA-N -1 1 382.775 3.702 20 5 GHBDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227305953 1032364212 /nfs/dbraw/zinc/36/42/12/1032364212.db2.gz CWZRTFWYYXWAIN-MLGOLLRUSA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2cc(OC[C@@H]3COc4ccccc4O3)c([O-])cc2oc2cccc(O)c12 ZINC001227307313 1032365829 /nfs/dbraw/zinc/36/58/29/1032365829.db2.gz VTLVXFYHQMUUSW-LBPRGKRZSA-N -1 1 392.363 3.576 20 5 GHBDMM CCOC(=O)[C@H]1CC[C@H](Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])CC1 ZINC001227308333 1032366252 /nfs/dbraw/zinc/36/62/52/1032366252.db2.gz CUBPQDYPEHHAQP-JOCQHMNTSA-N -1 1 398.411 3.858 20 5 GHBDMM O=[N+]([O-])c1ccccc1N1CCC(Oc2[n-]c(=S)nc3cnccc32)CC1 ZINC001227886257 1032669313 /nfs/dbraw/zinc/66/93/13/1032669313.db2.gz REEVOQNQFUKQJI-UHFFFAOYSA-N -1 1 383.433 3.643 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000755095681 1023070464 /nfs/dbraw/zinc/07/04/64/1023070464.db2.gz BWWITFXQUXNZRC-UHFFFAOYSA-N -1 1 397.305 3.921 20 5 GHBDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc2[nH]1 ZINC000755981593 1023463652 /nfs/dbraw/zinc/46/36/52/1023463652.db2.gz VRQFWWBTHQDACZ-UHFFFAOYSA-N -1 1 392.412 3.754 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ccnn2-c2cccc(Br)c2)ccc1[O-] ZINC001210395703 1027488779 /nfs/dbraw/zinc/48/87/79/1027488779.db2.gz BZAPTVVRGZAZRG-UHFFFAOYSA-N -1 1 375.182 3.992 20 5 GHBDMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001210524821 1027543580 /nfs/dbraw/zinc/54/35/80/1027543580.db2.gz GRGWUPPYZMSIEZ-NEPJUHHUSA-N -1 1 378.903 3.591 20 5 GHBDMM CC[C@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001210942733 1027714158 /nfs/dbraw/zinc/71/41/58/1027714158.db2.gz KNARHACWZUHXOI-LBPRGKRZSA-N -1 1 384.479 3.621 20 5 GHBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1ncc(I)nc1Cl ZINC001210951724 1027716899 /nfs/dbraw/zinc/71/68/99/1027716899.db2.gz OARMRGIBKOQMPI-UHFFFAOYSA-N -1 1 394.531 3.526 20 5 GHBDMM CC(C)[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001211458918 1027970289 /nfs/dbraw/zinc/97/02/89/1027970289.db2.gz HMQJMYKAHINFNJ-RHSMWYFYSA-N -1 1 380.491 3.894 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001213945551 1028464881 /nfs/dbraw/zinc/46/48/81/1028464881.db2.gz XPDIKFLDZKOTNL-HUUCEWRRSA-N -1 1 394.880 3.795 20 5 GHBDMM O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(F)cc(F)c1[O-] ZINC001142541533 1029038848 /nfs/dbraw/zinc/03/88/48/1029038848.db2.gz AGXNEPZYCKCTCS-UHFFFAOYSA-N -1 1 380.350 3.777 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001229749646 1033684763 /nfs/dbraw/zinc/68/47/63/1033684763.db2.gz GFEOXMAKDHHABL-HZSPNIEDSA-N -1 1 378.425 3.776 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC001229751899 1033687576 /nfs/dbraw/zinc/68/75/76/1033687576.db2.gz YXKIVPMDDAJVIH-NSHDSACASA-N -1 1 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COc1cc([O-])cc2oc3cc(O)c(OCCOC4CCCC4)cc3c(=O)c12 ZINC001234801083 1040332053 /nfs/dbraw/zinc/33/20/53/1040332053.db2.gz NOTBOTJZXWKHNK-UHFFFAOYSA-N -1 1 386.400 3.704 20 5 GHBDMM O=S(=O)([N-]c1ccc2nc3ccccc3cc2c1)c1ccc2c(c1)OCO2 ZINC001259850137 1045318160 /nfs/dbraw/zinc/31/81/60/1045318160.db2.gz NUEWRAACRWKSSD-UHFFFAOYSA-N -1 1 378.409 3.918 20 5 GHBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001296879231 1045391770 /nfs/dbraw/zinc/39/17/70/1045391770.db2.gz ZDDHCPZXJJEABD-UHFFFAOYSA-N -1 1 394.383 3.688 20 5 GHBDMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001462993726 1070715653 /nfs/dbraw/zinc/71/56/53/1070715653.db2.gz ULJINBMGAAFTKW-UHFFFAOYSA-N -1 1 398.843 3.706 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cccs1 ZINC001309181336 1050439078 /nfs/dbraw/zinc/43/90/78/1050439078.db2.gz HPZWLTKIETUJOQ-UHFFFAOYSA-N -1 1 392.861 3.705 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CC2CCC1CC2 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ATLYOIVKVUMRGJ-AWEZNQCLSA-N -1 1 379.210 3.944 20 5 GHBDMM COc1ccc(C(Oc2[n-]ccc(=O)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC001225665594 1031530615 /nfs/dbraw/zinc/53/06/15/1031530615.db2.gz BZHIWSAUJMBCJU-UHFFFAOYSA-N -1 1 382.372 3.881 20 5 GHBDMM COc1ccc(C(Oc2nccc([O-])c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC001225665594 1031530625 /nfs/dbraw/zinc/53/06/25/1031530625.db2.gz BZHIWSAUJMBCJU-UHFFFAOYSA-N -1 1 382.372 3.881 20 5 GHBDMM Nc1ccc2n(C(=O)c3c([O-])cc4ccccc4c3O)c3ccccc3cc-2c1=O ZINC001154027891 1031884465 /nfs/dbraw/zinc/88/44/65/1031884465.db2.gz GNXSATFJWIRNQI-UHFFFAOYSA-N -1 1 396.402 3.941 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCc2ccc(Cl)cc21 ZINC001226310226 1031911268 /nfs/dbraw/zinc/91/12/68/1031911268.db2.gz OEGKVPQNIGYKIU-CYBMUJFWSA-N -1 1 378.768 3.592 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OCc1ccc(OC(C)C)c(C)c1 ZINC001226322441 1031915591 /nfs/dbraw/zinc/91/55/91/1031915591.db2.gz DDEFCVSMZKRLRB-UHFFFAOYSA-N -1 1 390.392 3.547 20 5 GHBDMM Cc1nc(O[C@H](C)c2c(F)cc(Br)cc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378753 1033447445 /nfs/dbraw/zinc/44/74/45/1033447445.db2.gz MQWXFTGOKJJBPP-RXMQYKEDSA-N -1 1 390.140 3.580 20 5 GHBDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229804243 1033726232 /nfs/dbraw/zinc/72/62/32/1033726232.db2.gz AAIGVVKDPBFQQB-WYRIXSBYSA-N -1 1 375.380 3.860 20 5 GHBDMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001209428432 1035272645 /nfs/dbraw/zinc/27/26/45/1035272645.db2.gz GHAMSTIWVSCRHO-AWEZNQCLSA-N -1 1 384.816 3.662 20 5 GHBDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500373 1039393550 /nfs/dbraw/zinc/39/35/50/1039393550.db2.gz RGXWBRZZWFIDMO-YMTOWFKASA-N -1 1 396.831 3.759 20 5 GHBDMM O=C(Cc1ccc(O[C@H](C[N+](=O)[O-])c2cccnc2)cc1)c1ccc([O-])cc1 ZINC001233941237 1039717718 /nfs/dbraw/zinc/71/77/18/1039717718.db2.gz JGTMCMIUPPAIDS-OAQYLSRUSA-N -1 1 378.384 3.609 20 5 GHBDMM CC1(C)CC(=O)CC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125489 1039868256 /nfs/dbraw/zinc/86/82/56/1039868256.db2.gz SNACJBLAEBOVRI-INIZCTEOSA-N -1 1 384.384 3.590 20 5 GHBDMM COC(=O)c1nc(-c2ccccc2)[n-]c(=O)c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001234555455 1040125626 /nfs/dbraw/zinc/12/56/26/1040125626.db2.gz UTOVQVOHBMFDBS-LBPRGKRZSA-N -1 1 395.371 3.684 20 5 GHBDMM CC(=O)[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c4c(c3c(=O)c12)CCC(C)(C)O4 ZINC001234799074 1040330224 /nfs/dbraw/zinc/33/02/24/1040330224.db2.gz LPFDPSQMTWPJTH-LLVKDONJSA-N -1 1 398.411 3.817 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC[C@H]1CCc2ccccc2O1 ZINC001234880753 1040394914 /nfs/dbraw/zinc/39/49/14/1040394914.db2.gz GSQNFIJYPPJLNW-GFCCVEGCSA-N -1 1 380.194 3.836 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC[C@@H]1CCc2ccccc2O1 ZINC001234880754 1040395030 /nfs/dbraw/zinc/39/50/30/1040395030.db2.gz GSQNFIJYPPJLNW-LBPRGKRZSA-N -1 1 380.194 3.836 20 5 GHBDMM O=C([N-]CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])c2ccccc21)C(F)(F)F ZINC001307189992 1049127330 /nfs/dbraw/zinc/12/73/30/1049127330.db2.gz SDXHEGOVQOWFAE-GFCCVEGCSA-N -1 1 379.338 3.899 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC001309044413 1050297010 /nfs/dbraw/zinc/29/70/10/1050297010.db2.gz IGEXVQFCFYNEQF-GFCCVEGCSA-N -1 1 398.843 3.786 20 5 GHBDMM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309685781 1050919379 /nfs/dbraw/zinc/91/93/79/1050919379.db2.gz ZORWBNZWTKZOPY-CQSZACIVSA-N -1 1 382.869 3.938 20 5 GHBDMM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC001309699187 1050925775 /nfs/dbraw/zinc/92/57/75/1050925775.db2.gz YUWWRWJYKMXECG-OAHLLOKOSA-N -1 1 399.419 3.635 20 5 GHBDMM C[C@@H](C1CC1)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC001322159177 1056544664 /nfs/dbraw/zinc/54/46/64/1056544664.db2.gz QBKURYIYCFJTDO-ZDUSSCGKSA-N -1 1 375.450 3.630 20 5 GHBDMM CCOC(=O)c1nc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c1Cl ZINC001439493475 1058193944 /nfs/dbraw/zinc/19/39/44/1058193944.db2.gz BTTIDAQBJQORKS-UHFFFAOYSA-N -1 1 380.788 3.524 20 5 GHBDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2)o1 ZINC001445519137 1059551242 /nfs/dbraw/zinc/55/12/42/1059551242.db2.gz LGWZDFGAQGYVHP-UHFFFAOYSA-N -1 1 392.367 3.571 20 5 GHBDMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457671835 1063304943 /nfs/dbraw/zinc/30/49/43/1063304943.db2.gz QSOGIVUASHEMDP-UHFFFAOYSA-N -1 1 395.337 3.566 20 5 GHBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(C)c1 ZINC001474882947 1074610345 /nfs/dbraw/zinc/61/03/45/1074610345.db2.gz YYCSZOZEKSMPDN-UHFFFAOYSA-N -1 1 386.832 3.525 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccc1F ZINC001475455993 1074881440 /nfs/dbraw/zinc/88/14/40/1074881440.db2.gz WUNRFDRODBXFLQ-ZDUSSCGKSA-N -1 1 390.795 3.956 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000030529824 206074541 /nfs/dbraw/zinc/07/45/41/206074541.db2.gz SEEBXLWIVGETIL-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000738067929 599791633 /nfs/dbraw/zinc/79/16/33/599791633.db2.gz BDSVZFSVQXEDDW-HNNXBMFYSA-N -1 1 384.310 3.538 20 5 GHBDMM C[C@](NCc1csc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736664594 600080214 /nfs/dbraw/zinc/08/02/14/600080214.db2.gz OSKAETDUVPFTPB-CQSZACIVSA-N -1 1 385.239 3.508 20 5 GHBDMM Cc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)s1 ZINC000066413303 837392311 /nfs/dbraw/zinc/39/23/11/837392311.db2.gz UNDRJSMLNUHACG-UHFFFAOYSA-N -1 1 391.390 3.644 20 5 GHBDMM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549796760 844293842 /nfs/dbraw/zinc/29/38/42/844293842.db2.gz IGYZNBVAJDQCOP-UHFFFAOYSA-N -1 1 398.438 3.905 20 5 GHBDMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000436016082 839316616 /nfs/dbraw/zinc/31/66/16/839316616.db2.gz YQROMIFIJHDZDO-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000581402138 841261404 /nfs/dbraw/zinc/26/14/04/841261404.db2.gz VCSHXRJHPFTMSI-UHFFFAOYSA-N -1 1 384.841 3.812 20 5 GHBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000055595008 861264047 /nfs/dbraw/zinc/26/40/47/861264047.db2.gz BQAWBIBTEAJWBJ-UHFFFAOYSA-N -1 1 391.449 3.669 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001211679818 842458665 /nfs/dbraw/zinc/45/86/65/842458665.db2.gz TXYGYRHOKRUTGK-QWHCGFSZSA-N -1 1 387.244 3.736 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)s1 ZINC000512758264 843127032 /nfs/dbraw/zinc/12/70/32/843127032.db2.gz AXNUPGJJKDKJHU-JTQLQIEISA-N -1 1 390.895 3.825 20 5 GHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000434299795 850967044 /nfs/dbraw/zinc/96/70/44/850967044.db2.gz LHZOMYZKXNEHPK-CQSZACIVSA-N -1 1 393.399 3.765 20 5 GHBDMM CCC[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nn[n-]n1 ZINC000426878878 852501200 /nfs/dbraw/zinc/50/12/00/852501200.db2.gz MKDZFRSSYNBMBX-INIZCTEOSA-N -1 1 398.448 3.530 20 5 GHBDMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507552974 853020134 /nfs/dbraw/zinc/02/01/34/853020134.db2.gz SNIUZNXDJDFPEJ-JTQLQIEISA-N -1 1 384.417 3.618 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]c2ccc(C)cc2Br)cc1[N+](=O)[O-] ZINC000163927744 853620550 /nfs/dbraw/zinc/62/05/50/853620550.db2.gz FPAPGOREUODZHL-UHFFFAOYSA-N -1 1 391.268 3.836 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445456238 855965042 /nfs/dbraw/zinc/96/50/42/855965042.db2.gz NKXCBMYTYZCJKF-UHFFFAOYSA-N -1 1 379.731 3.764 20 5 GHBDMM C[C@@H]1SCC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000591997484 856563538 /nfs/dbraw/zinc/56/35/38/856563538.db2.gz DDHLFSTYSGSXTC-SWLSCSKDSA-N -1 1 393.490 3.702 20 5 GHBDMM COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000499522844 857148690 /nfs/dbraw/zinc/14/86/90/857148690.db2.gz XONAUPBUBYWUEK-UHFFFAOYSA-N -1 1 385.351 3.902 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594486258 858188637 /nfs/dbraw/zinc/18/86/37/858188637.db2.gz FCKBJKIZXONOTK-VIFPVBQESA-N -1 1 382.816 3.741 20 5 GHBDMM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001212509334 858448502 /nfs/dbraw/zinc/44/85/02/858448502.db2.gz JUCVLMCZRMOHNZ-HNNXBMFYSA-N -1 1 380.441 3.732 20 5 GHBDMM Cc1cc(Br)c([O-])c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000482732572 858805268 /nfs/dbraw/zinc/80/52/68/858805268.db2.gz CEHGLBCURKUAFY-UHFFFAOYSA-N -1 1 394.225 3.812 20 5 GHBDMM C[C@]1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1(F)F ZINC000596476760 858906826 /nfs/dbraw/zinc/90/68/26/858906826.db2.gz KIWNFYNKXZIBPJ-MRXNPFEDSA-N -1 1 397.403 3.853 20 5 GHBDMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000318586299 859848830 /nfs/dbraw/zinc/84/88/30/859848830.db2.gz RJROETDJRGCCKI-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000552247818 860409838 /nfs/dbraw/zinc/40/98/38/860409838.db2.gz BRVKDXXGYXEJTE-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM CC1(C)CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301416966 860474726 /nfs/dbraw/zinc/47/47/26/860474726.db2.gz BCCDHBUYJZPPEC-UHFFFAOYSA-N -1 1 375.450 3.632 20 5 GHBDMM CCOCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000125057315 860568649 /nfs/dbraw/zinc/56/86/49/860568649.db2.gz JKKXWONDVXTOIT-UHFFFAOYSA-N -1 1 390.889 3.514 20 5 GHBDMM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)c([O-])c1 ZINC000186022474 864087681 /nfs/dbraw/zinc/08/76/81/864087681.db2.gz JUHCIDWLBPMYCT-UHFFFAOYSA-N -1 1 385.601 3.646 20 5 GHBDMM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734849459 864475717 /nfs/dbraw/zinc/47/57/17/864475717.db2.gz GZJDMBGVGOXSEM-ZDUSSCGKSA-N -1 1 386.832 3.687 20 5 GHBDMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000608834908 865738114 /nfs/dbraw/zinc/73/81/14/865738114.db2.gz ZYLGQOVYLKCHLN-UHFFFAOYSA-N -1 1 380.853 3.567 20 5 GHBDMM CCOc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc(Cl)c1[O-] ZINC000445432565 868412367 /nfs/dbraw/zinc/41/23/67/868412367.db2.gz WFYPDRHLSNSJHI-UHFFFAOYSA-N -1 1 375.768 3.993 20 5 GHBDMM O=C([O-])/C=C/c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920959660 882474277 /nfs/dbraw/zinc/47/42/77/882474277.db2.gz GSXKLZKBCDHILP-KOEDOTQGSA-N -1 1 385.420 3.925 20 5 GHBDMM COc1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)ccc1[N+](=O)[O-] ZINC000447265199 871283071 /nfs/dbraw/zinc/28/30/71/871283071.db2.gz QOTZKTXMPZOCAD-UHFFFAOYSA-N -1 1 392.364 3.803 20 5 GHBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000122410653 873077473 /nfs/dbraw/zinc/07/74/73/873077473.db2.gz ALWYTTWBWPANQG-UHFFFAOYSA-N -1 1 389.886 3.535 20 5 GHBDMM O=C([N-]CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])c2ccccc21)C(F)(F)F ZINC001197070015 873576423 /nfs/dbraw/zinc/57/64/23/873576423.db2.gz PCCGRSSPHBTINU-CYBMUJFWSA-N -1 1 393.365 3.767 20 5 GHBDMM CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769047481 873760128 /nfs/dbraw/zinc/76/01/28/873760128.db2.gz JIOAWHDDTUTESB-SCLBCKFNSA-N -1 1 386.404 3.503 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1 ZINC000451061005 877298038 /nfs/dbraw/zinc/29/80/38/877298038.db2.gz ZELHBBDKUZSLJR-HNNXBMFYSA-N -1 1 376.434 3.516 20 5 GHBDMM COc1cccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)c1 ZINC000788126149 877844483 /nfs/dbraw/zinc/84/44/83/877844483.db2.gz FBNHDYMDXYBKIT-UHFFFAOYSA-N -1 1 388.380 3.822 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000609767884 883625197 /nfs/dbraw/zinc/62/51/97/883625197.db2.gz LKWCDIDBXXLXFT-UHFFFAOYSA-N -1 1 382.869 3.795 20 5 GHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000191171627 884526248 /nfs/dbraw/zinc/52/62/48/884526248.db2.gz TYNFYQZRZLMNJM-UHFFFAOYSA-N -1 1 382.825 3.868 20 5 GHBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498663059 885218246 /nfs/dbraw/zinc/21/82/46/885218246.db2.gz SENXDDRISRDLLH-UHFFFAOYSA-N -1 1 399.819 3.922 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c([N+](=O)[O-])c1 ZINC000130485442 890745754 /nfs/dbraw/zinc/74/57/54/890745754.db2.gz GOQKACDBLKWPLU-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000815015559 893341260 /nfs/dbraw/zinc/34/12/60/893341260.db2.gz JNUCKZNAQITCNG-NSHDSACASA-N -1 1 388.829 3.513 20 5 GHBDMM CCc1nnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)s1 ZINC000131375354 897425604 /nfs/dbraw/zinc/42/56/04/897425604.db2.gz KKMAOUOWPXVIES-UHFFFAOYSA-N -1 1 391.634 3.677 20 5 GHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccccc1Br ZINC000800052062 898539398 /nfs/dbraw/zinc/53/93/98/898539398.db2.gz FEOZEVKDRXZXTK-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303463376 914820011 /nfs/dbraw/zinc/82/00/11/914820011.db2.gz LZIJPOJUPHXLNO-UHFFFAOYSA-N -1 1 398.868 3.729 20 5 GHBDMM COc1cc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)ccc1Cl ZINC001212972903 916164185 /nfs/dbraw/zinc/16/41/85/916164185.db2.gz LIGPVQUCHKCENO-UHFFFAOYSA-N -1 1 389.677 3.716 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001190026568 917063414 /nfs/dbraw/zinc/06/34/14/917063414.db2.gz ZGDNADMUJIFIEF-LSDHHAIUSA-N -1 1 378.425 3.739 20 5 GHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800932512 920618217 /nfs/dbraw/zinc/61/82/17/920618217.db2.gz GXJDECYMDJTMQI-UHFFFAOYSA-N -1 1 398.799 3.625 20 5 GHBDMM CCc1cc2c(COC(=O)c3cccc([N+](=O)[O-])c3C)cc(=O)oc2cc1[O-] ZINC000011398135 924931550 /nfs/dbraw/zinc/93/15/50/924931550.db2.gz GSNWTNVLSQGRMJ-UHFFFAOYSA-N -1 1 383.356 3.635 20 5 GHBDMM C/C=C(/C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000751297284 928116140 /nfs/dbraw/zinc/11/61/40/928116140.db2.gz LUWZMSSDGAQHRF-QCDXTXTGSA-N -1 1 389.433 3.609 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000759077768 930266140 /nfs/dbraw/zinc/26/61/40/930266140.db2.gz SRCIQILISAZELI-UHFFFAOYSA-N -1 1 394.302 3.742 20 5 GHBDMM C[C@@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000557735239 931639986 /nfs/dbraw/zinc/63/99/86/931639986.db2.gz WDLIJURBXIJTAH-MLGOLLRUSA-N -1 1 393.490 3.559 20 5 GHBDMM CSCCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000777931168 934217794 /nfs/dbraw/zinc/21/77/94/934217794.db2.gz OBSGEEPJHWODHM-UHFFFAOYSA-N -1 1 384.454 3.749 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC001603511931 973509805 /nfs/dbraw/zinc/50/98/05/973509805.db2.gz AOAIBDKBJCOSAG-SQWLQELKSA-N -1 1 394.468 3.571 20 5 GHBDMM COC(=O)[C@@H](Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O)c1ccccc1 ZINC001227306334 1032365467 /nfs/dbraw/zinc/36/54/67/1032365467.db2.gz INOAPKYEZKJBGE-NRFANRHFSA-N -1 1 392.363 3.651 20 5 GHBDMM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195669351 1020971938 /nfs/dbraw/zinc/97/19/38/1020971938.db2.gz ZYHVZYJBFPFAST-ZDUSSCGKSA-N -1 1 398.868 3.611 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000755000725 1023009893 /nfs/dbraw/zinc/00/98/93/1023009893.db2.gz HVDHSAAAHIAHNR-UHFFFAOYSA-N -1 1 390.248 3.901 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001228859079 1033140989 /nfs/dbraw/zinc/14/09/89/1033140989.db2.gz IKYSEGABIZUCAL-TXEJJXNPSA-N -1 1 384.310 3.841 20 5 GHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(C(F)(F)F)c1O ZINC001152448373 1031245897 /nfs/dbraw/zinc/24/58/97/1031245897.db2.gz CLTLKEZIBDEJRJ-UHFFFAOYSA-N -1 1 376.674 3.931 20 5 GHBDMM CSc1cc(F)ccc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001277095041 1031757516 /nfs/dbraw/zinc/75/75/16/1031757516.db2.gz QHFFIJLZQUZCFD-UHFFFAOYSA-N -1 1 378.381 3.869 20 5 GHBDMM Cc1cc(=O)oc2cc([O-])cc(OC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c12 ZINC001226488237 1031979317 /nfs/dbraw/zinc/97/93/17/1031979317.db2.gz FSRWLZJIDLNSNQ-UHFFFAOYSA-N -1 1 396.399 3.763 20 5 GHBDMM COC(=O)[C@H](Cc1ccccc1)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229516887 1033533758 /nfs/dbraw/zinc/53/37/58/1033533758.db2.gz KONBPNXRDVVHLC-NRFANRHFSA-N -1 1 390.391 3.815 20 5 GHBDMM CCOC(=O)[C@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C(F)(F)F ZINC001229515506 1033533907 /nfs/dbraw/zinc/53/39/07/1033533907.db2.gz UDJRTENROBHROD-INIZCTEOSA-N -1 1 382.290 3.525 20 5 GHBDMM CCOc1cc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC001157525193 1033640426 /nfs/dbraw/zinc/64/04/26/1033640426.db2.gz YVJHEOSCNQOSGK-LLVKDONJSA-N -1 1 378.812 3.886 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]([C@@H]2F)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001229750263 1033684783 /nfs/dbraw/zinc/68/47/83/1033684783.db2.gz LWKJAUIRHHXUOB-AWBCAMRRSA-N -1 1 396.415 3.866 20 5 GHBDMM COC(=O)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1cccc(Br)c1 ZINC001229750318 1033685047 /nfs/dbraw/zinc/68/50/47/1033685047.db2.gz MIJVIGZJFYEQKQ-OAHLLOKOSA-N -1 1 396.193 3.664 20 5 GHBDMM C[C@H]1[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507668 1039398149 /nfs/dbraw/zinc/39/81/49/1039398149.db2.gz ZVPZSMAENTVWLA-SDBXPKJASA-N -1 1 382.804 3.511 20 5 GHBDMM C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ccncc1F ZINC001234124736 1039866300 /nfs/dbraw/zinc/86/63/00/1039866300.db2.gz KKFNSFZLKLYCGC-SECBINFHSA-N -1 1 383.331 3.737 20 5 GHBDMM COC(=O)c1nc(-c2ccccc2)[n-]c(=O)c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001234556300 1040125826 /nfs/dbraw/zinc/12/58/26/1040125826.db2.gz CZDLRHJYEQQABG-LBPRGKRZSA-N -1 1 395.371 3.684 20 5 GHBDMM COc1ccccc1CSc1ccccc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001294743365 1044779658 /nfs/dbraw/zinc/77/96/58/1044779658.db2.gz XZQDSRJDKFUVCP-UHFFFAOYSA-N -1 1 384.417 3.871 20 5 GHBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001298973847 1045993194 /nfs/dbraw/zinc/99/31/94/1045993194.db2.gz OBHPUFPXYHGQDM-UHFFFAOYSA-N -1 1 384.360 3.569 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2F)C(C)C)cc1F ZINC001309661090 1050906545 /nfs/dbraw/zinc/90/65/45/1050906545.db2.gz LICXFQUGBDTSGJ-KRWDZBQOSA-N -1 1 384.404 3.857 20 5 GHBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C)C2 ZINC001309681888 1050916786 /nfs/dbraw/zinc/91/67/86/1050916786.db2.gz MUNDUEJRNUSJEM-BZNIZROVSA-N -1 1 380.853 3.768 20 5 GHBDMM CC(C)(C(=O)Nc1ccc(Br)c([O-])c1)c1ccccc1[N+](=O)[O-] ZINC001343960995 1054145996 /nfs/dbraw/zinc/14/59/96/1054145996.db2.gz HPPAWEITUKVCOP-UHFFFAOYSA-N -1 1 379.210 3.979 20 5 GHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cc(F)cc(F)c1[O-] ZINC001451747589 1060829875 /nfs/dbraw/zinc/82/98/75/1060829875.db2.gz AQMOGPXOWJIQOB-UHFFFAOYSA-N -1 1 387.136 3.522 20 5 GHBDMM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC001463373872 1064293017 /nfs/dbraw/zinc/29/30/17/1064293017.db2.gz LOBAFBONYPERLQ-AWEZNQCLSA-N -1 1 396.868 3.507 20 5 GHBDMM CC1(C)CCC[C@@H]1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001464131866 1064844998 /nfs/dbraw/zinc/84/49/98/1064844998.db2.gz DQKKRWGFDDMOKF-SNVBAGLBSA-N -1 1 378.853 3.882 20 5 GHBDMM O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001464687589 1065156397 /nfs/dbraw/zinc/15/63/97/1065156397.db2.gz OQHFQDHDFKHUBS-UHFFFAOYSA-N -1 1 389.839 3.981 20 5 GHBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Oc1ccccc1 ZINC001472501072 1073517089 /nfs/dbraw/zinc/51/70/89/1073517089.db2.gz VBWQGVIALAVCNY-CYBMUJFWSA-N -1 1 379.372 3.979 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC2=CCCCCC2)cc1Cl ZINC001475182243 1074774024 /nfs/dbraw/zinc/77/40/24/1074774024.db2.gz MZVVJQRIFNKNAC-UHFFFAOYSA-N -1 1 376.837 3.946 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)s1 ZINC001475394290 1074859465 /nfs/dbraw/zinc/85/94/65/1074859465.db2.gz RBVVWTZLTAOXCF-GFCCVEGCSA-N -1 1 398.359 3.686 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000584368051 835932168 /nfs/dbraw/zinc/93/21/68/835932168.db2.gz VIKYWHPHZKBDBE-UHFFFAOYSA-N -1 1 390.339 3.699 20 5 GHBDMM CCCCc1nc2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000236945151 839411045 /nfs/dbraw/zinc/41/10/45/839411045.db2.gz ATDJPXWQYOJTIS-UHFFFAOYSA-N -1 1 382.376 3.764 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000050534450 840297263 /nfs/dbraw/zinc/29/72/63/840297263.db2.gz ULAULDDSYNWMQE-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044771824 841488172 /nfs/dbraw/zinc/48/81/72/841488172.db2.gz RNPVODPSCOORED-SCZZXKLOSA-N -1 1 386.779 3.648 20 5 GHBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])c2cccnc12 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JXQKEOUBUMXMNB-OAHLLOKOSA-N -1 1 376.416 3.978 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000516786116 852998208 /nfs/dbraw/zinc/99/82/08/852998208.db2.gz FPGCGIMHVCYMCT-UHFFFAOYSA-N -1 1 386.882 3.709 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427348469 853011926 /nfs/dbraw/zinc/01/19/26/853011926.db2.gz BJBNSWDPLJUZAF-UHFFFAOYSA-N -1 1 387.417 3.921 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000165146759 854730723 /nfs/dbraw/zinc/73/07/23/854730723.db2.gz FHXFZWYJPHRSIU-UHFFFAOYSA-N -1 1 376.434 3.851 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1C ZINC000164656488 857359482 /nfs/dbraw/zinc/35/94/82/857359482.db2.gz MJDUNCWLLSIAFN-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000486637044 857928378 /nfs/dbraw/zinc/92/83/78/857928378.db2.gz FKEYEHHIEUNJFH-SECBINFHSA-N -1 1 375.233 3.941 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1C ZINC000484812543 860383466 /nfs/dbraw/zinc/38/34/66/860383466.db2.gz SQCWHMRXIMOWSI-UHFFFAOYSA-N -1 1 398.824 3.672 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000608955991 865855169 /nfs/dbraw/zinc/85/51/69/865855169.db2.gz VJBXFHYDXKLUIG-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000445575728 868689425 /nfs/dbraw/zinc/68/94/25/868689425.db2.gz GMBMXDQDGCQOBI-UHFFFAOYSA-N -1 1 379.332 3.543 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000509642438 871057152 /nfs/dbraw/zinc/05/71/52/871057152.db2.gz XKTNTJRZUWYVLW-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc([N+](=O)[O-])c1F ZINC000768280895 873229505 /nfs/dbraw/zinc/22/95/05/873229505.db2.gz ZFVKMIBFYAYAQK-UHFFFAOYSA-N -1 1 392.330 3.948 20 5 GHBDMM Cc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1-c1ccccc1C(C)C ZINC000121476466 873379796 /nfs/dbraw/zinc/37/97/96/873379796.db2.gz YYHYKQGXZCDJDS-UHFFFAOYSA-N -1 1 383.383 3.999 20 5 GHBDMM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)oc21 ZINC000768800084 873561048 /nfs/dbraw/zinc/56/10/48/873561048.db2.gz XKYOTFRKCHZDDA-JTQLQIEISA-N -1 1 396.446 3.841 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000491578211 875802995 /nfs/dbraw/zinc/80/29/95/875802995.db2.gz DTGMPFSHIAUJQZ-UHFFFAOYSA-N -1 1 378.450 3.937 20 5 GHBDMM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443987445 877372380 /nfs/dbraw/zinc/37/23/80/877372380.db2.gz HAYOMGDQGWJXIJ-CYBMUJFWSA-N -1 1 388.367 3.875 20 5 GHBDMM CC(C)n1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n[n-]c1=S ZINC000068446922 878530550 /nfs/dbraw/zinc/53/05/50/878530550.db2.gz FPVCBILFMAMAOV-UHFFFAOYSA-N -1 1 381.483 3.511 20 5 GHBDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)o1 ZINC000609429069 883186720 /nfs/dbraw/zinc/18/67/20/883186720.db2.gz NWDAKULUGHYJAV-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476958721 883477237 /nfs/dbraw/zinc/47/72/37/883477237.db2.gz PYXCCUWJBZXGEH-UHFFFAOYSA-N -1 1 382.869 3.856 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000609720231 883592786 /nfs/dbraw/zinc/59/27/86/883592786.db2.gz MMONRZJOZPAZLH-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1ccc(-c2cc(=NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[nH][n-]2)s1 ZINC000609842886 883721898 /nfs/dbraw/zinc/72/18/98/883721898.db2.gz CCPYJZOYSHDNPJ-UHFFFAOYSA-N -1 1 376.825 3.611 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860049188 884290821 /nfs/dbraw/zinc/29/08/21/884290821.db2.gz QUANQDWONJGSKU-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000761907955 884968690 /nfs/dbraw/zinc/96/86/90/884968690.db2.gz RHSNNJQGAKHMES-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001170526552 885534820 /nfs/dbraw/zinc/53/48/20/885534820.db2.gz RRLMFWXEUUGDIM-AWEZNQCLSA-N -1 1 398.246 3.640 20 5 GHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(C)c1C ZINC000563909492 894314834 /nfs/dbraw/zinc/31/48/34/894314834.db2.gz HYSWEAMKSOEHIW-UHFFFAOYSA-N -1 1 378.450 3.946 20 5 GHBDMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800052267 898538703 /nfs/dbraw/zinc/53/87/03/898538703.db2.gz NSWULPZJGBOGGB-UHFFFAOYSA-N -1 1 375.381 3.700 20 5 GHBDMM O=C(NCCc1c(F)cc([O-])cc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001178785230 909227098 /nfs/dbraw/zinc/22/70/98/909227098.db2.gz QOMGQQKJIKBEIO-UHFFFAOYSA-N -1 1 390.264 3.570 20 5 GHBDMM COc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1OCc1ccccc1 ZINC001212893145 911370917 /nfs/dbraw/zinc/37/09/17/911370917.db2.gz OGFFAFRJYDSDNH-UHFFFAOYSA-N -1 1 393.359 3.623 20 5 GHBDMM O=C(Nc1ccccc1)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780074524 921720467 /nfs/dbraw/zinc/72/04/67/921720467.db2.gz FWOXZMDVUSKEQY-LJQANCHMSA-N -1 1 392.367 3.837 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)n1 ZINC001187370950 915199653 /nfs/dbraw/zinc/19/96/53/915199653.db2.gz FGDBEBVEELYFJX-GFCCVEGCSA-N -1 1 394.353 3.602 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC001188687619 916112862 /nfs/dbraw/zinc/11/28/62/916112862.db2.gz AQZMHGWZFNUUBL-LLVKDONJSA-N -1 1 386.367 3.688 20 5 GHBDMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016122637 919404717 /nfs/dbraw/zinc/40/47/17/919404717.db2.gz BBDPQMWEHJJYJH-UHFFFAOYSA-N -1 1 395.868 3.958 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000010516259 924225207 /nfs/dbraw/zinc/22/52/07/924225207.db2.gz ZGGARJRKUAKCKR-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000725818757 926456579 /nfs/dbraw/zinc/45/65/79/926456579.db2.gz ADPMOIPOPLQUMP-QGZVFWFLSA-N -1 1 392.820 3.909 20 5 GHBDMM Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(F)cc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC000751733173 928354208 /nfs/dbraw/zinc/35/42/08/928354208.db2.gz ZWVDRWFPPFIHEF-VIFPVBQESA-N -1 1 396.758 3.585 20 5 GHBDMM C/C(=C\C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000752357134 928791365 /nfs/dbraw/zinc/79/13/65/928791365.db2.gz XLINQAFCWLIRQH-XYOKQWHBSA-N -1 1 381.340 3.554 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000758168274 929958514 /nfs/dbraw/zinc/95/85/14/929958514.db2.gz POJAVQCCTTZWKC-UHFFFAOYSA-N -1 1 398.853 3.671 20 5 GHBDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000780419046 930512250 /nfs/dbraw/zinc/51/22/50/930512250.db2.gz YRVHRVJNTAAGQH-UHFFFAOYSA-N -1 1 388.804 3.975 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c(C)c1F ZINC000782912050 931364149 /nfs/dbraw/zinc/36/41/49/931364149.db2.gz DZZFAVCCPOWMJY-UHFFFAOYSA-N -1 1 388.804 3.814 20 5 GHBDMM Cc1c(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000783681597 931616329 /nfs/dbraw/zinc/61/63/29/931616329.db2.gz KJFLHQURROGXHE-UHFFFAOYSA-N -1 1 391.409 3.963 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000778051188 934793359 /nfs/dbraw/zinc/79/33/59/934793359.db2.gz SBWQZVXDRSSVAA-OAHLLOKOSA-N -1 1 394.399 3.787 20 5 GHBDMM O=C([O-])[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1ccc(F)cc1F ZINC001350610795 962551365 /nfs/dbraw/zinc/55/13/65/962551365.db2.gz LNYKJLYEFZNHAN-UONOGXRCSA-N -1 1 396.777 3.827 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000545201811 1015647727 /nfs/dbraw/zinc/64/77/27/1015647727.db2.gz CQUKOUXKMHIIEU-LLVKDONJSA-N -1 1 391.836 3.836 20 5 GHBDMM CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598442040 991857585 /nfs/dbraw/zinc/85/75/85/991857585.db2.gz LFTOEELMGOKHQM-GOEBONIOSA-N -1 1 399.230 3.693 20 5 GHBDMM C[C@@](NCc1cc(F)cc(C(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593293643 994685439 /nfs/dbraw/zinc/68/54/39/994685439.db2.gz WKJWOCXPOSXQFC-INIZCTEOSA-N -1 1 386.301 3.842 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1CN[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599461859 998286579 /nfs/dbraw/zinc/28/65/79/998286579.db2.gz DVGAOAVPTQGTFC-KRWDZBQOSA-N -1 1 399.230 4.000 20 5 GHBDMM COC[C@@H](C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001599161922 998473402 /nfs/dbraw/zinc/47/34/02/998473402.db2.gz PZTAZFMYWGTZBJ-VLIAUNLRSA-N -1 1 384.432 3.817 20 5 GHBDMM O=c1c2cc(OC[C@H]3COc4ccccc4O3)c([O-])cc2oc2cccc(O)c12 ZINC001227307311 1032364899 /nfs/dbraw/zinc/36/48/99/1032364899.db2.gz VTLVXFYHQMUUSW-GFCCVEGCSA-N -1 1 392.363 3.576 20 5 GHBDMM CCOC(=O)[C@@H](CC(C)C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306752 1032365379 /nfs/dbraw/zinc/36/53/79/1032365379.db2.gz MVVWCJJDXRSODA-GOSISDBHSA-N -1 1 386.400 3.714 20 5 GHBDMM CCC[C@@H](CC(=O)OCC)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306949 1032365429 /nfs/dbraw/zinc/36/54/29/1032365429.db2.gz QNZQDIIPHNVWLH-LBPRGKRZSA-N -1 1 386.400 3.858 20 5 GHBDMM CC[C@H]1OC(=O)C(Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])=C1C ZINC001227702141 1032522836 /nfs/dbraw/zinc/52/28/36/1032522836.db2.gz MWDJPSLKFYFZFM-QGZVFWFLSA-N -1 1 397.383 3.828 20 5 GHBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H](C)c3cncnc3)c([N+](=O)[O-])c2)cc1 ZINC001227702603 1032523134 /nfs/dbraw/zinc/52/31/34/1032523134.db2.gz PHRQFOCMAQJHLV-CYBMUJFWSA-N -1 1 379.372 3.770 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000777600600 1017282021 /nfs/dbraw/zinc/28/20/21/1017282021.db2.gz WKWMKFQDXQHJQW-UHFFFAOYSA-N -1 1 393.421 3.697 20 5 GHBDMM COc1cc(/C=C\c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)cc([N+](=O)[O-])c1O ZINC000562288405 1018096180 /nfs/dbraw/zinc/09/61/80/1018096180.db2.gz JQBVGMYCNBZKGE-PLNGDYQASA-N -1 1 398.375 3.503 20 5 GHBDMM Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)o2)cc1C ZINC000780072454 1021449467 /nfs/dbraw/zinc/44/94/67/1021449467.db2.gz QECQXWJQKFSNCW-GFCCVEGCSA-N -1 1 383.360 3.885 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000725828263 1022385145 /nfs/dbraw/zinc/38/51/45/1022385145.db2.gz FFLGLKVVUHKSCA-UHFFFAOYSA-N -1 1 376.821 3.880 20 5 GHBDMM O=C(NC1(c2ccc(C(F)(F)F)cc2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001138188288 1024332656 /nfs/dbraw/zinc/33/26/56/1024332656.db2.gz UDBVJFJLKYXQHJ-UHFFFAOYSA-N -1 1 395.337 3.914 20 5 GHBDMM COC(=O)c1cnc([N-][C@@H](c2ccccc2OC)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001162900288 1025959508 /nfs/dbraw/zinc/95/95/08/1025959508.db2.gz YKFJTVAVJVLTNB-ZDUSSCGKSA-N -1 1 385.298 3.501 20 5 GHBDMM COC(=O)[C@@H](Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O)c1ccccc1 ZINC001229803696 1033728657 /nfs/dbraw/zinc/72/86/57/1033728657.db2.gz RARTZKKDNFZEJC-FQEVSTJZSA-N -1 1 392.363 3.651 20 5 GHBDMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001209428435 1035272543 /nfs/dbraw/zinc/27/25/43/1035272543.db2.gz GHAMSTIWVSCRHO-CQSZACIVSA-N -1 1 384.816 3.662 20 5 GHBDMM COC(=O)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1cccc(F)c1 ZINC001233497883 1039391795 /nfs/dbraw/zinc/39/17/95/1039391795.db2.gz JCBMOJHOKUROED-AWEZNQCLSA-N -1 1 379.731 3.557 20 5 GHBDMM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cccc(F)c1 ZINC001233497883 1039391814 /nfs/dbraw/zinc/39/18/14/1039391814.db2.gz JCBMOJHOKUROED-AWEZNQCLSA-N -1 1 379.731 3.557 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741795 1040269140 /nfs/dbraw/zinc/26/91/40/1040269140.db2.gz MFCQKUVPJNZPTB-GXTWGEPZSA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@@H]3Cc4ccccc4O3)c12 ZINC001234745662 1040269848 /nfs/dbraw/zinc/26/98/48/1040269848.db2.gz WBMGNHOEKAKVFH-HNNXBMFYSA-N -1 1 376.364 3.740 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747789 1040271784 /nfs/dbraw/zinc/27/17/84/1040271784.db2.gz OOADBQQSDFMTSM-SWLSCSKDSA-N -1 1 398.411 3.858 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747793 1040272194 /nfs/dbraw/zinc/27/21/94/1040272194.db2.gz OOADBQQSDFMTSM-WFASDCNBSA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2ccc(O)c(O[C@@H]3CCOc4ccccc43)c2oc2cc([O-])cc(O)c12 ZINC001234750741 1040276809 /nfs/dbraw/zinc/27/68/09/1040276809.db2.gz NXQJTVQIMYOAQE-QGZVFWFLSA-N -1 1 392.363 3.966 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H]4CCOC(C)(C)C4)cc([O-])cc3oc21 ZINC001234752529 1040281578 /nfs/dbraw/zinc/28/15/78/1040281578.db2.gz YOKYNTKYYZZJRL-LBPRGKRZSA-N -1 1 386.400 3.702 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)COC(C)(C)C)cc3c(=O)c12 ZINC001234799071 1040330592 /nfs/dbraw/zinc/33/05/92/1040330592.db2.gz LOYABUQPSXGKLN-NSHDSACASA-N -1 1 388.416 3.948 20 5 GHBDMM COc1ccc(OC[C@H](C)Oc2c([O-])cc(Br)cc2[N+](=O)[O-])cc1 ZINC001234878164 1040393265 /nfs/dbraw/zinc/39/32/65/1040393265.db2.gz SFXAMOPJJITHET-JTQLQIEISA-N -1 1 398.209 3.918 20 5 GHBDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878785 1040393490 /nfs/dbraw/zinc/39/34/90/1040393490.db2.gz XLLVPTRTDQSWGJ-ZWNOBZJWSA-N -1 1 388.214 3.564 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001463104396 1070797033 /nfs/dbraw/zinc/79/70/33/1070797033.db2.gz ZTVPQAPJORUEAU-OUAUKWLOSA-N -1 1 376.837 3.634 20 5 GHBDMM CC[C@@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)s1)c1ccccc1 ZINC001264488973 1047358979 /nfs/dbraw/zinc/35/89/79/1047358979.db2.gz LJOGOFWMONVFOB-CQSZACIVSA-N -1 1 383.433 3.944 20 5 GHBDMM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC001309204762 1050469740 /nfs/dbraw/zinc/46/97/40/1050469740.db2.gz YCRRNLAFNQGREJ-NSHDSACASA-N -1 1 386.832 3.778 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC001309611143 1050861202 /nfs/dbraw/zinc/86/12/02/1050861202.db2.gz CCKGFRHIOCAYFL-UHFFFAOYSA-N -1 1 384.816 3.745 20 5 GHBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001313334836 1053022074 /nfs/dbraw/zinc/02/20/74/1053022074.db2.gz FNMSCOURIXQOMI-UHFFFAOYSA-N -1 1 393.390 3.741 20 5 GHBDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cccnc12 ZINC001318740515 1054836323 /nfs/dbraw/zinc/83/63/23/1054836323.db2.gz QTKRETYQJZAZAE-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)c2)o1 ZINC001445044963 1059446536 /nfs/dbraw/zinc/44/65/36/1059446536.db2.gz HNMHDTUXSHKMAE-UHFFFAOYSA-N -1 1 378.340 3.529 20 5 GHBDMM Cc1ccc(-c2nc([N-]C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n[nH]2)o1 ZINC001457681905 1063309322 /nfs/dbraw/zinc/30/93/22/1063309322.db2.gz AMOHXMLQUVGWDG-UHFFFAOYSA-N -1 1 381.270 3.552 20 5 GHBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H]1C ZINC001463622669 1064506732 /nfs/dbraw/zinc/50/67/32/1064506732.db2.gz HQHHXOLHYSQVEJ-VWYCJHECSA-N -1 1 378.853 3.738 20 5 GHBDMM CCCOc1cc([N-]C(=O)c2cc(CC)on2)c([N+](=O)[O-])cc1OCCC ZINC001351617569 1064533707 /nfs/dbraw/zinc/53/37/07/1064533707.db2.gz LBECYIZGKANNQC-UHFFFAOYSA-N -1 1 377.397 3.975 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC001464355208 1064968480 /nfs/dbraw/zinc/96/84/80/1064968480.db2.gz ZLWJUAYAIKHNKW-ZDUSSCGKSA-N -1 1 376.768 3.533 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2csc3ccccc23)cc1F ZINC001474838533 1074587081 /nfs/dbraw/zinc/58/70/81/1074587081.db2.gz PPFGXGANRDVZGG-UHFFFAOYSA-N -1 1 380.422 3.736 20 5 GHBDMM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001474923392 1074633683 /nfs/dbraw/zinc/63/36/83/1074633683.db2.gz QCDQHGZINVUGRF-UHFFFAOYSA-N -1 1 382.869 3.938 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccc1F ZINC001475442040 1074876931 /nfs/dbraw/zinc/87/69/31/1074876931.db2.gz WUNRFDRODBXFLQ-CYBMUJFWSA-N -1 1 390.795 3.956 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826498555 607449394 /nfs/dbraw/zinc/44/93/94/607449394.db2.gz AHYKHMTWWOPKLX-HNNXBMFYSA-N -1 1 393.432 3.726 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826498555 607449396 /nfs/dbraw/zinc/44/93/96/607449396.db2.gz AHYKHMTWWOPKLX-HNNXBMFYSA-N -1 1 393.432 3.726 20 5 GHBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000820456298 606644518 /nfs/dbraw/zinc/64/45/18/606644518.db2.gz RQJALJONKXVYQW-VIFPVBQESA-N -1 1 389.213 3.711 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2cccc3ccccc32)CC1 ZINC000823615013 606704312 /nfs/dbraw/zinc/70/43/12/606704312.db2.gz XESWKXBXGIXJJB-UHFFFAOYSA-N -1 1 399.414 3.617 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2cccc3ccccc32)CC1 ZINC000823615013 606704313 /nfs/dbraw/zinc/70/43/13/606704313.db2.gz XESWKXBXGIXJJB-UHFFFAOYSA-N -1 1 399.414 3.617 20 5 GHBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000820281222 606706169 /nfs/dbraw/zinc/70/61/69/606706169.db2.gz UEEXLGSXJXTPSB-MRVPVSSYSA-N -1 1 394.222 3.692 20 5 GHBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000820281222 606706171 /nfs/dbraw/zinc/70/61/71/606706171.db2.gz UEEXLGSXJXTPSB-MRVPVSSYSA-N -1 1 394.222 3.692 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000728591274 834680002 /nfs/dbraw/zinc/68/00/02/834680002.db2.gz TZSXPADVTBCFOM-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000188416245 835842569 /nfs/dbraw/zinc/84/25/69/835842569.db2.gz PASKVRUGEHOIDT-UHFFFAOYSA-N -1 1 377.347 3.559 20 5 GHBDMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000179868700 836156003 /nfs/dbraw/zinc/15/60/03/836156003.db2.gz UWARXACQUJPTMX-DOMZBBRYSA-N -1 1 390.889 3.510 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000547966225 838044025 /nfs/dbraw/zinc/04/40/25/838044025.db2.gz XQBYNQBYFHWIHS-SFHVURJKSA-N -1 1 395.440 3.623 20 5 GHBDMM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)S1 ZINC000103216172 838366830 /nfs/dbraw/zinc/36/68/30/838366830.db2.gz XHUBJWQZKSGQPZ-YBEGLDIGSA-N -1 1 392.396 3.771 20 5 GHBDMM COc1cccc(Cc2nnc([N-]C(=O)c3cc([N+](=O)[O-])c(C)s3)s2)c1 ZINC000107178137 841205833 /nfs/dbraw/zinc/20/58/33/841205833.db2.gz YQYAESUYWHFLAI-UHFFFAOYSA-N -1 1 390.446 3.668 20 5 GHBDMM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000134543198 841738215 /nfs/dbraw/zinc/73/82/15/841738215.db2.gz VTQAZYHAMNZWEB-UHFFFAOYSA-N -1 1 389.359 3.732 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000730767457 861265112 /nfs/dbraw/zinc/26/51/12/861265112.db2.gz VWYMLQPSCAXXMP-UHFFFAOYSA-N -1 1 395.868 3.958 20 5 GHBDMM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473213676 842614597 /nfs/dbraw/zinc/61/45/97/842614597.db2.gz FWPWQKCFKCNUAN-LLVKDONJSA-N -1 1 398.444 3.927 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1F ZINC001211689007 842736433 /nfs/dbraw/zinc/73/64/33/842736433.db2.gz IYIPHNIEUFQWGP-GXTWGEPZSA-N -1 1 384.816 3.530 20 5 GHBDMM Cc1cc2cc(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2[nH]1 ZINC000510716305 843271824 /nfs/dbraw/zinc/27/18/24/843271824.db2.gz VMEVCARFKAIMBK-UHFFFAOYSA-N -1 1 379.825 3.516 20 5 GHBDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000603987198 861509627 /nfs/dbraw/zinc/50/96/27/861509627.db2.gz MRPHVXCSLSZEQT-UHFFFAOYSA-N -1 1 398.824 3.534 20 5 GHBDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)n1 ZINC000603975690 861523646 /nfs/dbraw/zinc/52/36/46/861523646.db2.gz HAVILELDDAMHNF-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM CCc1ccc(-c2cc(C(=O)[N-]c3cc(C(=O)OC)cc([N+](=O)[O-])c3)no2)cc1 ZINC001126373049 845592122 /nfs/dbraw/zinc/59/21/22/845592122.db2.gz QCOVLCORGJMRDS-UHFFFAOYSA-N -1 1 395.371 3.851 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000014232963 845849322 /nfs/dbraw/zinc/84/93/22/845849322.db2.gz YPKFVFAQTSYZGX-UHFFFAOYSA-N -1 1 378.740 3.650 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000467399793 851004249 /nfs/dbraw/zinc/00/42/49/851004249.db2.gz QODRFIRBOIZIFL-NSHDSACASA-N -1 1 394.396 3.937 20 5 GHBDMM CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000910368458 851159277 /nfs/dbraw/zinc/15/92/77/851159277.db2.gz AQDHXEDDBAQVTR-WBVHZDCISA-N -1 1 375.812 3.804 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488671048 851685329 /nfs/dbraw/zinc/68/53/29/851685329.db2.gz LCVXENWGPQBSAV-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM Cc1ccc([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)cc1[N+](=O)[O-] ZINC000132928542 862330931 /nfs/dbraw/zinc/33/09/31/862330931.db2.gz UXLOCBXBXLSMBW-JTQLQIEISA-N -1 1 379.210 3.862 20 5 GHBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000516788021 853000387 /nfs/dbraw/zinc/00/03/87/853000387.db2.gz YUKPYAMUQCDHJC-MRXNPFEDSA-N -1 1 396.852 3.686 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000481950439 862544429 /nfs/dbraw/zinc/54/44/29/862544429.db2.gz BFOZHVGFDZVUIW-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000481965015 862573970 /nfs/dbraw/zinc/57/39/70/862573970.db2.gz CPBDJUNHSBTCBP-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CC[C@@H](F)C1 ZINC000588842425 854543399 /nfs/dbraw/zinc/54/33/99/854543399.db2.gz BIQUUHIGBXBFAL-OCCSQVGLSA-N -1 1 379.413 3.698 20 5 GHBDMM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000542692920 855461895 /nfs/dbraw/zinc/46/18/95/855461895.db2.gz CVSWCSWONWUBRL-UHFFFAOYSA-N -1 1 380.853 3.647 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1F ZINC000520862150 857332181 /nfs/dbraw/zinc/33/21/81/857332181.db2.gz WMQULYOXZXTGMQ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000521767600 858311546 /nfs/dbraw/zinc/31/15/46/858311546.db2.gz QSNOPOSIGRHYKZ-UHFFFAOYSA-N -1 1 398.868 3.513 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1[N+](=O)[O-] ZINC000171055120 863017707 /nfs/dbraw/zinc/01/77/07/863017707.db2.gz NBBPQJVHWBFSRH-UHFFFAOYSA-N -1 1 399.428 3.775 20 5 GHBDMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000482738520 858809550 /nfs/dbraw/zinc/80/95/50/858809550.db2.gz VQPJMNOPGIQHKO-UHFFFAOYSA-N -1 1 383.173 3.692 20 5 GHBDMM Cc1cc([N+](=O)[O-])cnc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000301961343 859546992 /nfs/dbraw/zinc/54/69/92/859546992.db2.gz QVNOVDCJBVOYDS-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1C(C)C ZINC000484162192 859856269 /nfs/dbraw/zinc/85/62/69/859856269.db2.gz NPJNHYBZRHNKJK-UHFFFAOYSA-N -1 1 394.449 3.845 20 5 GHBDMM Cc1cccc(C2([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CCCC2)c1 ZINC000727462206 860102755 /nfs/dbraw/zinc/10/27/55/860102755.db2.gz PNZCEUADAGXCEL-UHFFFAOYSA-N -1 1 378.425 3.790 20 5 GHBDMM CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1C(CC)CC ZINC000480251896 864360978 /nfs/dbraw/zinc/36/09/78/864360978.db2.gz TZCXCEJNMPJDFQ-UHFFFAOYSA-N -1 1 396.469 3.530 20 5 GHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C ZINC000736420913 865203126 /nfs/dbraw/zinc/20/31/26/865203126.db2.gz NMZQELCFMQAPOL-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM O=C(N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552866607 866385953 /nfs/dbraw/zinc/38/59/53/866385953.db2.gz IYXQDVVFWVZUOS-KGLIPLIRSA-N -1 1 395.337 3.780 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cc1ccccc1 ZINC000016729667 867052212 /nfs/dbraw/zinc/05/22/12/867052212.db2.gz FLICEJKZCHMNER-UHFFFAOYSA-N -1 1 398.440 3.995 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479143595 867234135 /nfs/dbraw/zinc/23/41/35/867234135.db2.gz VATYKKDUICBNHA-GFCCVEGCSA-N -1 1 386.779 3.566 20 5 GHBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000445131304 867843977 /nfs/dbraw/zinc/84/39/77/867843977.db2.gz DBHLADSEZIIXOJ-ZJUUUORDSA-N -1 1 383.326 3.636 20 5 GHBDMM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000462295930 869190099 /nfs/dbraw/zinc/19/00/99/869190099.db2.gz ACZWFTFIKNFUKV-GFCCVEGCSA-N -1 1 398.868 3.729 20 5 GHBDMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000446629964 870113964 /nfs/dbraw/zinc/11/39/64/870113964.db2.gz XCHMRUFIDKILPB-UHFFFAOYSA-N -1 1 398.462 3.761 20 5 GHBDMM Cc1ccccc1Cn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000540019034 870208929 /nfs/dbraw/zinc/20/89/29/870208929.db2.gz NGTOKGCMRXHYLZ-UHFFFAOYSA-N -1 1 375.388 3.882 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000766380892 870666759 /nfs/dbraw/zinc/66/67/59/870666759.db2.gz YUZZQYJIXGLWBS-UHFFFAOYSA-N -1 1 398.412 3.639 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(Cl)cccc32)s1 ZINC000540484175 871370815 /nfs/dbraw/zinc/37/08/15/871370815.db2.gz ZMESUCVDZBDRPG-LLVKDONJSA-N -1 1 388.854 3.502 20 5 GHBDMM CCCOc1cc([N-]C(=O)c2snnc2CC)c([N+](=O)[O-])cc1OCCC ZINC000619206764 872442726 /nfs/dbraw/zinc/44/27/26/872442726.db2.gz WXZVCRCPDKSXAJ-UHFFFAOYSA-N -1 1 394.453 3.839 20 5 GHBDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2[nH]1 ZINC000768862242 873664975 /nfs/dbraw/zinc/66/49/75/873664975.db2.gz JRNPMWRBIFQSLR-UHFFFAOYSA-N -1 1 380.451 3.631 20 5 GHBDMM O=C(Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000770401569 874648075 /nfs/dbraw/zinc/64/80/75/874648075.db2.gz SYLQKJFRQIDIID-UHFFFAOYSA-N -1 1 384.369 3.833 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 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DGNVGCLPQXMXDT-UHFFFAOYSA-N -1 1 387.136 3.902 20 5 GHBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[n-]c1=O ZINC000191479705 885132704 /nfs/dbraw/zinc/13/27/04/885132704.db2.gz VVHUNKGRTQCTMB-ZRDIBKRKSA-N -1 1 395.371 3.675 20 5 GHBDMM CCOc1cc(C(=O)[N-]c2c(OC)cccc2SC)c([N+](=O)[O-])cc1OC ZINC000416121932 886611615 /nfs/dbraw/zinc/61/16/15/886611615.db2.gz MDBRDYQRQDWCQL-UHFFFAOYSA-N -1 1 392.433 3.985 20 5 GHBDMM O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1Cl ZINC000821123774 897725586 /nfs/dbraw/zinc/72/55/86/897725586.db2.gz GQYMWMATVKCODH-UHFFFAOYSA-N -1 1 396.730 3.773 20 5 GHBDMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800052057 898539479 /nfs/dbraw/zinc/53/94/79/898539479.db2.gz YZVHNCDDXKMFFL-UHFFFAOYSA-N -1 1 375.381 3.700 20 5 GHBDMM CCn1c(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068453249 901089930 /nfs/dbraw/zinc/08/99/30/901089930.db2.gz AHFMTBMKRIHYQM-UHFFFAOYSA-N -1 1 395.872 3.542 20 5 GHBDMM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000795284476 909697633 /nfs/dbraw/zinc/69/76/33/909697633.db2.gz RGGDFVTWTHNAOB-AWEZNQCLSA-N -1 1 391.449 3.507 20 5 GHBDMM CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000780072646 921583776 /nfs/dbraw/zinc/58/37/76/921583776.db2.gz RLDISSRPXSAJHW-MRXNPFEDSA-N -1 1 392.795 3.774 20 5 GHBDMM O=C(OCc1ccc(OCc2ccccn2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074055 921715874 /nfs/dbraw/zinc/71/58/74/921715874.db2.gz BZXIIKQUDDOGBF-UHFFFAOYSA-N -1 1 380.356 3.631 20 5 GHBDMM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])SC ZINC001187538320 915339282 /nfs/dbraw/zinc/33/92/82/915339282.db2.gz RDNNPHSMVSHYOZ-UHFFFAOYSA-N -1 1 384.882 3.587 20 5 GHBDMM C[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001188606700 916053849 /nfs/dbraw/zinc/05/38/49/916053849.db2.gz AEFZMPYGIAPQCB-BMLIUANNSA-N -1 1 398.843 3.989 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C2CC2)ccc1F ZINC001190678477 917508043 /nfs/dbraw/zinc/50/80/43/917508043.db2.gz DRCFOSHZCZPCTM-UHFFFAOYSA-N -1 1 384.816 3.743 20 5 GHBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725822795 926459268 /nfs/dbraw/zinc/45/92/68/926459268.db2.gz JRMXFHAZJCLXIV-UHFFFAOYSA-N -1 1 384.841 3.516 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000544640841 929378985 /nfs/dbraw/zinc/37/89/85/929378985.db2.gz KNSIRHOKXQLLNH-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1OCC ZINC000777913529 934048800 /nfs/dbraw/zinc/04/88/00/934048800.db2.gz MXLFYBCCWZQYPU-UHFFFAOYSA-N -1 1 398.412 3.641 20 5 GHBDMM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC001597035234 986468294 /nfs/dbraw/zinc/46/82/94/986468294.db2.gz BMSCZIVOOMADFK-INIZCTEOSA-N -1 1 398.337 3.928 20 5 GHBDMM C[C@H]1Cc2ccccc2N1C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594624575 986685996 /nfs/dbraw/zinc/68/59/96/986685996.db2.gz YQHYZEFICJRCSV-HNNXBMFYSA-N -1 1 395.459 3.709 20 5 GHBDMM CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598508456 992535220 /nfs/dbraw/zinc/53/52/20/992535220.db2.gz JCBQAQAXQRSQFE-HNNXBMFYSA-N -1 1 385.203 3.865 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)[n-]1 ZINC000545618986 1016121375 /nfs/dbraw/zinc/12/13/75/1016121375.db2.gz BEIMLTGPBCSQGY-UHFFFAOYSA-N -1 1 377.360 3.538 20 5 GHBDMM COc1ccc(COc2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cn2)cc1 ZINC000545652605 1016181906 /nfs/dbraw/zinc/18/19/06/1016181906.db2.gz LKZKLRJTTZAGMF-UHFFFAOYSA-N -1 1 393.359 3.623 20 5 GHBDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2[nH]1 ZINC000755979580 1023461926 /nfs/dbraw/zinc/46/19/26/1023461926.db2.gz DPWSGYMEFIKNKH-UHFFFAOYSA-N -1 1 392.412 3.754 20 5 GHBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cc(Br)no1 ZINC001228861045 1033145341 /nfs/dbraw/zinc/14/53/41/1033145341.db2.gz ZVJODKPJDXVURP-BYPYZUCNSA-N -1 1 398.091 3.605 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ncc(Cl)cc2I)ccc1[O-] ZINC001210392486 1027484536 /nfs/dbraw/zinc/48/45/36/1027484536.db2.gz FCESLVZDBBIYHM-UHFFFAOYSA-N -1 1 391.552 3.697 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2nc(Br)ccc2Br)ccc1[O-] ZINC001210396563 1027488819 /nfs/dbraw/zinc/48/88/19/1027488819.db2.gz UZEXZFHCKBENFM-UHFFFAOYSA-N -1 1 389.003 3.964 20 5 GHBDMM O=C(OCc1ccccc1)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225666490 1031530250 /nfs/dbraw/zinc/53/02/50/1031530250.db2.gz JPWGGVZGUNTWHC-SFHVURJKSA-N -1 1 380.356 3.559 20 5 GHBDMM O=C(OCc1ccccc1)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225666490 1031530268 /nfs/dbraw/zinc/53/02/68/1031530268.db2.gz JPWGGVZGUNTWHC-SFHVURJKSA-N -1 1 380.356 3.559 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001229751941 1033687389 /nfs/dbraw/zinc/68/73/89/1033687389.db2.gz ZGLYAWZNCBBHGU-BLLLJJGKSA-N -1 1 384.404 3.725 20 5 GHBDMM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2nc3c(cc(Cl)nc3Cl)[n-]2)C1 ZINC001231049914 1034365612 /nfs/dbraw/zinc/36/56/12/1034365612.db2.gz NWRGKKOYHAFDPN-VIFPVBQESA-N -1 1 394.218 3.831 20 5 GHBDMM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2nc3cc(Cl)nc(Cl)c3[n-]2)C1 ZINC001231049914 1034365626 /nfs/dbraw/zinc/36/56/26/1034365626.db2.gz NWRGKKOYHAFDPN-VIFPVBQESA-N -1 1 394.218 3.831 20 5 GHBDMM COC(=O)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1cccc(F)c1 ZINC001233497885 1039390694 /nfs/dbraw/zinc/39/06/94/1039390694.db2.gz JCBMOJHOKUROED-CQSZACIVSA-N -1 1 379.731 3.557 20 5 GHBDMM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cccc(F)c1 ZINC001233497885 1039390711 /nfs/dbraw/zinc/39/07/11/1039390711.db2.gz JCBMOJHOKUROED-CQSZACIVSA-N -1 1 379.731 3.557 20 5 GHBDMM CC1(C)CC(=O)CC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125490 1039868062 /nfs/dbraw/zinc/86/80/62/1039868062.db2.gz SNACJBLAEBOVRI-MRXNPFEDSA-N -1 1 384.384 3.590 20 5 GHBDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234130580 1039869502 /nfs/dbraw/zinc/86/95/02/1039869502.db2.gz XOPASAFYZIHXPZ-HWPZZCPQSA-N -1 1 391.379 3.565 20 5 GHBDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234740976 1040266019 /nfs/dbraw/zinc/26/60/19/1040266019.db2.gz DBFDHXCZDJADIW-CZUORRHYSA-N -1 1 398.411 3.858 20 5 GHBDMM CCC[C@@H](CC(=O)OCC)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742554 1040268926 /nfs/dbraw/zinc/26/89/26/1040268926.db2.gz QUNCPMQZUQWWSN-ZDUSSCGKSA-N -1 1 386.400 3.858 20 5 GHBDMM CCOC(=O)[C@H](CC(C)C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743961 1040271224 /nfs/dbraw/zinc/27/12/24/1040271224.db2.gz IEIXQZAYDRESBE-SFHVURJKSA-N -1 1 386.400 3.714 20 5 GHBDMM COC(=O)[C@@H](Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12)c1ccccc1 ZINC001234746006 1040272319 /nfs/dbraw/zinc/27/23/19/1040272319.db2.gz YUPOJINVEJUEJI-NRFANRHFSA-N -1 1 392.363 3.651 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)c4cn(C)nc4C)cc([O-])cc3oc21 ZINC001234749864 1040276866 /nfs/dbraw/zinc/27/68/66/1040276866.db2.gz UAAZKMUBWUWYQY-NSHDSACASA-N -1 1 396.399 3.548 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CCc5cccnc54)cc3c(=O)c12 ZINC001234800434 1040331861 /nfs/dbraw/zinc/33/18/61/1040331861.db2.gz HRVUURAMUQPZSO-HNNXBMFYSA-N -1 1 391.379 3.827 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)c4ccccn4)cc3c(=O)c12 ZINC001234801093 1040332454 /nfs/dbraw/zinc/33/24/54/1040332454.db2.gz ODHMXBLEIXGOPG-LLVKDONJSA-N -1 1 379.368 3.901 20 5 GHBDMM CC(C)(C)C(=O)OC1CC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877231 1040391452 /nfs/dbraw/zinc/39/14/52/1040391452.db2.gz MQHVPNMOSMQAGZ-UHFFFAOYSA-N -1 1 388.214 3.562 20 5 GHBDMM CC(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC001462905365 1070645759 /nfs/dbraw/zinc/64/57/59/1070645759.db2.gz YHWXDLQGOXRRDX-UHFFFAOYSA-N -1 1 386.832 3.989 20 5 GHBDMM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001462956861 1070689851 /nfs/dbraw/zinc/68/98/51/1070689851.db2.gz 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20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1 ZINC001463381242 1064300822 /nfs/dbraw/zinc/30/08/22/1064300822.db2.gz DUVHDIXNDRMRCM-CYBMUJFWSA-N -1 1 390.795 3.956 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)cc1F ZINC001474944106 1074644050 /nfs/dbraw/zinc/64/40/50/1074644050.db2.gz VGMQUDUMVSIZMK-GOSISDBHSA-N -1 1 378.425 3.862 20 5 GHBDMM O=[N+]([O-])c1cc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)cs1 ZINC000738358945 599326693 /nfs/dbraw/zinc/32/66/93/599326693.db2.gz GBPMCSJXMIMQBU-UHFFFAOYSA-N -1 1 395.404 3.636 20 5 GHBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000180769584 837525497 /nfs/dbraw/zinc/52/54/97/837525497.db2.gz WTRMLTWCZQQXEY-UHFFFAOYSA-N -1 1 390.302 3.544 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000216142341 837700002 /nfs/dbraw/zinc/70/00/02/837700002.db2.gz BRDZWDDEXXYYBH-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl 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KLPZNWMXFPXSCZ-UHFFFAOYSA-N -1 1 384.417 3.991 20 5 GHBDMM CCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603982928 861500653 /nfs/dbraw/zinc/50/06/53/861500653.db2.gz VMYLYFNCSSHJAG-UHFFFAOYSA-N -1 1 386.813 3.543 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(Cl)c1 ZINC000110122487 849514228 /nfs/dbraw/zinc/51/42/28/849514228.db2.gz JSXJULLCVJILGT-UHFFFAOYSA-N -1 1 399.831 3.788 20 5 GHBDMM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000486795674 850103630 /nfs/dbraw/zinc/10/36/30/850103630.db2.gz RTPKLIAZTQBXOB-UHFFFAOYSA-N -1 1 398.778 3.581 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)c(Cl)c1 ZINC000519201820 850752016 /nfs/dbraw/zinc/75/20/16/850752016.db2.gz ISUBHXJWTOQUHX-UHFFFAOYSA-N -1 1 397.840 3.570 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000435719704 850803678 /nfs/dbraw/zinc/80/36/78/850803678.db2.gz PIGOQRYZGCFJMU-UHFFFAOYSA-N -1 1 397.250 3.647 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1C ZINC000604471246 862212687 /nfs/dbraw/zinc/21/26/87/862212687.db2.gz OTKBJMANINCGAQ-UHFFFAOYSA-N -1 1 391.449 3.533 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436474913 851960697 /nfs/dbraw/zinc/96/06/97/851960697.db2.gz ACXDWLVUKMLZPO-UHFFFAOYSA-N -1 1 390.339 3.737 20 5 GHBDMM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(=O)c1ccc([O-])cc1 ZINC000436889528 852463585 /nfs/dbraw/zinc/46/35/85/852463585.db2.gz QSLFSIQDGNNMLE-UHFFFAOYSA-N -1 1 378.340 3.914 20 5 GHBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000516787867 853000608 /nfs/dbraw/zinc/00/06/08/853000608.db2.gz UAZVHLCYHLYAPU-MRXNPFEDSA-N -1 1 380.853 3.986 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481875045 862458650 /nfs/dbraw/zinc/45/86/50/862458650.db2.gz ZZIKLFSAZDJFMQ-UHFFFAOYSA-N -1 1 389.216 3.637 20 5 GHBDMM COCCCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] 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/nfs/dbraw/zinc/97/76/43/858977643.db2.gz XUIFVPBAEROOEL-UHFFFAOYSA-N -1 1 376.409 3.796 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000611143469 859620581 /nfs/dbraw/zinc/62/05/81/859620581.db2.gz VSSOHRJPFMCFMA-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM CCO[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000474221183 859638370 /nfs/dbraw/zinc/63/83/70/859638370.db2.gz QKVFRDMJIRBHMS-OAHLLOKOSA-N -1 1 390.889 3.512 20 5 GHBDMM O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484262651 859906021 /nfs/dbraw/zinc/90/60/21/859906021.db2.gz RGKZVOFHDWFIOO-OAHLLOKOSA-N -1 1 389.820 3.930 20 5 GHBDMM COc1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000474407544 860005154 /nfs/dbraw/zinc/00/51/54/860005154.db2.gz FILIXZGOHFIEGZ-UHFFFAOYSA-N -1 1 394.453 3.565 20 5 GHBDMM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738198 861117414 /nfs/dbraw/zinc/11/74/14/861117414.db2.gz 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O=c1oc2cc([O-])ccc2c2cc(OC[C@H]3COc4ccccc4O3)c(O)cc12 ZINC001229800985 1033726197 /nfs/dbraw/zinc/72/61/97/1033726197.db2.gz CYABKVXMPLPUCO-CYBMUJFWSA-N -1 1 392.363 3.576 20 5 GHBDMM O=c1c2c(OC3Cc4ccccc4C3)cc([O-])cc2oc2c(O)ccc(O)c12 ZINC001234120668 1039860548 /nfs/dbraw/zinc/86/05/48/1039860548.db2.gz UPOUSCRSILDWII-UHFFFAOYSA-N -1 1 376.364 3.609 20 5 GHBDMM CC(=O)[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ccccc1 ZINC001234125411 1039867196 /nfs/dbraw/zinc/86/71/96/1039867196.db2.gz QQCJJIZWRNEJAM-NRFANRHFSA-N -1 1 392.363 3.772 20 5 GHBDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745714 1040272235 /nfs/dbraw/zinc/27/22/35/1040272235.db2.gz WZQMHAOJWAGLRM-NSHDSACASA-N -1 1 386.400 3.857 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)c4ccncc4)cc([O-])cc3oc21 ZINC001234748422 1040273724 /nfs/dbraw/zinc/27/37/24/1040273724.db2.gz IDRBBUATTSRNTE-LLVKDONJSA-N -1 1 379.368 3.901 20 5 GHBDMM C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 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/nfs/dbraw/zinc/04/25/87/1056042587.db2.gz MHZCYIFUFXJKJV-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2c(F)cccc2F)s1 ZINC001438285531 1064024315 /nfs/dbraw/zinc/02/43/15/1064024315.db2.gz NPZCQIPWIVGLHS-UHFFFAOYSA-N -1 1 392.343 3.652 20 5 GHBDMM Cc1cccc(C)c1OC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC001466074314 1065974670 /nfs/dbraw/zinc/97/46/70/1065974670.db2.gz ZZOPYDRLMLOXTN-MRXNPFEDSA-N -1 1 387.436 3.536 20 5 GHBDMM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001474924746 1074634532 /nfs/dbraw/zinc/63/45/32/1074634532.db2.gz WUWWEBIEWKDUMI-LBPRGKRZSA-N -1 1 386.832 3.687 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC001474926445 1074635013 /nfs/dbraw/zinc/63/50/13/1074635013.db2.gz BQALOJMLMRIIQH-UHFFFAOYSA-N -1 1 382.869 3.940 20 5 GHBDMM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001475052992 1074711725 /nfs/dbraw/zinc/71/17/25/1074711725.db2.gz BFFTUAHAPXIHSC-VHSXEESVSA-N -1 1 396.893 3.730 20 5 GHBDMM Cc1cnc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c([N+](=O)[O-])c1 ZINC000822394570 599105348 /nfs/dbraw/zinc/10/53/48/599105348.db2.gz DCDUPZJCBZMANX-UHFFFAOYSA-N -1 1 393.432 3.819 20 5 GHBDMM C[C@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736665142 600080266 /nfs/dbraw/zinc/08/02/66/600080266.db2.gz VHIDJXDGOMBQKG-MRXNPFEDSA-N -1 1 397.200 3.586 20 5 GHBDMM Cc1cc(NC2CCN(Cc3ccc(F)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569726748 602313237 /nfs/dbraw/zinc/31/32/37/602313237.db2.gz DLFIEZXDSNCLGA-UHFFFAOYSA-N -1 1 387.411 3.817 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1Oc1ccccc1 ZINC000823624550 606704231 /nfs/dbraw/zinc/70/42/31/606704231.db2.gz CIGDUDCSEZSUSN-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1Oc1ccccc1 ZINC000823624550 606704233 /nfs/dbraw/zinc/70/42/33/606704233.db2.gz CIGDUDCSEZSUSN-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000823640274 606801805 /nfs/dbraw/zinc/80/18/05/606801805.db2.gz ZTLBNNODRFOIOX-UHFFFAOYSA-N -1 1 381.783 3.589 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000823640274 606801807 /nfs/dbraw/zinc/80/18/07/606801807.db2.gz ZTLBNNODRFOIOX-UHFFFAOYSA-N -1 1 381.783 3.589 20 5 GHBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c(F)ccc([O-])c1F ZINC000579846050 835346241 /nfs/dbraw/zinc/34/62/41/835346241.db2.gz PMBJAENXRHLLJZ-UHFFFAOYSA-N -1 1 376.237 3.527 20 5 GHBDMM CCOc1cc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc(Cl)c1[O-] ZINC001143377095 836032478 /nfs/dbraw/zinc/03/24/78/836032478.db2.gz QPIGRPBUOXSUGI-UHFFFAOYSA-N -1 1 386.738 3.561 20 5 GHBDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000473434684 844429498 /nfs/dbraw/zinc/42/94/98/844429498.db2.gz PRTGAACGBPGFPP-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM CC(C)Sc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610263056 841221733 /nfs/dbraw/zinc/22/17/33/841221733.db2.gz MXZOAZOSGGRQAS-LBPRGKRZSA-N -1 1 381.479 3.530 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000020556801 846168818 /nfs/dbraw/zinc/16/88/18/846168818.db2.gz ATIUGNYIMFRRJH-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM O=C([O-])[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000263420115 846212004 /nfs/dbraw/zinc/21/20/04/846212004.db2.gz OQADEPTXRVWRAH-ZDUSSCGKSA-N -1 1 376.796 3.947 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)n1 ZINC001125610179 847774526 /nfs/dbraw/zinc/77/45/26/847774526.db2.gz JWIZUXGANMGSFM-UHFFFAOYSA-N -1 1 375.797 3.722 20 5 GHBDMM Nc1c(C(=O)Nc2c([O-])cc(Br)cc2Cl)cccc1[N+](=O)[O-] ZINC000514811631 848993437 /nfs/dbraw/zinc/99/34/37/848993437.db2.gz BNAFBRQZPUJPFC-UHFFFAOYSA-N -1 1 386.589 3.551 20 5 GHBDMM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000518782213 850142695 /nfs/dbraw/zinc/14/26/95/850142695.db2.gz OGPLURDCQUEUAZ-UHFFFAOYSA-N -1 1 388.710 3.816 20 5 GHBDMM O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515531444 851137854 /nfs/dbraw/zinc/13/78/54/851137854.db2.gz ZQSBKCRTOCUGHS-UHFFFAOYSA-N -1 1 378.104 3.957 20 5 GHBDMM O=c1cc(C(F)F)nc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000516559518 852720309 /nfs/dbraw/zinc/72/03/09/852720309.db2.gz ZDGCPGJNGWSHIE-UHFFFAOYSA-N -1 1 380.332 3.975 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000518429763 853336946 /nfs/dbraw/zinc/33/69/46/853336946.db2.gz BFWWJGKZRROKDW-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000518660576 853621057 /nfs/dbraw/zinc/62/10/57/853621057.db2.gz YELSAMGAXAOQKX-CYBMUJFWSA-N -1 1 380.853 3.647 20 5 GHBDMM CC(C)(C)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000265806016 857548068 /nfs/dbraw/zinc/54/80/68/857548068.db2.gz WRAVGJBRDIBQBY-UHFFFAOYSA-N -1 1 385.243 3.759 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Br)cc1C ZINC000314185001 858427914 /nfs/dbraw/zinc/42/79/14/858427914.db2.gz NBAVMDILZWFZMJ-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000522002135 858528154 /nfs/dbraw/zinc/52/81/54/858528154.db2.gz UOZGYXHRUVEFSF-UHFFFAOYSA-N -1 1 383.335 3.638 20 5 GHBDMM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000115583541 858577550 /nfs/dbraw/zinc/57/75/50/858577550.db2.gz GFKCQSMWQVVKSQ-OAHLLOKOSA-N -1 1 383.857 3.627 20 5 GHBDMM CC(C)(C)c1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000267439513 858742706 /nfs/dbraw/zinc/74/27/06/858742706.db2.gz HKPIZVAGMYWEAB-UHFFFAOYSA-N -1 1 385.243 3.759 20 5 GHBDMM COc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c([O-])c1 ZINC000443558374 858950301 /nfs/dbraw/zinc/95/03/01/858950301.db2.gz KRHDWAASELPGKT-UHFFFAOYSA-N -1 1 386.282 3.502 20 5 GHBDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000509378130 859229726 /nfs/dbraw/zinc/22/97/26/859229726.db2.gz KCTYPLIMCJKGCK-UHFFFAOYSA-N -1 1 397.456 3.998 20 5 GHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000484257985 859903930 /nfs/dbraw/zinc/90/39/30/859903930.db2.gz RRBGYFZCGQGQRI-CQSZACIVSA-N -1 1 377.400 3.646 20 5 GHBDMM O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031900408 881672742 /nfs/dbraw/zinc/67/27/42/881672742.db2.gz OTQOOSANARSULO-QGZVFWFLSA-N -1 1 389.839 3.521 20 5 GHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c(C)c1 ZINC000736419998 865202689 /nfs/dbraw/zinc/20/26/89/865202689.db2.gz AOWMKTQGBXWXMX-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1Cl ZINC000143579890 867284558 /nfs/dbraw/zinc/28/45/58/867284558.db2.gz NMWXLGAQNKHFKM-KRWDZBQOSA-N -1 1 391.855 3.767 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000746180965 870091959 /nfs/dbraw/zinc/09/19/59/870091959.db2.gz FQNRSEVNIUFYOL-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000770284572 874568793 /nfs/dbraw/zinc/56/87/93/874568793.db2.gz VHMJRHKDRIZTAS-GFCCVEGCSA-N -1 1 384.454 3.501 20 5 GHBDMM C[C@@H]1C[C@@H](C)N(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000465052999 875026579 /nfs/dbraw/zinc/02/65/79/875026579.db2.gz GRUNREVAJUYNFL-ZIAGYGMSSA-N -1 1 375.450 3.630 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1OC(C)C ZINC000491585141 875807914 /nfs/dbraw/zinc/80/79/14/875807914.db2.gz AOVTUGDRYVHEQQ-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM Cc1c(Br)ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1F ZINC000788489407 878098977 /nfs/dbraw/zinc/09/89/77/878098977.db2.gz RNVBMNFUURQGIN-UHFFFAOYSA-N -1 1 395.231 3.667 20 5 GHBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1[O-] ZINC000532012521 880917972 /nfs/dbraw/zinc/91/79/72/880917972.db2.gz OKJIMGGABZIWQA-UHFFFAOYSA-N -1 1 387.289 3.899 20 5 GHBDMM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609520788 883296788 /nfs/dbraw/zinc/29/67/88/883296788.db2.gz FDHLRTLZHRUIPN-UHFFFAOYSA-N -1 1 376.394 3.989 20 5 GHBDMM CCn1ncc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)cc21 ZINC000761895502 884938043 /nfs/dbraw/zinc/93/80/43/884938043.db2.gz YLQCJSAJLQTKKD-UHFFFAOYSA-N -1 1 394.840 3.727 20 5 GHBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000919212530 885103358 /nfs/dbraw/zinc/10/33/58/885103358.db2.gz CKNAHXPDOCJUQV-UHFFFAOYSA-N -1 1 381.296 3.510 20 5 GHBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(C(C)C)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000532853066 889086596 /nfs/dbraw/zinc/08/65/96/889086596.db2.gz BJNAGKVWDOBLKP-KRWDZBQOSA-N -1 1 394.497 3.610 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000814212858 892398301 /nfs/dbraw/zinc/39/83/01/892398301.db2.gz MMKBHRIGWIBCSS-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)cc1F ZINC001185844156 914136853 /nfs/dbraw/zinc/13/68/53/914136853.db2.gz FUWOGXKQLHFUSE-CQSZACIVSA-N -1 1 384.816 3.662 20 5 GHBDMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001147968176 903922648 /nfs/dbraw/zinc/92/26/48/903922648.db2.gz HZSZWIZGCPLFFM-INIZCTEOSA-N -1 1 395.419 3.603 20 5 GHBDMM Cn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000008176393 921307687 /nfs/dbraw/zinc/30/76/87/921307687.db2.gz GPFDUDFECIURKD-UHFFFAOYSA-N -1 1 376.437 3.767 20 5 GHBDMM O=C(CCc1c2ccccc2cc2ccccc21)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001182413090 911626913 /nfs/dbraw/zinc/62/69/13/911626913.db2.gz CSTXACNNPXPPBI-UHFFFAOYSA-N -1 1 399.410 3.593 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC001186909863 914895597 /nfs/dbraw/zinc/89/55/97/914895597.db2.gz TVJZKRZGKGFWTP-UHFFFAOYSA-N -1 1 392.861 3.705 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@@H]2C)cc1F ZINC001187676184 915433502 /nfs/dbraw/zinc/43/35/02/915433502.db2.gz XTQDRDZVBBMFNF-XTZNXHDOSA-N -1 1 396.415 3.783 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001188646902 916076191 /nfs/dbraw/zinc/07/61/91/916076191.db2.gz VLRRDVYNMJVYMQ-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc(F)c(Cl)c3)no2)n[n-]c1C(F)(F)F ZINC001212972311 916162485 /nfs/dbraw/zinc/16/24/85/916162485.db2.gz NLXTXAJYRXNOEE-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc(F)c3Cl)no2)n[n-]c1C(F)(F)F ZINC001212973181 916167340 /nfs/dbraw/zinc/16/73/40/916167340.db2.gz ULKMSBXFSTUUEA-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC001189863454 916963795 /nfs/dbraw/zinc/96/37/95/916963795.db2.gz JSCNZQOGOWDBCI-UHFFFAOYSA-N -1 1 389.260 3.813 20 5 GHBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC2 ZINC001190946380 917655105 /nfs/dbraw/zinc/65/51/05/917655105.db2.gz KRBBKJLIPQIINR-HNNXBMFYSA-N -1 1 380.853 3.913 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)cc1F ZINC001191680579 918109884 /nfs/dbraw/zinc/10/98/84/918109884.db2.gz RTGCSIZNBHOSHH-UHFFFAOYSA-N -1 1 384.816 3.663 20 5 GHBDMM COc1ccc(C=C2SC(=O)[N-]C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015228303 919366886 /nfs/dbraw/zinc/36/68/86/919366886.db2.gz FIRQNQIDOJIHHX-SXGWCWSVSA-N -1 1 386.385 3.506 20 5 GHBDMM CSc1cc2c(cc1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-])OCCO2 ZINC000750187146 927474912 /nfs/dbraw/zinc/47/49/12/927474912.db2.gz YDMOWMYZMAOSCZ-UHFFFAOYSA-N -1 1 380.809 3.994 20 5 GHBDMM Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000777597932 932174952 /nfs/dbraw/zinc/17/49/52/932174952.db2.gz GKROZLRGJIQDLN-UHFFFAOYSA-N -1 1 395.746 3.650 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000560232012 933144790 /nfs/dbraw/zinc/14/47/90/933144790.db2.gz SUGDAUOGOSAZRV-UHFFFAOYSA-N -1 1 383.429 3.690 20 5 GHBDMM CC[C@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc([N+](=O)[O-])c1 ZINC001593623847 953542782 /nfs/dbraw/zinc/54/27/82/953542782.db2.gz XZQYVDYCBPCRDB-QAPCUYQASA-N -1 1 387.436 3.730 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591791101 975981046 /nfs/dbraw/zinc/98/10/46/975981046.db2.gz JBOJSRYKNJGMKN-LBPRGKRZSA-N -1 1 391.449 3.526 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000191787575 1020813394 /nfs/dbraw/zinc/81/33/94/1020813394.db2.gz IPNQAMNWVSGMGA-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM C[C@@H]1C[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952071 1021661841 /nfs/dbraw/zinc/66/18/41/1021661841.db2.gz JTMYXCBHQAXAHH-DZHLUBAWSA-N -1 1 385.258 3.677 20 5 GHBDMM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831538361 1024627326 /nfs/dbraw/zinc/62/73/26/1024627326.db2.gz BDYNPEKTVCUQIE-UHFFFAOYSA-N -1 1 399.296 3.633 20 5 GHBDMM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001211438166 1027958937 /nfs/dbraw/zinc/95/89/37/1027958937.db2.gz AAPLHPGRFBIKEF-UHFFFAOYSA-N -1 1 398.799 3.920 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O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1 ZINC000738252325 599027123 /nfs/dbraw/zinc/02/71/23/599027123.db2.gz ZUQGUJVLVXLSIH-UHFFFAOYSA-N -1 1 393.384 3.723 20 5 GHBDMM CC(C)CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833484899 605327863 /nfs/dbraw/zinc/32/78/63/605327863.db2.gz ZEYRPVKNUCORLO-UHFFFAOYSA-N -1 1 392.433 3.682 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Oc2ccccc2)cc1 ZINC000823625026 606706140 /nfs/dbraw/zinc/70/61/40/606706140.db2.gz OGJHMAXLEUZWPW-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Oc2ccccc2)cc1 ZINC000823625026 606706141 /nfs/dbraw/zinc/70/61/41/606706141.db2.gz OGJHMAXLEUZWPW-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc(Oc2ccccc2)c1 ZINC000823630304 607162103 /nfs/dbraw/zinc/16/21/03/607162103.db2.gz WMPXOIJIQMAECE-UHFFFAOYSA-N -1 1 376.332 3.755 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc(Oc2ccccc2)c1 ZINC000823630304 607162105 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378.303 3.862 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000119198742 839892939 /nfs/dbraw/zinc/89/29/39/839892939.db2.gz PRIFAGCMHWSZGU-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)cc1F ZINC001211659630 840726898 /nfs/dbraw/zinc/72/68/98/840726898.db2.gz UDTASDPWWJHDIP-KRWDZBQOSA-N -1 1 384.404 3.857 20 5 GHBDMM O=C([O-])[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC000417637096 841075223 /nfs/dbraw/zinc/07/52/23/841075223.db2.gz YQGVKPNOLCDBAP-GJZGRUSLSA-N -1 1 378.331 3.599 20 5 GHBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000162182139 861489911 /nfs/dbraw/zinc/48/99/11/861489911.db2.gz QXOWOCMZAZOMHV-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000067183231 845521601 /nfs/dbraw/zinc/52/16/01/845521601.db2.gz FHAMUEHDZNCLBA-UHFFFAOYSA-N -1 1 383.433 3.771 20 5 GHBDMM 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/nfs/dbraw/zinc/42/74/81/857427481.db2.gz DIVYVLSSQOPOIK-UHFFFAOYSA-N -1 1 375.384 3.778 20 5 GHBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000486245787 857591915 /nfs/dbraw/zinc/59/19/15/857591915.db2.gz PVBJVTZOUUEAKJ-UHFFFAOYSA-N -1 1 379.298 3.688 20 5 GHBDMM C[C@@H]1CC[C@H](C)N1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301883428 858528786 /nfs/dbraw/zinc/52/87/86/858528786.db2.gz JADDANRLJYMEME-OKILXGFUSA-N -1 1 375.450 3.773 20 5 GHBDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000068435561 859028374 /nfs/dbraw/zinc/02/83/74/859028374.db2.gz PKMIWXZLRZDSEC-UHFFFAOYSA-N -1 1 389.481 3.758 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000508429538 859159959 /nfs/dbraw/zinc/15/99/59/859159959.db2.gz YAPKZGAJEBPQDW-OAHLLOKOSA-N -1 1 389.839 3.976 20 5 GHBDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000161068190 859547457 /nfs/dbraw/zinc/54/74/57/859547457.db2.gz QUHMANGFJHFXDS-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CNc1nccc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)c1[N+](=O)[O-] ZINC000594298083 865703342 /nfs/dbraw/zinc/70/33/42/865703342.db2.gz HZZHJTSDDBKFQX-UHFFFAOYSA-N -1 1 380.857 3.860 20 5 GHBDMM COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440042581 865730488 /nfs/dbraw/zinc/73/04/88/865730488.db2.gz GBKCMMGJCFRLJU-CYBMUJFWSA-N -1 1 393.399 3.862 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1Br ZINC000534206060 866270082 /nfs/dbraw/zinc/27/00/82/866270082.db2.gz FSCQLEXZMGYGDG-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552866609 866386091 /nfs/dbraw/zinc/38/60/91/866386091.db2.gz IYXQDVVFWVZUOS-ZIAGYGMSSA-N -1 1 395.337 3.780 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000534682730 867243619 /nfs/dbraw/zinc/24/36/19/867243619.db2.gz IQVGMFFVMDECLP-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM C[C@@H](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000445005092 867630094 /nfs/dbraw/zinc/63/00/94/867630094.db2.gz BTFMQSOCSQCSKJ-JTQLQIEISA-N -1 1 383.326 3.638 20 5 GHBDMM O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445024441 867659462 /nfs/dbraw/zinc/65/94/62/867659462.db2.gz WDJXAHBQGWJMFX-UHFFFAOYSA-N -1 1 395.337 3.566 20 5 GHBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000462657322 869831244 /nfs/dbraw/zinc/83/12/44/869831244.db2.gz JDVDDITVAHRGST-SECBINFHSA-N -1 1 390.795 3.608 20 5 GHBDMM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000102978123 870882223 /nfs/dbraw/zinc/88/22/23/870882223.db2.gz QUPXIGAEGHMLSZ-UHFFFAOYSA-N -1 1 384.367 3.961 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H]1CCSC1 ZINC000447811780 872339108 /nfs/dbraw/zinc/33/91/08/872339108.db2.gz HVMMAAPYTFNCBP-ZDUSSCGKSA-N -1 1 393.490 3.561 20 5 GHBDMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000794427188 873150818 /nfs/dbraw/zinc/15/08/18/873150818.db2.gz JPBLKDRDSSSVPT-UHFFFAOYSA-N -1 1 394.103 3.925 20 5 GHBDMM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769047475 873760197 /nfs/dbraw/zinc/76/01/97/873760197.db2.gz JIOAWHDDTUTESB-FZKQIMNGSA-N -1 1 386.404 3.503 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1[N+](=O)[O-] ZINC000491573456 875814763 /nfs/dbraw/zinc/81/47/63/875814763.db2.gz SKLWYIMBGFFNJT-UHFFFAOYSA-N -1 1 378.450 3.937 20 5 GHBDMM O=c1nc2nc[nH]c2c(Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[n-]1 ZINC001170234057 881238488 /nfs/dbraw/zinc/23/84/88/881238488.db2.gz PLOXMLRJMQTNTQ-UHFFFAOYSA-N -1 1 380.389 3.862 20 5 GHBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)n1 ZINC000556334408 884506332 /nfs/dbraw/zinc/50/63/32/884506332.db2.gz DRGBICIABNJEEI-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000556352256 884586682 /nfs/dbraw/zinc/58/66/82/884586682.db2.gz QDBJTDJUPJSQMV-UHFFFAOYSA-N -1 1 378.450 3.840 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c([O-])c1 ZINC000812815058 890975054 /nfs/dbraw/zinc/97/50/54/890975054.db2.gz WSGOQGOYNXQVBS-UHFFFAOYSA-N -1 1 392.412 3.777 20 5 GHBDMM CC(C)(C)c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000872006975 891107518 /nfs/dbraw/zinc/10/75/18/891107518.db2.gz DOPCRNNGBYLMMG-UHFFFAOYSA-N -1 1 376.434 3.723 20 5 GHBDMM Cc1nc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)sc1C(=O)[O-] ZINC000872164322 891188678 /nfs/dbraw/zinc/18/86/78/891188678.db2.gz FVIFWBFDMKZNQT-UHFFFAOYSA-N -1 1 375.450 3.746 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000917746173 892496824 /nfs/dbraw/zinc/49/68/24/892496824.db2.gz FUGIVUQVJLMXNQ-UHFFFAOYSA-N -1 1 381.429 3.688 20 5 GHBDMM CC(C)Oc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918193873 893340284 /nfs/dbraw/zinc/34/02/84/893340284.db2.gz NUUAMYGJUAEXGY-GFCCVEGCSA-N -1 1 382.413 3.561 20 5 GHBDMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001185486919 913906269 /nfs/dbraw/zinc/90/62/69/913906269.db2.gz FZBLBCBLTJCRJO-CQSZACIVSA-N -1 1 381.429 3.585 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc([N+](=O)[O-])c1F ZINC000778568331 896826047 /nfs/dbraw/zinc/82/60/47/896826047.db2.gz YGTIPBJBJLBSQA-UHFFFAOYSA-N -1 1 375.381 3.838 20 5 GHBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000578043315 903471254 /nfs/dbraw/zinc/47/12/54/903471254.db2.gz YRBCYIZKFDUAFI-UHFFFAOYSA-N -1 1 387.783 3.668 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001175576512 907642493 /nfs/dbraw/zinc/64/24/93/907642493.db2.gz DWXYVISOZXQBRE-PBHICJAKSA-N -1 1 391.468 3.522 20 5 GHBDMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC001186901443 914891309 /nfs/dbraw/zinc/89/13/09/914891309.db2.gz ZQOTUXXUGKXLHJ-CYBMUJFWSA-N -1 1 382.869 3.775 20 5 GHBDMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001187874792 915601088 /nfs/dbraw/zinc/60/10/88/915601088.db2.gz HBYJHKVARVIVTH-WCQYABFASA-N -1 1 396.893 3.730 20 5 GHBDMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000800831097 920505527 /nfs/dbraw/zinc/50/55/27/920505527.db2.gz BTVZUYRNCQZSAK-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800928735 920612693 /nfs/dbraw/zinc/61/26/93/920612693.db2.gz SNUFSBVKQSPHOK-UHFFFAOYSA-N -1 1 386.788 3.781 20 5 GHBDMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800929975 920616438 /nfs/dbraw/zinc/61/64/38/920616438.db2.gz CVRBEHSRVVZPEE-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800930765 920616511 /nfs/dbraw/zinc/61/65/11/920616511.db2.gz RAPGTWLDGUMNFF-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H]1CCC=CO1 ZINC000780618446 930561136 /nfs/dbraw/zinc/56/11/36/930561136.db2.gz DZGSQSFZLAXUTI-HNNXBMFYSA-N -1 1 389.433 3.500 20 5 GHBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000557361059 931374937 /nfs/dbraw/zinc/37/49/37/931374937.db2.gz LQCWOZORNIGDKX-UHFFFAOYSA-N -1 1 385.807 3.817 20 5 GHBDMM O=C(Nc1nc(Br)ccc1[O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000783911980 931714716 /nfs/dbraw/zinc/71/47/16/931714716.db2.gz VRNCPWZFEYPBTO-UHFFFAOYSA-N -1 1 394.206 3.925 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnc(-c2ccccc2F)s1 ZINC000784213378 931818086 /nfs/dbraw/zinc/81/80/86/931818086.db2.gz GERFBKGKWAZNOC-SECBINFHSA-N -1 1 389.364 3.876 20 5 GHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Br)cc1O ZINC001137825184 935809660 /nfs/dbraw/zinc/80/96/60/935809660.db2.gz AVJJZVMUSJAMFH-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC001603511924 973509314 /nfs/dbraw/zinc/50/93/14/973509314.db2.gz AOAIBDKBJCOSAG-DZKIICNBSA-N -1 1 394.468 3.571 20 5 GHBDMM COc1ccc(C(=O)[O-])c2c1CN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000901550983 980374963 /nfs/dbraw/zinc/37/49/63/980374963.db2.gz DLOUFBMWXMQKPT-GXDHUFHOSA-N -1 1 382.416 3.763 20 5 GHBDMM CCC[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001595600908 981584197 /nfs/dbraw/zinc/58/41/97/981584197.db2.gz PMAMGESTUYMPNV-MRXNPFEDSA-N -1 1 394.374 3.967 20 5 GHBDMM CCN(c1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1)C(C)C ZINC001596385557 983912612 /nfs/dbraw/zinc/91/26/12/983912612.db2.gz HTJJUWLSWGEMKK-UHFFFAOYSA-N -1 1 387.436 3.905 20 5 GHBDMM O=[N+]([O-])c1ccc2nc(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)[n-]c2c1 ZINC001227743293 1032539392 /nfs/dbraw/zinc/53/93/92/1032539392.db2.gz KWMSEHODEUGUAF-LWMSPQMPSA-N -1 1 385.323 3.876 20 5 GHBDMM O=[N+]([O-])c1ccc2[n-]c(O/C(=C\[C@@H](O)C(F)(F)F)c3cccs3)nc2c1 ZINC001227743293 1032539399 /nfs/dbraw/zinc/53/93/99/1032539399.db2.gz KWMSEHODEUGUAF-LWMSPQMPSA-N -1 1 385.323 3.876 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000777594267 1017251124 /nfs/dbraw/zinc/25/11/24/1017251124.db2.gz RSLUXIDRUFKNLT-UHFFFAOYSA-N -1 1 393.421 3.697 20 5 GHBDMM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194347421 1020966687 /nfs/dbraw/zinc/96/66/87/1020966687.db2.gz ZTOHOMYEYCTRSC-GFCCVEGCSA-N -1 1 382.413 3.561 20 5 GHBDMM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000754827968 1022917583 /nfs/dbraw/zinc/91/75/83/1022917583.db2.gz QHLVOGKRPSMSKL-MDZDMXLPSA-N -1 1 384.417 3.706 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000754829170 1022918587 /nfs/dbraw/zinc/91/85/87/1022918587.db2.gz YPIXRIXULWJSJH-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000836835507 1023397833 /nfs/dbraw/zinc/39/78/33/1023397833.db2.gz FFHWRBXOLLPWCI-OAHLLOKOSA-N -1 1 384.436 3.542 20 5 GHBDMM COc1ccc(OC[C@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cc1 ZINC001228858134 1033141593 /nfs/dbraw/zinc/14/15/93/1033141593.db2.gz DABLOILCULLKEW-VIFPVBQESA-N -1 1 388.298 3.569 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(Cl)ccc1F ZINC001211380715 1027931979 /nfs/dbraw/zinc/93/19/79/1027931979.db2.gz ZMHUETIOLZUMGB-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001218713489 1031045590 /nfs/dbraw/zinc/04/55/90/1031045590.db2.gz PETIFOZZRICCPF-UHFFFAOYSA-N -1 1 385.754 3.905 20 5 GHBDMM O=C(OCc1ccccc1)[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225666488 1031530816 /nfs/dbraw/zinc/53/08/16/1031530816.db2.gz JPWGGVZGUNTWHC-GOSISDBHSA-N -1 1 380.356 3.559 20 5 GHBDMM O=C(OCc1ccccc1)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225666488 1031530830 /nfs/dbraw/zinc/53/08/30/1031530830.db2.gz JPWGGVZGUNTWHC-GOSISDBHSA-N -1 1 380.356 3.559 20 5 GHBDMM Cc1ccc([C@H](C)NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1[N+](=O)[O-] ZINC001219673572 1031550805 /nfs/dbraw/zinc/55/08/05/1031550805.db2.gz OMHSOTSNGXPHJQ-ZDUSSCGKSA-N -1 1 381.392 3.677 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1cc(-c2ccccc2)no1 ZINC001226324530 1031916974 /nfs/dbraw/zinc/91/69/74/1031916974.db2.gz KKQHCMULDMPEBH-NSHDSACASA-N -1 1 399.359 3.667 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccccc1 ZINC001229258478 1033373365 /nfs/dbraw/zinc/37/33/65/1033373365.db2.gz GGJWMJWXHXGYBS-CQSZACIVSA-N -1 1 395.415 3.698 20 5 GHBDMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497218 1039391577 /nfs/dbraw/zinc/39/15/77/1039391577.db2.gz GBPITQJELYAJAZ-MGCOHNPYSA-N -1 1 396.831 3.901 20 5 GHBDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500371 1039393728 /nfs/dbraw/zinc/39/37/28/1039393728.db2.gz RGXWBRZZWFIDMO-OTYXRUKQSA-N -1 1 396.831 3.759 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742165 1040268110 /nfs/dbraw/zinc/26/81/10/1040268110.db2.gz NAMUMDVFAKRKSG-OCCSQVGLSA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3COc4cscc4O3)c12 ZINC001234746218 1040272108 /nfs/dbraw/zinc/27/21/08/1040272108.db2.gz CKMYFYUBNWQYHY-LBPRGKRZSA-N -1 1 398.392 3.638 20 5 GHBDMM Cc1cn2c(n1)[C@H](Oc1cc([O-])cc3oc4ccc(O)cc4c(=O)c13)CCC2 ZINC001234747743 1040272826 /nfs/dbraw/zinc/27/28/26/1040272826.db2.gz OBGSTBUCRUZPCA-MRXNPFEDSA-N -1 1 378.384 3.776 20 5 GHBDMM Cc1ccc([C@@H](C)Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)cn1 ZINC001234751052 1040280219 /nfs/dbraw/zinc/28/02/19/1040280219.db2.gz SCMUZZZTJQLYMX-LLVKDONJSA-N -1 1 379.368 3.906 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)COC(C)(C)C)cc3c(=O)c12 ZINC001234799069 1040329790 /nfs/dbraw/zinc/32/97/90/1040329790.db2.gz LOYABUQPSXGKLN-LLVKDONJSA-N -1 1 388.416 3.948 20 5 GHBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC001463233318 1070928755 /nfs/dbraw/zinc/92/87/55/1070928755.db2.gz BTYKFRFUINWNRF-LBPRGKRZSA-N -1 1 399.296 3.631 20 5 GHBDMM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001290312146 1049799404 /nfs/dbraw/zinc/79/94/04/1049799404.db2.gz CTOUSWPHWJDPMP-CQSZACIVSA-N -1 1 395.868 3.582 20 5 GHBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC001309276558 1050547319 /nfs/dbraw/zinc/54/73/19/1050547319.db2.gz SIKSTZPXNRLLBA-OAHLLOKOSA-N -1 1 390.889 3.512 20 5 GHBDMM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309348904 1050621515 /nfs/dbraw/zinc/62/15/15/1050621515.db2.gz URFXKCXQQDSDEQ-BTDLBPIBSA-N -1 1 398.843 3.989 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC001309469286 1050743288 /nfs/dbraw/zinc/74/32/88/1050743288.db2.gz OCTLGKVECMHDAW-AWEZNQCLSA-N -1 1 384.816 3.743 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(c2ccccc2)CC1 ZINC001309871188 1051014643 /nfs/dbraw/zinc/01/46/43/1051014643.db2.gz AHCOWCSVTWPDMD-UHFFFAOYSA-N -1 1 380.853 3.648 20 5 GHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(O)cnc2c(F)cccc21 ZINC001446825205 1059872702 /nfs/dbraw/zinc/87/27/02/1059872702.db2.gz APHWKAYEOVWIJU-UHFFFAOYSA-N -1 1 377.715 3.599 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC001351384485 1064422294 /nfs/dbraw/zinc/42/22/94/1064422294.db2.gz MOPNOOAAILZZSD-MRXNPFEDSA-N -1 1 399.831 3.602 20 5 GHBDMM Cc1ccc2oc(C[N-]S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)cc2c1 ZINC001464082566 1064807510 /nfs/dbraw/zinc/80/75/10/1064807510.db2.gz FWGPQEIYZRRKFS-UHFFFAOYSA-N -1 1 398.799 3.920 20 5 GHBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001358075484 1067388842 /nfs/dbraw/zinc/38/88/42/1067388842.db2.gz AOQXYCFVZGAQLU-UHFFFAOYSA-N -1 1 391.309 3.506 20 5 GHBDMM O=[N+]([O-])c1cccc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)c1 ZINC000738366136 599326648 /nfs/dbraw/zinc/32/66/48/599326648.db2.gz DSZBWIGJMMENRT-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000572978692 834632288 /nfs/dbraw/zinc/63/22/88/834632288.db2.gz VJHDJJUBFRYVKC-UHFFFAOYSA-N -1 1 387.783 3.684 20 5 GHBDMM Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)cc1Cl ZINC000179643985 835915735 /nfs/dbraw/zinc/91/57/35/835915735.db2.gz DLTULXPDJIVIMQ-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000179868731 836155861 /nfs/dbraw/zinc/15/58/61/836155861.db2.gz UWARXACQUJPTMX-WFASDCNBSA-N -1 1 390.889 3.510 20 5 GHBDMM CCCCc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000175515945 836598250 /nfs/dbraw/zinc/59/82/50/836598250.db2.gz WIVXLSLXFXJVBH-UHFFFAOYSA-N -1 1 385.243 3.804 20 5 GHBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c([O-])c1 ZINC000412139823 839797815 /nfs/dbraw/zinc/79/78/15/839797815.db2.gz VVNCQYYEJOHEGZ-UHFFFAOYSA-N -1 1 388.376 3.517 20 5 GHBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000135075496 840455911 /nfs/dbraw/zinc/45/59/11/840455911.db2.gz KYXZQDPQTDRHQR-UHFFFAOYSA-N -1 1 378.357 3.829 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000055547833 861251272 /nfs/dbraw/zinc/25/12/72/861251272.db2.gz BHRRAFHWFQOYSP-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM O=[P@]([O-])(O)C1(Nc2cc3cccnc3c3ncccc23)Cc2ccccc2C1 ZINC001167937260 844799217 /nfs/dbraw/zinc/79/92/17/844799217.db2.gz BDNKXONNYHFEEB-UHFFFAOYSA-N -1 1 391.367 3.868 20 5 GHBDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000603975914 861521924 /nfs/dbraw/zinc/52/19/24/861521924.db2.gz QGFPKGPRUUSITK-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM COC(=O)c1cc([N-]C(=O)c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1 ZINC000513487476 845520693 /nfs/dbraw/zinc/52/06/93/845520693.db2.gz FMZRGXXVCLOJTG-UHFFFAOYSA-N -1 1 383.385 3.757 20 5 GHBDMM COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000182906147 845589168 /nfs/dbraw/zinc/58/91/68/845589168.db2.gz QAVYPWSIPIQMRT-UHFFFAOYSA-N -1 1 381.182 3.632 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2ccc(CN=c3[n-]ncn3Cc3ccccc3)s2)cc1 ZINC000548616488 845828839 /nfs/dbraw/zinc/82/88/39/845828839.db2.gz JSDOCHFKEGTIAQ-UHFFFAOYSA-N -1 1 391.456 3.997 20 5 GHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])c1F ZINC000478082001 846949900 /nfs/dbraw/zinc/94/99/00/846949900.db2.gz FFGNUBCTWBZGJA-UHFFFAOYSA-N -1 1 382.344 3.634 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000216144622 861803124 /nfs/dbraw/zinc/80/31/24/861803124.db2.gz VWRFTPSYLCMZJR-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CC(C)(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000604432122 862203460 /nfs/dbraw/zinc/20/34/60/862203460.db2.gz TWBQBABBMRKNJB-UHFFFAOYSA-N -1 1 382.869 3.894 20 5 GHBDMM CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000910368456 851159454 /nfs/dbraw/zinc/15/94/54/851159454.db2.gz AQDHXEDDBAQVTR-NVXWUHKLSA-N -1 1 375.812 3.804 20 5 GHBDMM Cc1ccoc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000488701428 851714747 /nfs/dbraw/zinc/71/47/47/851714747.db2.gz KZRLXEPSXFPAPA-UHFFFAOYSA-N -1 1 387.417 3.909 20 5 GHBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436789206 852342222 /nfs/dbraw/zinc/34/22/22/852342222.db2.gz JNWZTALDHIMGTG-HNNXBMFYSA-N -1 1 386.795 3.807 20 5 GHBDMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427255618 852908437 /nfs/dbraw/zinc/90/84/37/852908437.db2.gz GSXCIYGTODQSNB-YPMHNXCESA-N -1 1 378.903 3.591 20 5 GHBDMM CC[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301569384 855243843 /nfs/dbraw/zinc/24/38/43/855243843.db2.gz NPHZLKPKLOICLZ-AWEZNQCLSA-N -1 1 375.450 3.632 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1c(F)c(F)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000553766241 855425947 /nfs/dbraw/zinc/42/59/47/855425947.db2.gz JRFYKUCUPDSOGZ-UHFFFAOYSA-N -1 1 390.795 3.740 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000542739037 855594168 /nfs/dbraw/zinc/59/41/68/855594168.db2.gz PKOSJRPAZWGDAY-UHFFFAOYSA-N -1 1 392.767 3.995 20 5 GHBDMM CCCCCc1nnc([N-]C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])s1 ZINC000026769111 856357118 /nfs/dbraw/zinc/35/71/18/856357118.db2.gz UGCSATDWANFPKX-UHFFFAOYSA-N -1 1 394.453 3.839 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000521414314 857971723 /nfs/dbraw/zinc/97/17/23/857971723.db2.gz CMZRRHLYZKRGEM-UHFFFAOYSA-N -1 1 378.450 3.883 20 5 GHBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000068239311 858950628 /nfs/dbraw/zinc/95/06/28/858950628.db2.gz KMTILENWZPJEMR-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000474221182 859638088 /nfs/dbraw/zinc/63/80/88/859638088.db2.gz QKVFRDMJIRBHMS-HNNXBMFYSA-N -1 1 390.889 3.512 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000611196641 859638524 /nfs/dbraw/zinc/63/85/24/859638524.db2.gz XBMZINUPZZQVNR-UHFFFAOYSA-N -1 1 393.399 3.517 20 5 GHBDMM CSC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301334402 860456501 /nfs/dbraw/zinc/45/65/01/860456501.db2.gz NABFGSSNOUQTCO-GFCCVEGCSA-N -1 1 381.479 3.559 20 5 GHBDMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000730360581 861058243 /nfs/dbraw/zinc/05/82/43/861058243.db2.gz YAFVKLDTPFGMCH-QMMMGPOBSA-N -1 1 399.186 3.791 20 5 GHBDMM CC1CCC(OC2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000593736362 861132193 /nfs/dbraw/zinc/13/21/93/861132193.db2.gz IOAPTRBQOGLEBP-UHFFFAOYSA-N -1 1 376.453 3.853 20 5 GHBDMM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173376449 864691311 /nfs/dbraw/zinc/69/13/11/864691311.db2.gz UWGIDJWNDNVLFR-CQSZACIVSA-N -1 1 389.886 3.617 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000738401283 865537661 /nfs/dbraw/zinc/53/76/61/865537661.db2.gz LZKTZCWHHDXNGE-CYBMUJFWSA-N -1 1 390.795 3.956 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000444955959 867555473 /nfs/dbraw/zinc/55/54/73/867555473.db2.gz ANSAZWKXMULSJL-UHFFFAOYSA-N -1 1 393.321 3.644 20 5 GHBDMM CC(C)Oc1ccc2ccccc2c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445212097 867929871 /nfs/dbraw/zinc/92/98/71/867929871.db2.gz LPIKLKMIOJWGOG-UHFFFAOYSA-N -1 1 381.388 3.566 20 5 GHBDMM COc1cc(OCc2nc(-c3ccc([O-])cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000445452199 868484248 /nfs/dbraw/zinc/48/42/48/868484248.db2.gz ARRZUTMXWVSDGL-UHFFFAOYSA-N -1 1 377.740 3.591 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000442724598 868526940 /nfs/dbraw/zinc/52/69/40/868526940.db2.gz VTSDUXBQKNJHLM-VIFPVBQESA-N -1 1 394.396 3.757 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000747123897 882205026 /nfs/dbraw/zinc/20/50/26/882205026.db2.gz JOOZYGIVCIEILD-UHFFFAOYSA-N -1 1 397.305 3.921 20 5 GHBDMM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001192553397 870471928 /nfs/dbraw/zinc/47/19/28/870471928.db2.gz UGDNXQIRUXXJHT-OAHLLOKOSA-N -1 1 382.869 3.938 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1OC(C)C ZINC000766386130 870671390 /nfs/dbraw/zinc/67/13/90/870671390.db2.gz MWLKOPHYPJWDPE-UHFFFAOYSA-N -1 1 398.412 3.639 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1OCC ZINC000540210552 870775700 /nfs/dbraw/zinc/77/57/00/870775700.db2.gz FWTGRNUVFLWCPK-UHFFFAOYSA-N -1 1 394.449 3.810 20 5 GHBDMM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617748755 870831465 /nfs/dbraw/zinc/83/14/65/870831465.db2.gz AAUOUVDAWRJGSW-AWEZNQCLSA-N -1 1 382.416 3.525 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(F)c1 ZINC000447009871 870861429 /nfs/dbraw/zinc/86/14/29/870861429.db2.gz CZQOKZJEVOPGOJ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CC(C)c1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000463179076 871052054 /nfs/dbraw/zinc/05/20/54/871052054.db2.gz YLXIVIUYNYOROS-UHFFFAOYSA-N -1 1 383.448 3.914 20 5 GHBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000463208935 871145614 /nfs/dbraw/zinc/14/56/14/871145614.db2.gz ZNTILABQLOGIFT-CQSZACIVSA-N -1 1 380.404 3.898 20 5 GHBDMM CCc1ccc2ccccc2c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001194602889 871828160 /nfs/dbraw/zinc/82/81/60/871828160.db2.gz RNUKHEQQIBVDJI-UHFFFAOYSA-N -1 1 376.459 3.850 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000447782797 872291898 /nfs/dbraw/zinc/29/18/98/872291898.db2.gz JKELKSOCUGUBKL-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM COc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000443914351 876678984 /nfs/dbraw/zinc/67/89/84/876678984.db2.gz SBZNFBUJOSHCRX-UHFFFAOYSA-N -1 1 392.236 3.874 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000499152524 881314899 /nfs/dbraw/zinc/31/48/99/881314899.db2.gz CNNBPJKFRWLLCO-UHFFFAOYSA-N -1 1 390.461 3.901 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1Cl ZINC000006328249 884328168 /nfs/dbraw/zinc/32/81/68/884328168.db2.gz CCCFQVQDJDIPTD-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000914787541 884792156 /nfs/dbraw/zinc/79/21/56/884792156.db2.gz SVHFOEGRXSGEAV-MASHWEEQSA-N -1 1 387.461 3.613 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000609219590 886258054 /nfs/dbraw/zinc/25/80/54/886258054.db2.gz CWTAPRCLDCVNAS-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM COc1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c([N+](=O)[O-])cc1F ZINC001131535123 887024451 /nfs/dbraw/zinc/02/44/51/887024451.db2.gz YGDZFWINADUOCH-PLNGDYQASA-N -1 1 390.352 3.610 20 5 GHBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OCC ZINC000032590651 887426443 /nfs/dbraw/zinc/42/64/43/887426443.db2.gz MDNFCFHYLUKMIV-UHFFFAOYSA-N -1 1 380.422 3.501 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nccs1 ZINC000809818703 887873312 /nfs/dbraw/zinc/87/33/12/887873312.db2.gz OWPUGZPHJWVNFI-VIFPVBQESA-N -1 1 396.277 3.788 20 5 GHBDMM COC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001132004976 888035670 /nfs/dbraw/zinc/03/56/70/888035670.db2.gz CRYMBZWVFRRFGA-UHFFFAOYSA-N -1 1 390.343 3.599 20 5 GHBDMM COc1cccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c1[N+](=O)[O-] ZINC000194267284 888165657 /nfs/dbraw/zinc/16/56/57/888165657.db2.gz IRUZVOATGNPVRI-UHFFFAOYSA-N -1 1 376.419 3.744 20 5 GHBDMM CSCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796183855 913568414 /nfs/dbraw/zinc/56/84/14/913568414.db2.gz SVZUIEMDTYVUJE-UHFFFAOYSA-N -1 1 386.882 3.590 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000814212855 892398133 /nfs/dbraw/zinc/39/81/33/892398133.db2.gz MGORKEJEISWRRD-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000918191186 893334625 /nfs/dbraw/zinc/33/46/25/893334625.db2.gz MXSKKTJWFSKSJZ-OAHLLOKOSA-N -1 1 384.816 3.817 20 5 GHBDMM CSCCCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031809 893385784 /nfs/dbraw/zinc/38/57/84/893385784.db2.gz FWQJLPNOINYZPZ-UHFFFAOYSA-N -1 1 384.882 3.589 20 5 GHBDMM CC(C)(F)c1cc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])no1 ZINC001135195130 894196849 /nfs/dbraw/zinc/19/68/49/894196849.db2.gz HQUYEPQAIYNNJW-UHFFFAOYSA-N -1 1 391.277 3.981 20 5 GHBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760338242 895224900 /nfs/dbraw/zinc/22/49/00/895224900.db2.gz QGLZSBURAHYBPX-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CCCCc1nnc([N-]C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)s1 ZINC000822686584 898561142 /nfs/dbraw/zinc/56/11/42/898561142.db2.gz SRQLZRRIOWXNFH-UHFFFAOYSA-N -1 1 397.844 3.653 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)cc1F ZINC001186057359 914288280 /nfs/dbraw/zinc/28/82/80/914288280.db2.gz LLPKKJPZXRSAQB-UHFFFAOYSA-N -1 1 393.223 3.828 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C)o1 ZINC000135409601 900237184 /nfs/dbraw/zinc/23/71/84/900237184.db2.gz UGQWJYLSYYVIRH-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM Cc1cccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1[N+](=O)[O-] ZINC000068435866 901089019 /nfs/dbraw/zinc/08/90/19/901089019.db2.gz FISPTQNOZAJQIE-UHFFFAOYSA-N -1 1 389.481 3.758 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]c1-c1ccccc1 ZINC000773383540 906525108 /nfs/dbraw/zinc/52/51/08/906525108.db2.gz PKIHYRXJRUAGCA-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)no1 ZINC001212893124 911370797 /nfs/dbraw/zinc/37/07/97/911370797.db2.gz NHXKJVCSCNPOMV-UHFFFAOYSA-N -1 1 375.650 3.587 20 5 GHBDMM O=C([O-])CC[C@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000901997519 921799780 /nfs/dbraw/zinc/79/97/80/921799780.db2.gz QPOHALQOPWRSRG-OAHLLOKOSA-N -1 1 375.450 3.938 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3C)C2)cc1F ZINC001189794245 916929204 /nfs/dbraw/zinc/92/92/04/916929204.db2.gz ODKDCEKQFJQXFD-HDJSIYSDSA-N -1 1 378.425 3.575 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC001189970821 917001720 /nfs/dbraw/zinc/00/17/20/917001720.db2.gz GWYOHFUKADBEFK-CQSZACIVSA-N -1 1 384.816 3.743 20 5 GHBDMM Cc1cc([N-]c2ncc([N+](=O)[O-])c(C)c2Br)nn1[C@@H](C)C1CC1 ZINC000544448065 929195555 /nfs/dbraw/zinc/19/55/55/929195555.db2.gz LMFBPAAJRTYEMD-JTQLQIEISA-N -1 1 380.246 3.702 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000545201812 1015647917 /nfs/dbraw/zinc/64/79/17/1015647917.db2.gz CQUKOUXKMHIIEU-NSHDSACASA-N -1 1 391.836 3.836 20 5 GHBDMM CN1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001598585978 993383709 /nfs/dbraw/zinc/38/37/09/993383709.db2.gz MXRXVZSVYBQBCO-ZJCUGOFCSA-N -1 1 385.395 3.689 20 5 GHBDMM C[C@](NCc1ccc(F)c(Br)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593299759 994723828 /nfs/dbraw/zinc/72/38/28/994723828.db2.gz VKFJKVJFGFSPPN-MRXNPFEDSA-N -1 1 397.200 3.586 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599462359 998295803 /nfs/dbraw/zinc/29/58/03/998295803.db2.gz ONJWCYYUZVMYQI-HNNXBMFYSA-N -1 1 384.310 3.538 20 5 GHBDMM O=c1c2cc(OC[C@@H]3CC[C@]4(CCCCO4)O3)c([O-])cc2oc2cccc(O)c12 ZINC001227309165 1032366611 /nfs/dbraw/zinc/36/66/11/1032366611.db2.gz IDBRLEKCMCCYMJ-XMHCIUCPSA-N -1 1 398.411 3.812 20 5 GHBDMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000778058929 1018103091 /nfs/dbraw/zinc/10/30/91/1018103091.db2.gz QBLRDTDBTPSFFN-DZGCQCFKSA-N -1 1 390.889 3.510 20 5 GHBDMM CCCCOC[C@H](C)OC[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860322 1033145320 /nfs/dbraw/zinc/14/53/20/1033145320.db2.gz TXFUOJZPEKPPNC-WDEREUQCSA-N -1 1 396.362 3.703 20 5 GHBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000756351951 1023602095 /nfs/dbraw/zinc/60/20/95/1023602095.db2.gz UWLJMLLMOGIZFJ-HNNXBMFYSA-N -1 1 384.310 3.538 20 5 GHBDMM O=C([N-]CCNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(F)(F)F ZINC001164246233 1026463230 /nfs/dbraw/zinc/46/32/30/1026463230.db2.gz VAGGEFXODZKDCP-UHFFFAOYSA-N -1 1 385.367 3.836 20 5 GHBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001209948048 1027290788 /nfs/dbraw/zinc/29/07/88/1027290788.db2.gz VLHITCXXGUPPOZ-UHFFFAOYSA-N -1 1 399.296 3.511 20 5 GHBDMM COC(=O)c1ncc(Cc2ccc(F)cc2)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394775 1027488245 /nfs/dbraw/zinc/48/82/45/1027488245.db2.gz GOWQJCHHGXHORY-UHFFFAOYSA-N -1 1 397.362 3.956 20 5 GHBDMM CCOC(=O)c1nc(Cl)nc(Cl)c1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210952838 1027717176 /nfs/dbraw/zinc/71/71/76/1027717176.db2.gz SCCMZSTZHXUCFB-UHFFFAOYSA-N -1 1 375.143 3.751 20 5 GHBDMM COc1cccc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCC2)c1 ZINC001213213162 1028048086 /nfs/dbraw/zinc/04/80/86/1028048086.db2.gz BDFAJVJTDNJPEF-UHFFFAOYSA-N -1 1 396.852 3.615 20 5 GHBDMM Cc1cc([O-])c(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001229754152 1033688394 /nfs/dbraw/zinc/68/83/94/1033688394.db2.gz NWDKOINYCZBQSP-UHFFFAOYSA-N -1 1 391.355 3.704 20 5 GHBDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229801674 1033725903 /nfs/dbraw/zinc/72/59/03/1033725903.db2.gz GROXGKWTVSSYMZ-NSHDSACASA-N -1 1 386.400 3.857 20 5 GHBDMM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC001208430749 1034893539 /nfs/dbraw/zinc/89/35/39/1034893539.db2.gz AYXMQSLVXZJXCG-WPRPVWTQSA-N -1 1 388.804 3.582 20 5 GHBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1OCc1ccccc1 ZINC001161102656 1035142446 /nfs/dbraw/zinc/14/24/46/1035142446.db2.gz AHOWJFLAJSEGAF-AWEZNQCLSA-N -1 1 393.399 3.765 20 5 GHBDMM C[C@@H]1[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507666 1039398226 /nfs/dbraw/zinc/39/82/26/1039398226.db2.gz ZVPZSMAENTVWLA-OQPBUACISA-N -1 1 382.804 3.511 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)c12 ZINC001234741668 1040268700 /nfs/dbraw/zinc/26/87/00/1040268700.db2.gz KQDIVSJWGPIOOO-RCDICMHDSA-N -1 1 398.411 3.812 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@@H]3COc4ccccc4O3)c12 ZINC001234744027 1040270775 /nfs/dbraw/zinc/27/07/75/1040270775.db2.gz JBDKPPHTCFVHQT-AWEZNQCLSA-N -1 1 392.363 3.576 20 5 GHBDMM O=c1c2ccc(O)c(OC3Cc4ccccc4C3)c2oc2cc([O-])cc(O)c12 ZINC001234753457 1040281875 /nfs/dbraw/zinc/28/18/75/1040281875.db2.gz OJCSSJPPPKQRKW-UHFFFAOYSA-N -1 1 376.364 3.609 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H]4CCc5cccnc54)cc3c(=O)c12 ZINC001234800437 1040332357 /nfs/dbraw/zinc/33/23/57/1040332357.db2.gz HRVUURAMUQPZSO-OAHLLOKOSA-N -1 1 391.379 3.827 20 5 GHBDMM COc1ccccc1OC[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878397 1040393348 /nfs/dbraw/zinc/39/33/48/1040393348.db2.gz USHHZGIRMAVTQI-JTQLQIEISA-N -1 1 398.209 3.918 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC001462841469 1070588855 /nfs/dbraw/zinc/58/88/55/1070588855.db2.gz JJKCDPYLTSQUQF-UHFFFAOYSA-N -1 1 399.252 3.623 20 5 GHBDMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001462987977 1070711115 /nfs/dbraw/zinc/71/11/15/1070711115.db2.gz DOINLWBAOVKATK-UHFFFAOYSA-N -1 1 380.441 3.607 20 5 GHBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC001264782045 1047442241 /nfs/dbraw/zinc/44/22/41/1047442241.db2.gz ZNHPBGMVTIKOGI-UHFFFAOYSA-N -1 1 375.747 3.733 20 5 GHBDMM O=C(NCCc1c(F)cc([O-])cc1F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001304012732 1047561781 /nfs/dbraw/zinc/56/17/81/1047561781.db2.gz SFSDZSBFSWRGNS-UHFFFAOYSA-N -1 1 391.157 3.858 20 5 GHBDMM Cc1cc(N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001307146179 1049102820 /nfs/dbraw/zinc/10/28/20/1049102820.db2.gz WSJRDOHBRZDBNO-CQSZACIVSA-N -1 1 379.338 3.645 20 5 GHBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001309344850 1050616094 /nfs/dbraw/zinc/61/60/94/1050616094.db2.gz VHYWJEJNXBUNMI-VIFPVBQESA-N -1 1 390.248 3.645 20 5 GHBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC2 ZINC001309545183 1050799220 /nfs/dbraw/zinc/79/92/20/1050799220.db2.gz KRBBKJLIPQIINR-OAHLLOKOSA-N -1 1 380.853 3.913 20 5 GHBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c([O-])c1 ZINC001321013141 1056055914 /nfs/dbraw/zinc/05/59/14/1056055914.db2.gz AKQIGLPVSCNAGQ-UHFFFAOYSA-N -1 1 394.225 3.894 20 5 GHBDMM CC(C)c1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC001447936562 1060064566 /nfs/dbraw/zinc/06/45/66/1060064566.db2.gz XDTMJJUANDZIJO-UHFFFAOYSA-N -1 1 380.198 3.834 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)cc1F ZINC001463475268 1064387303 /nfs/dbraw/zinc/38/73/03/1064387303.db2.gz WBYANUWHGMNRRU-UHFFFAOYSA-N -1 1 398.843 3.706 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)cc1F ZINC001464181797 1064892516 /nfs/dbraw/zinc/89/25/16/1064892516.db2.gz YCBVCJMVSSSVRG-CQSZACIVSA-N -1 1 384.816 3.662 20 5 GHBDMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001472194322 1073365470 /nfs/dbraw/zinc/36/54/70/1073365470.db2.gz KVUWWSLOQACMDX-UHFFFAOYSA-N -1 1 390.758 3.590 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)cc1F ZINC001475198997 1074781261 /nfs/dbraw/zinc/78/12/61/1074781261.db2.gz VPSQLLPTLBSLRG-NSHDSACASA-N -1 1 378.381 3.828 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)cc1Cl ZINC001475229023 1074795750 /nfs/dbraw/zinc/79/57/50/1074795750.db2.gz BTJIQICDLYGTCG-UHFFFAOYSA-N -1 1 398.843 3.859 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc2C1 ZINC001475746948 1075013195 /nfs/dbraw/zinc/01/31/95/1075013195.db2.gz KBXVDXMVNAGKRR-CYBMUJFWSA-N -1 1 398.843 3.613 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000030529800 207372604 /nfs/dbraw/zinc/37/26/04/207372604.db2.gz ZIMDAYKFYFGBFP-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM O=[N+]([O-])c1cccnc1NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738370246 598854874 /nfs/dbraw/zinc/85/48/74/598854874.db2.gz SFPFUYSPJHQTGB-UHFFFAOYSA-N -1 1 379.405 3.511 20 5 GHBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833300836 600691266 /nfs/dbraw/zinc/69/12/66/600691266.db2.gz OBHKUGUNGDESMZ-UHFFFAOYSA-N -1 1 398.396 3.761 20 5 GHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000471132200 834861556 /nfs/dbraw/zinc/86/15/56/834861556.db2.gz VKNFPDTYEWCHNO-UHFFFAOYSA-N -1 1 398.396 3.761 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000135510147 835748512 /nfs/dbraw/zinc/74/85/12/835748512.db2.gz QKZPVSJITBNSOW-UHFFFAOYSA-N -1 1 382.348 3.518 20 5 GHBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000612599688 836471618 /nfs/dbraw/zinc/47/16/18/836471618.db2.gz SVUWHVXBLJGBOQ-UHFFFAOYSA-N -1 1 391.449 3.588 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000174757384 836550423 /nfs/dbraw/zinc/55/04/23/836550423.db2.gz NEDFLWIAQWXYIW-UHFFFAOYSA-N -1 1 390.339 3.509 20 5 GHBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060443622 841234819 /nfs/dbraw/zinc/23/48/19/841234819.db2.gz KULPEOOTROTPQW-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000127218004 841910719 /nfs/dbraw/zinc/91/07/19/841910719.db2.gz PIQZAZXVQSSMEV-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000730767378 861266134 /nfs/dbraw/zinc/26/61/34/861266134.db2.gz QPSBRQBYUOZELF-UHFFFAOYSA-N -1 1 395.868 3.958 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1Cl ZINC000006315659 842453023 /nfs/dbraw/zinc/45/30/23/842453023.db2.gz ULSQEWWUNXRXEX-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000610663106 843439767 /nfs/dbraw/zinc/43/97/67/843439767.db2.gz GGDWPAKCFBVYJO-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000071874203 845654373 /nfs/dbraw/zinc/65/43/73/845654373.db2.gz VQSUYSZCWSXWJL-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CS1 ZINC000413512586 847627041 /nfs/dbraw/zinc/62/70/41/847627041.db2.gz HXVBQXUMALFHLW-TZMCWYRMSA-N -1 1 393.490 3.702 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1[N+](=O)[O-] ZINC000488229413 851293617 /nfs/dbraw/zinc/29/36/17/851293617.db2.gz IZKCPHOUULVVKX-UHFFFAOYSA-N -1 1 386.426 3.574 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(Cl)c1 ZINC000481873309 862457384 /nfs/dbraw/zinc/45/73/84/862457384.db2.gz VVGJUWGEJMKHSP-UHFFFAOYSA-N -1 1 389.216 3.637 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000481969091 862563077 /nfs/dbraw/zinc/56/30/77/862563077.db2.gz NASBIVNVRTZCGL-UHFFFAOYSA-N -1 1 380.397 3.774 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000481982755 862576923 /nfs/dbraw/zinc/57/69/23/862576923.db2.gz QOVBKMNQGIQJCK-UHFFFAOYSA-N -1 1 378.450 3.937 20 5 GHBDMM CC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1C(F)(F)F ZINC000499607576 857723914 /nfs/dbraw/zinc/72/39/14/857723914.db2.gz QVEZACBRMUBDDH-UHFFFAOYSA-N -1 1 381.270 3.617 20 5 GHBDMM CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000765356817 859925102 /nfs/dbraw/zinc/92/51/02/859925102.db2.gz QFIUMYHOUCQTLA-UHFFFAOYSA-N -1 1 397.185 3.506 20 5 GHBDMM O=C(Nc1c(O)cc(Br)cc1Cl)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000552195779 860009641 /nfs/dbraw/zinc/00/96/41/860009641.db2.gz KGSUTSWVDCZYSH-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000126439175 861043662 /nfs/dbraw/zinc/04/36/62/861043662.db2.gz NSMAPMDFUYXWDA-BDAKNGLRSA-N -1 1 386.779 3.648 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000126438554 861043924 /nfs/dbraw/zinc/04/39/24/861043924.db2.gz NSMAPMDFUYXWDA-DTWKUNHWSA-N -1 1 386.779 3.648 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000534206052 866269897 /nfs/dbraw/zinc/26/98/97/866269897.db2.gz FFIFYQNLXLFKPK-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479143597 867233743 /nfs/dbraw/zinc/23/37/43/867233743.db2.gz VATYKKDUICBNHA-LBPRGKRZSA-N -1 1 386.779 3.566 20 5 GHBDMM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)cs1 ZINC000444853468 867339034 /nfs/dbraw/zinc/33/90/34/867339034.db2.gz FFXQNWHFBBMNTJ-SNVBAGLBSA-N -1 1 384.417 3.618 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1C ZINC000534942974 867805104 /nfs/dbraw/zinc/80/51/04/867805104.db2.gz BRAPMOLSQYQGAQ-UHFFFAOYSA-N -1 1 397.456 3.998 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445459386 868495992 /nfs/dbraw/zinc/49/59/92/868495992.db2.gz AFXNUXYOOOCPKK-UHFFFAOYSA-N -1 1 380.129 3.919 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482755 868508506 /nfs/dbraw/zinc/50/85/06/868508506.db2.gz QCTMFTRLMJBHLQ-UHFFFAOYSA-N -1 1 379.731 3.764 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000446764729 870318739 /nfs/dbraw/zinc/31/87/39/870318739.db2.gz KRPJXERXKQFXPC-UHFFFAOYSA-N -1 1 385.239 3.608 20 5 GHBDMM COc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000443298159 870761490 /nfs/dbraw/zinc/76/14/90/870761490.db2.gz TXRNAFVYCLGBHS-KRWDZBQOSA-N -1 1 394.836 3.850 20 5 GHBDMM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000301267074 873108801 /nfs/dbraw/zinc/10/88/01/873108801.db2.gz WMIZVWFELGMDMH-VIFPVBQESA-N -1 1 398.297 3.961 20 5 GHBDMM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)c1ccc2nccnc2c1 ZINC001198154185 874249736 /nfs/dbraw/zinc/24/97/36/874249736.db2.gz QRZGUGKEBRJDRI-UHFFFAOYSA-N -1 1 387.424 3.527 20 5 GHBDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000921295583 882818157 /nfs/dbraw/zinc/81/81/57/882818157.db2.gz OGQBAUDMLXZENR-UHFFFAOYSA-N -1 1 393.421 3.526 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(C(F)F)c3)[nH]n2)c1 ZINC000780395965 875059272 /nfs/dbraw/zinc/05/92/72/875059272.db2.gz UKJWBMXGRHTXTG-UHFFFAOYSA-N -1 1 394.359 3.723 20 5 GHBDMM CC(C)(COc1ncccc1C(F)(F)F)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000549932399 875934798 /nfs/dbraw/zinc/93/47/98/875934798.db2.gz QBDIRBKHEIBDEF-UHFFFAOYSA-N -1 1 385.342 3.661 20 5 GHBDMM CCOc1ccc(CCC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000186822103 876304645 /nfs/dbraw/zinc/30/46/45/876304645.db2.gz JYDRHLRTTRMAFU-UHFFFAOYSA-N -1 1 399.447 3.579 20 5 GHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C(C)C ZINC000788478531 878090837 /nfs/dbraw/zinc/09/08/37/878090837.db2.gz PUCVFLCZGIIMQJ-UHFFFAOYSA-N -1 1 382.413 3.975 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424964 878488451 /nfs/dbraw/zinc/48/84/51/878488451.db2.gz LTVUWWXLEBWCFL-UHFFFAOYSA-N -1 1 387.465 3.512 20 5 GHBDMM O=c1cc(C(F)(F)F)nc(SCCCOc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000609480998 883245967 /nfs/dbraw/zinc/24/59/67/883245967.db2.gz OPJLGHIJRCROMM-UHFFFAOYSA-N -1 1 375.328 3.670 20 5 GHBDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)s2)c1 ZINC000609648181 883482456 /nfs/dbraw/zinc/48/24/56/883482456.db2.gz KCLXRCWHEVOKBZ-UHFFFAOYSA-N -1 1 398.400 3.711 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1[N+](=O)[O-] ZINC000475832285 884816976 /nfs/dbraw/zinc/81/69/76/884816976.db2.gz MDFMBZZLOKISSY-UHFFFAOYSA-N -1 1 399.428 3.775 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(F)c2)c1Cl ZINC000809388784 887363640 /nfs/dbraw/zinc/36/36/40/887363640.db2.gz DMGHOFVGRMLSST-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC000809390405 887367334 /nfs/dbraw/zinc/36/73/34/887367334.db2.gz RRCSFUUPBUWJLH-UHFFFAOYSA-N -1 1 375.233 3.689 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c(Cl)cc1Cl ZINC000809830827 887850910 /nfs/dbraw/zinc/85/09/10/887850910.db2.gz GCEZOXGSVPWOJL-JTQLQIEISA-N -1 1 397.280 3.529 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CSc3ccccc32)cc1Cl ZINC000809817968 887873006 /nfs/dbraw/zinc/87/30/06/887873006.db2.gz VKMOVCVKIXQNMH-NSHDSACASA-N -1 1 388.829 3.513 20 5 GHBDMM O=C([N-]c1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC001131988231 888037863 /nfs/dbraw/zinc/03/78/63/888037863.db2.gz IBIPTROYJKBFNJ-UHFFFAOYSA-N -1 1 395.322 3.779 20 5 GHBDMM COc1cccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1[N+](=O)[O-] ZINC000194294811 888199070 /nfs/dbraw/zinc/19/90/70/888199070.db2.gz IBIZZJSJIFWDLL-UHFFFAOYSA-N -1 1 376.438 3.830 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001212042739 891395893 /nfs/dbraw/zinc/39/58/93/891395893.db2.gz SZESCYNDINDNTJ-UHFFFAOYSA-N -1 1 390.795 3.627 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCc2sc(Cl)cc21 ZINC000813753059 891926672 /nfs/dbraw/zinc/92/66/72/891926672.db2.gz RVJOQKLCOOVAJH-JTQLQIEISA-N -1 1 390.845 3.805 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000497599103 891978902 /nfs/dbraw/zinc/97/89/02/891978902.db2.gz XEQYRXGOBNEFNM-UHFFFAOYSA-N -1 1 393.273 3.931 20 5 GHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nc(NCc2ccco2)ncc1Cl ZINC000917608758 892309746 /nfs/dbraw/zinc/30/97/46/892309746.db2.gz HGFDMXYPCCMBST-UHFFFAOYSA-N -1 1 391.746 3.635 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000918192063 893336305 /nfs/dbraw/zinc/33/63/05/893336305.db2.gz ZIUGWGXHCFEIKM-SECBINFHSA-N -1 1 392.330 3.792 20 5 GHBDMM Cc1cc2cc(C[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2[nH]1 ZINC000796242745 913871865 /nfs/dbraw/zinc/87/18/65/913871865.db2.gz NDBUHRXFUPZEHE-UHFFFAOYSA-N -1 1 379.825 3.516 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000760337172 895220665 /nfs/dbraw/zinc/22/06/65/895220665.db2.gz KQPYZXPRDNIRHR-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]n1 ZINC000818047128 896034047 /nfs/dbraw/zinc/03/40/47/896034047.db2.gz AJUVFDNVJDOOKN-UHFFFAOYSA-N -1 1 393.252 3.723 20 5 GHBDMM CC(C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000569656100 898855105 /nfs/dbraw/zinc/85/51/05/898855105.db2.gz HBLNFSYUHMGOHA-UHFFFAOYSA-N -1 1 386.813 3.542 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000576649509 902159609 /nfs/dbraw/zinc/15/96/09/902159609.db2.gz AQIWLHNOUQZXLU-UHFFFAOYSA-N -1 1 384.432 3.756 20 5 GHBDMM Cc1cc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000600678070 902815270 /nfs/dbraw/zinc/81/52/70/902815270.db2.gz KMYAUWSOYBUOMH-UHFFFAOYSA-N -1 1 398.444 3.990 20 5 GHBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(Br)ccc1[O-])CC2 ZINC000773993312 911241853 /nfs/dbraw/zinc/24/18/53/911241853.db2.gz ZDBRCLPPKWYQIN-UHFFFAOYSA-N -1 1 377.194 3.574 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(Cl)c(Br)c2)no1 ZINC001212893167 911371314 /nfs/dbraw/zinc/37/13/14/911371314.db2.gz PFHMHSDCJRFGST-UHFFFAOYSA-N -1 1 388.540 3.590 20 5 GHBDMM CCN(CC)c1ccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)cc1 ZINC001212973144 916166024 /nfs/dbraw/zinc/16/60/24/916166024.db2.gz SHCKERFFGWLNSH-UHFFFAOYSA-N -1 1 396.329 3.900 20 5 GHBDMM COc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000410417699 925637890 /nfs/dbraw/zinc/63/78/90/925637890.db2.gz IQXWLWPNXMRORF-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccco1)c1ccccc1 ZINC000725818756 926456308 /nfs/dbraw/zinc/45/63/08/926456308.db2.gz ADPMOIPOPLQUMP-KRWDZBQOSA-N -1 1 392.820 3.909 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4cc(Br)ccc34)no2)[n-]1 ZINC000547249143 930842644 /nfs/dbraw/zinc/84/26/44/930842644.db2.gz KRUWUICMAUZMBJ-UHFFFAOYSA-N -1 1 388.181 3.808 20 5 GHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Br ZINC000782262971 931145776 /nfs/dbraw/zinc/14/57/76/931145776.db2.gz DSBNZYPSCFSKCA-UHFFFAOYSA-N -1 1 397.250 3.647 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)ccc1Cl ZINC000830009263 935889931 /nfs/dbraw/zinc/88/99/31/935889931.db2.gz VVOYLHVRRHMMCD-LBPRGKRZSA-N -1 1 382.825 3.553 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1OC ZINC001589458864 954855286 /nfs/dbraw/zinc/85/52/86/954855286.db2.gz OAJSNVKTBWVOBE-OFQRWUPVSA-N -1 1 394.468 3.571 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227309401 1032366871 /nfs/dbraw/zinc/36/68/71/1032366871.db2.gz KTMZTEJJEIWKRV-STQMWFEESA-N -1 1 398.411 3.858 20 5 GHBDMM 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RFWRDMGSFJDVFS-UHFFFAOYSA-N -1 1 376.344 3.568 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(C)C)cc1F ZINC001211570160 849336244 /nfs/dbraw/zinc/33/62/44/849336244.db2.gz RGYLJYIAEVQUMO-INIZCTEOSA-N -1 1 394.468 3.836 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504039025 849850108 /nfs/dbraw/zinc/85/01/08/849850108.db2.gz AIALNWBIIBCCSY-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435429880 850512556 /nfs/dbraw/zinc/51/25/56/850512556.db2.gz WGFZVWGNOPGVHP-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000519059279 850554475 /nfs/dbraw/zinc/55/44/75/850554475.db2.gz WAUQJMYYSUSPHO-UHFFFAOYSA-N -1 1 384.413 3.975 20 5 GHBDMM CC(C)c1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000515593799 851221675 /nfs/dbraw/zinc/22/16/75/851221675.db2.gz UQWLXMUDVZNPJG-UHFFFAOYSA-N -1 1 385.420 3.502 20 5 GHBDMM 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000056127830 854376446 /nfs/dbraw/zinc/37/64/46/854376446.db2.gz DBYZJMQKGPUPPD-CYBMUJFWSA-N -1 1 392.330 3.706 20 5 GHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc1SC ZINC000273188232 855071011 /nfs/dbraw/zinc/07/10/11/855071011.db2.gz LEKBFMDQFODPBE-UHFFFAOYSA-N -1 1 391.453 3.674 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000563709806 855220217 /nfs/dbraw/zinc/22/02/17/855220217.db2.gz QAUFCWPXDCHAMC-UHFFFAOYSA-N -1 1 379.775 3.540 20 5 GHBDMM O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485373916 856422099 /nfs/dbraw/zinc/42/20/99/856422099.db2.gz GESDWPQCDQINSJ-KRWDZBQOSA-N -1 1 383.791 3.868 20 5 GHBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([O-])c1 ZINC000485386982 856428201 /nfs/dbraw/zinc/42/82/01/856428201.db2.gz UNOHQWXJISOVHD-UHFFFAOYSA-N -1 1 393.237 3.816 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc([N+](=O)[O-])c1F ZINC000132352119 858292673 /nfs/dbraw/zinc/29/26/73/858292673.db2.gz ZRUHEDFFFPMBOR-UHFFFAOYSA-N -1 1 392.412 3.774 20 5 GHBDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000509395428 859305685 /nfs/dbraw/zinc/30/56/85/859305685.db2.gz AZOSEZGBWBKJPS-UHFFFAOYSA-N -1 1 397.456 3.998 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC[C@@H]1CC1(F)F ZINC000598638525 860466508 /nfs/dbraw/zinc/46/65/08/860466508.db2.gz MVYWHFBVRISUJY-GFCCVEGCSA-N -1 1 397.403 3.853 20 5 GHBDMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC000026562462 860525907 /nfs/dbraw/zinc/52/59/07/860525907.db2.gz JQHWQGDMZPJVTO-UHFFFAOYSA-N -1 1 379.398 3.819 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C)c1-c1ccccc1 ZINC000534682279 867241174 /nfs/dbraw/zinc/24/11/74/867241174.db2.gz MNPQIGHQQTXDHI-UHFFFAOYSA-N -1 1 386.433 3.657 20 5 GHBDMM C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444981031 867575459 /nfs/dbraw/zinc/57/54/59/867575459.db2.gz DMGYSOOJXMNGDA-IINYFYTJSA-N -1 1 395.337 3.938 20 5 GHBDMM CCOc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc(Cl)c1[O-] ZINC000445421361 868394968 /nfs/dbraw/zinc/39/49/68/868394968.db2.gz GNMSYRBGFNWZKB-UHFFFAOYSA-N -1 1 391.767 3.982 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000479843955 868618906 /nfs/dbraw/zinc/61/89/06/868618906.db2.gz XKWVAZBWPNIMJT-UHFFFAOYSA-N -1 1 377.400 3.868 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000745567833 869650537 /nfs/dbraw/zinc/65/05/37/869650537.db2.gz FPQUDPQAXDDGAR-UHFFFAOYSA-N -1 1 397.305 3.921 20 5 GHBDMM CC1CCN([C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c2cccs2)CC1 ZINC000538834928 870713766 /nfs/dbraw/zinc/71/37/66/870713766.db2.gz GTTOAQGQUHAGEO-HNNXBMFYSA-N -1 1 389.477 3.565 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(Cl)cc21 ZINC001193179999 870956172 /nfs/dbraw/zinc/95/61/72/870956172.db2.gz HPTCRANQUCGZRN-CQSZACIVSA-N -1 1 384.816 3.743 20 5 GHBDMM O=C([O-])/C=C\c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920959646 882474199 /nfs/dbraw/zinc/47/41/99/882474199.db2.gz GSXKLZKBCDHILP-CNRGFGOASA-N -1 1 385.420 3.925 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(F)c2)s1 ZINC000447162485 871120936 /nfs/dbraw/zinc/12/09/36/871120936.db2.gz IZDDREPNYUIHNV-KRWDZBQOSA-N -1 1 392.433 3.863 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CCc1ccccc1)c1ccccc1 ZINC000525699963 871230568 /nfs/dbraw/zinc/23/05/68/871230568.db2.gz YZDMYSIGGITBNQ-GOSISDBHSA-N -1 1 397.456 3.642 20 5 GHBDMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103421088 871923927 /nfs/dbraw/zinc/92/39/27/871923927.db2.gz VQOOFGIXHUANAD-UHFFFAOYSA-N -1 1 391.409 3.730 20 5 GHBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCCC1 ZINC001194925625 872034449 /nfs/dbraw/zinc/03/44/49/872034449.db2.gz NEGJHDSGKNVXAI-UHFFFAOYSA-N -1 1 396.893 3.732 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc([N+](=O)[O-])c1F ZINC000768271686 873202019 /nfs/dbraw/zinc/20/20/19/873202019.db2.gz GIOMKWSVLNHOJZ-UHFFFAOYSA-N -1 1 380.397 3.632 20 5 GHBDMM O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000464141361 873306619 /nfs/dbraw/zinc/30/66/19/873306619.db2.gz JEXNIFANHBETLC-UHFFFAOYSA-N -1 1 378.104 3.957 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2C)o1 ZINC000541784742 874257058 /nfs/dbraw/zinc/25/70/58/874257058.db2.gz HRRDQHXZWUIMRL-UHFFFAOYSA-N -1 1 390.421 3.612 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000541799830 874295420 /nfs/dbraw/zinc/29/54/20/874295420.db2.gz OJADNFUVOHELPO-UHFFFAOYSA-N -1 1 388.449 3.943 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000541806768 874324616 /nfs/dbraw/zinc/32/46/16/874324616.db2.gz SFYCJWITLKHNAK-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000030530132 876202717 /nfs/dbraw/zinc/20/27/17/876202717.db2.gz NSHMMKIFALDDRT-UHFFFAOYSA-N -1 1 390.417 3.746 20 5 GHBDMM CC(F)(F)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000450564793 876621611 /nfs/dbraw/zinc/62/16/11/876621611.db2.gz YXGHYIPLSWDZIJ-UHFFFAOYSA-N -1 1 385.392 3.853 20 5 GHBDMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000786888263 877041660 /nfs/dbraw/zinc/04/16/60/877041660.db2.gz VOIJXJRZTUONOE-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000551477790 877288048 /nfs/dbraw/zinc/28/80/48/877288048.db2.gz TVGOJUJHDOHUAV-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788215846 877922175 /nfs/dbraw/zinc/92/21/75/877922175.db2.gz AZGPSEPTHZPFET-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM Nc1ccc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000808112527 886022162 /nfs/dbraw/zinc/02/21/62/886022162.db2.gz DUWJFPDCDFFFTR-UHFFFAOYSA-N -1 1 386.589 3.551 20 5 GHBDMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000747595202 888210191 /nfs/dbraw/zinc/21/01/91/888210191.db2.gz KCASEVRMGRRERX-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000918193850 893338264 /nfs/dbraw/zinc/33/82/64/893338264.db2.gz OPLIOTDGACFIEH-QGZVFWFLSA-N -1 1 378.425 3.944 20 5 GHBDMM CC(C)c1ccc(CN2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000563213277 893486004 /nfs/dbraw/zinc/48/60/04/893486004.db2.gz CPDGSVCYVIUMFW-UHFFFAOYSA-N -1 1 383.448 3.739 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000815405248 893811953 /nfs/dbraw/zinc/81/19/53/893811953.db2.gz ORKVEZWLBWYOBP-UHFFFAOYSA-N -1 1 377.780 3.864 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1-c1ccccc1 ZINC000563495835 893825409 /nfs/dbraw/zinc/82/54/09/893825409.db2.gz FRBVHUTXFGKTOR-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC000564144798 894645971 /nfs/dbraw/zinc/64/59/71/894645971.db2.gz PAEGLZDAARJQHA-UHFFFAOYSA-N -1 1 392.767 3.995 20 5 GHBDMM CC(C)Cc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000175511803 905584661 /nfs/dbraw/zinc/58/46/61/905584661.db2.gz OZXTXIAXPWEBNT-UHFFFAOYSA-N -1 1 385.243 3.660 20 5 GHBDMM C[C@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001177749908 908736403 /nfs/dbraw/zinc/73/64/03/908736403.db2.gz MXIPHKZTLTYMBD-LBPRGKRZSA-N -1 1 380.356 3.864 20 5 GHBDMM CN(Cc1ccccc1[N+](=O)[O-])Cn1c(Cc2cccs2)n[n-]c1=S ZINC000195340094 908999047 /nfs/dbraw/zinc/99/90/47/908999047.db2.gz XFEAYQXSMFMDTD-UHFFFAOYSA-N -1 1 375.479 3.591 20 5 GHBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1F ZINC000795367106 910069182 /nfs/dbraw/zinc/06/91/82/910069182.db2.gz MRQCVKFCRIVPNR-UHFFFAOYSA-N -1 1 386.788 3.699 20 5 GHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1 ZINC000268940639 910076259 /nfs/dbraw/zinc/07/62/59/910076259.db2.gz GTTLGVWQXNACFL-UHFFFAOYSA-N -1 1 378.357 3.525 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC001187801354 915522096 /nfs/dbraw/zinc/52/20/96/915522096.db2.gz RCUGOOJPUZUAJV-GHMZBOCLSA-N -1 1 398.378 3.689 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1 ZINC001188515475 915998963 /nfs/dbraw/zinc/99/89/63/915998963.db2.gz DUVHDIXNDRMRCM-ZDUSSCGKSA-N -1 1 390.795 3.956 20 5 GHBDMM C[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001188606703 916053586 /nfs/dbraw/zinc/05/35/86/916053586.db2.gz AEFZMPYGIAPQCB-QGHHPUGFSA-N -1 1 398.843 3.989 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001190026565 917063285 /nfs/dbraw/zinc/06/32/85/917063285.db2.gz ZGDNADMUJIFIEF-CABCVRRESA-N -1 1 378.425 3.739 20 5 GHBDMM COc1cc([O-])c(C(=O)Nc2cc3cccnc3c3ncccc23)c(OC)c1 ZINC001190136553 917121150 /nfs/dbraw/zinc/12/11/50/917121150.db2.gz BJRXLJYDASRFIP-UHFFFAOYSA-N -1 1 375.384 3.758 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(C)ccc2Br)cc1[N+](=O)[O-] ZINC000119419418 919629553 /nfs/dbraw/zinc/62/95/53/919629553.db2.gz HQYAUFYLFXBSMJ-UHFFFAOYSA-N -1 1 391.268 3.836 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c([N+](=O)[O-])c1 ZINC000544641073 929379037 /nfs/dbraw/zinc/37/90/37/929379037.db2.gz ASRNXYODICDVMK-UHFFFAOYSA-N -1 1 392.767 3.995 20 5 GHBDMM COc1cccc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c1[N+](=O)[O-] ZINC000469884892 930234761 /nfs/dbraw/zinc/23/47/61/930234761.db2.gz QHJCHIBIXSAKFN-UHFFFAOYSA-N -1 1 388.380 3.822 20 5 GHBDMM Cc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000777592571 932137255 /nfs/dbraw/zinc/13/72/55/932137255.db2.gz ZVETWYSAVAMFFS-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCOC2CCCC2)c1Cl ZINC000830301949 935928624 /nfs/dbraw/zinc/92/86/24/935928624.db2.gz FDQXNMPNOHKZTJ-UHFFFAOYSA-N -1 1 397.280 3.529 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001228859077 1033140555 /nfs/dbraw/zinc/14/05/55/1033140555.db2.gz IKYSEGABIZUCAL-HAQNSBGRSA-N -1 1 384.310 3.841 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC[C@H]1CCC(c2ccccc2)=NO1 ZINC001228860205 1033143457 /nfs/dbraw/zinc/14/34/57/1033143457.db2.gz QZVXFQJUAMDSOP-LLVKDONJSA-N -1 1 397.309 3.676 20 5 GHBDMM O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(C(F)(F)F)c([O-])c1 ZINC001163355839 1026156439 /nfs/dbraw/zinc/15/64/39/1026156439.db2.gz XUNVBOIQDZUJLM-UHFFFAOYSA-N -1 1 376.237 3.527 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2cnc(Br)c(Br)c2)ccc1[O-] ZINC001210393641 1027485841 /nfs/dbraw/zinc/48/58/41/1027485841.db2.gz XDFMTWRYOQVLLL-UHFFFAOYSA-N -1 1 389.003 3.964 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2Cc2ccccc2)cc1F ZINC001213947963 1028468039 /nfs/dbraw/zinc/46/80/39/1028468039.db2.gz QJPYUADQTOFVQG-HZPDHXFCSA-N -1 1 392.452 3.590 20 5 GHBDMM Cc1ccccc1CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001142516512 1029019009 /nfs/dbraw/zinc/01/90/09/1029019009.db2.gz HRBJHIYZWOBRRC-UHFFFAOYSA-N -1 1 377.400 3.846 20 5 GHBDMM Cc1nc(O[C@@H](c2ccccc2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382944 1033451108 /nfs/dbraw/zinc/45/11/08/1033451108.db2.gz XUXOKQZHZFJCIP-JTQLQIEISA-N -1 1 378.599 3.889 20 5 GHBDMM O=C([N-]c1nc(-c2cccnc2Cl)ns1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001277396042 1033540394 /nfs/dbraw/zinc/54/03/94/1033540394.db2.gz PIZMSIQPVKHWNZ-UHFFFAOYSA-N -1 1 379.760 3.553 20 5 GHBDMM C[C@H](C(=O)Nc1cccc([O-])c1Br)c1ccc([N+](=O)[O-])cc1F ZINC001158825774 1034291557 /nfs/dbraw/zinc/29/15/57/1034291557.db2.gz VHPKJJFDTJQTSI-QMMMGPOBSA-N -1 1 383.173 3.944 20 5 GHBDMM C[C@@H]1[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507664 1039398720 /nfs/dbraw/zinc/39/87/20/1039398720.db2.gz ZVPZSMAENTVWLA-AMIZOPFISA-N -1 1 382.804 3.511 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742162 1040268023 /nfs/dbraw/zinc/26/80/23/1040268023.db2.gz NAMUMDVFAKRKSG-JSGCOSHPSA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2ccc(O)c(O[C@@H]3CCc4cccnc43)c2oc2cc([O-])cc(O)c12 ZINC001234750719 1040276576 /nfs/dbraw/zinc/27/65/76/1040276576.db2.gz NILJMKFVGFWIKV-OAHLLOKOSA-N -1 1 377.352 3.524 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)CC(C)(C)OC)cc([O-])cc3oc21 ZINC001234750445 1040277389 /nfs/dbraw/zinc/27/73/89/1040277389.db2.gz BHRCSGRTZJQUOM-LLVKDONJSA-N -1 1 388.416 3.948 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCC(F)(F)C4)cc([O-])cc3oc21 ZINC001234752532 1040282736 /nfs/dbraw/zinc/28/27/36/1040282736.db2.gz YPAJIMRTZISQMF-SNVBAGLBSA-N -1 1 378.327 3.933 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)Cc4ccco4)cc3c(=O)c12 ZINC001234800508 1040332287 /nfs/dbraw/zinc/33/22/87/1040332287.db2.gz INWVJVKFIZNEOZ-LLVKDONJSA-N -1 1 382.368 3.969 20 5 GHBDMM C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302522670 1046963306 /nfs/dbraw/zinc/96/33/06/1046963306.db2.gz YOIYIHBTPZXMOW-QGZVFWFLSA-N -1 1 395.337 3.866 20 5 GHBDMM CCc1ccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(C)C)cc1 ZINC001309017245 1050275162 /nfs/dbraw/zinc/27/51/62/1050275162.db2.gz MRWJMIVIFPRBTG-QGZVFWFLSA-N -1 1 380.441 3.972 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC001309471648 1050746426 /nfs/dbraw/zinc/74/64/26/1050746426.db2.gz WEGLWEWKCFVMHA-DZGCQCFKSA-N -1 1 396.415 3.796 20 5 GHBDMM CCc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC001309638935 1050887934 /nfs/dbraw/zinc/88/79/34/1050887934.db2.gz NVFWZZWKTHJYSI-UHFFFAOYSA-N -1 1 389.260 3.943 20 5 GHBDMM O=C(Nc1ccc(Br)c([O-])c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001345036603 1054864450 /nfs/dbraw/zinc/86/44/50/1054864450.db2.gz INLKNSAKVCOPEO-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM COc1c(Br)ccc(F)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001348438488 1063075492 /nfs/dbraw/zinc/07/54/92/1063075492.db2.gz GFLKHSAHNYHCLH-UHFFFAOYSA-N -1 1 387.136 3.896 20 5 GHBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001351618995 1064535141 /nfs/dbraw/zinc/53/51/41/1064535141.db2.gz BNBJWOODVDJYNE-UHFFFAOYSA-N -1 1 375.747 3.733 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC001463965282 1064742714 /nfs/dbraw/zinc/74/27/14/1064742714.db2.gz ZDCZNKJKLLGCQY-UHFFFAOYSA-N -1 1 384.816 3.745 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC001464091372 1064815106 /nfs/dbraw/zinc/81/51/06/1064815106.db2.gz LZMUPMLEKFRRDV-UTLUCORTSA-N -1 1 379.265 3.616 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)s1 ZINC001464133392 1064846741 /nfs/dbraw/zinc/84/67/41/1064846741.db2.gz DGORDJPYJXOFPU-UHFFFAOYSA-N -1 1 392.433 3.941 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001468552729 1067768097 /nfs/dbraw/zinc/76/80/97/1067768097.db2.gz XTTUVOJVJAGNAJ-UHFFFAOYSA-N -1 1 375.384 3.561 20 5 GHBDMM Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[n-]c(=O)c1C1CC1 ZINC001473070125 1073768983 /nfs/dbraw/zinc/76/89/83/1073768983.db2.gz IDLZAHSTPYYYSF-UHFFFAOYSA-N -1 1 394.840 3.660 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cc2ccccc2s1 ZINC001475333782 1074837820 /nfs/dbraw/zinc/83/78/20/1074837820.db2.gz UMFAPBWRARWFQX-UHFFFAOYSA-N -1 1 396.877 3.984 20 5 GHBDMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475437097 1074874476 /nfs/dbraw/zinc/87/44/76/1074874476.db2.gz KFEHQSWSFXGDRA-VIFPVBQESA-N -1 1 399.296 3.631 20 5 GHBDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000832916039 601369211 /nfs/dbraw/zinc/36/92/11/601369211.db2.gz KJPJQDJDRLKEJX-KBPBESRZSA-N -1 1 385.420 3.588 20 5 GHBDMM CC(C)c1ccc2c(c1)[C@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCC2 ZINC000824348097 608100271 /nfs/dbraw/zinc/10/02/71/608100271.db2.gz ZGLLUMARDHDALR-MRXNPFEDSA-N -1 1 379.424 3.783 20 5 GHBDMM CC(C)c1ccc2c(c1)[C@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCC2 ZINC000824348097 608100272 /nfs/dbraw/zinc/10/02/72/608100272.db2.gz ZGLLUMARDHDALR-MRXNPFEDSA-N -1 1 379.424 3.783 20 5 GHBDMM Cc1cc(NC[C@H](C)N2CCc3sccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581946156 837752799 /nfs/dbraw/zinc/75/27/99/837752799.db2.gz BGPRKVUVQQNFFL-LBPRGKRZSA-N -1 1 375.450 3.522 20 5 GHBDMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2O1 ZINC000430374576 836857868 /nfs/dbraw/zinc/85/78/68/836857868.db2.gz XHHLSNWSVPQHJZ-UHFFFAOYSA-N -1 1 396.852 3.904 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCC(F)(F)C1 ZINC000610785961 844212087 /nfs/dbraw/zinc/21/20/87/844212087.db2.gz JBWOBWAGYNNQGR-ZDUSSCGKSA-N -1 1 397.403 3.995 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1C ZINC000180286201 836994441 /nfs/dbraw/zinc/99/44/41/836994441.db2.gz HASMZNCONAGADT-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM Cc1nn(Cc2ccc(C(=O)Nc3c([O-])cccc3F)cc2)c(C)c1[N+](=O)[O-] ZINC000610339755 838556761 /nfs/dbraw/zinc/55/67/61/838556761.db2.gz KAPNQAHCCCXUED-UHFFFAOYSA-N -1 1 384.367 3.553 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000610262434 841220768 /nfs/dbraw/zinc/22/07/68/841220768.db2.gz AKMNSIWUBGAASK-AWEZNQCLSA-N -1 1 399.428 3.822 20 5 GHBDMM Cn1c2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2nc1C1CC1 ZINC000302104068 861206749 /nfs/dbraw/zinc/20/67/49/861206749.db2.gz WMSZHPOGPSCCGF-UHFFFAOYSA-N -1 1 392.462 3.568 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1OCC ZINC000500155353 841540911 /nfs/dbraw/zinc/54/09/11/841540911.db2.gz OTSOELFOUHYXFW-UHFFFAOYSA-N -1 1 394.449 3.810 20 5 GHBDMM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432313842 843463455 /nfs/dbraw/zinc/46/34/55/843463455.db2.gz UDZIBYMJUXBZFZ-UHFFFAOYSA-N -1 1 390.889 3.510 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1Br ZINC000216131754 861795086 /nfs/dbraw/zinc/79/50/86/861795086.db2.gz SEQHCGYFTYSEKX-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1N(C)C ZINC000731783072 861890795 /nfs/dbraw/zinc/89/07/95/861890795.db2.gz YGFXNWRQDXLOBE-UHFFFAOYSA-N -1 1 383.857 3.732 20 5 GHBDMM O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000367124757 862023789 /nfs/dbraw/zinc/02/37/89/862023789.db2.gz ADEPSHRFSRHXCY-LJQANCHMSA-N -1 1 388.383 3.696 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000503995169 849828468 /nfs/dbraw/zinc/82/84/68/849828468.db2.gz WKGXLYONKSELQI-UHFFFAOYSA-N -1 1 389.260 3.813 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)o1 ZINC000732220085 862140097 /nfs/dbraw/zinc/14/00/97/862140097.db2.gz FJIJTWPURWRGQG-UHFFFAOYSA-N -1 1 392.820 3.987 20 5 GHBDMM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000473819866 852133104 /nfs/dbraw/zinc/13/31/04/852133104.db2.gz TXNOTCNGGZFGCR-UHFFFAOYSA-N -1 1 375.812 3.543 20 5 GHBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436789209 852342368 /nfs/dbraw/zinc/34/23/68/852342368.db2.gz JNWZTALDHIMGTG-OAHLLOKOSA-N -1 1 386.795 3.807 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000604434069 862374602 /nfs/dbraw/zinc/37/46/02/862374602.db2.gz FHFAGDBZGNIVOX-UHFFFAOYSA-N -1 1 384.816 3.745 20 5 GHBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000516787866 853000307 /nfs/dbraw/zinc/00/03/07/853000307.db2.gz UAZVHLCYHLYAPU-INIZCTEOSA-N -1 1 380.853 3.986 20 5 GHBDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000519875508 853555027 /nfs/dbraw/zinc/55/50/27/853555027.db2.gz JTOSPMVHVOSNBD-NSHDSACASA-N -1 1 384.841 3.686 20 5 GHBDMM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(F)(F)F)c([O-])c1 ZINC000589952795 855203990 /nfs/dbraw/zinc/20/39/90/855203990.db2.gz HHSSTQDTIPTLKD-UHFFFAOYSA-N -1 1 393.321 3.773 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Br)c(F)cc1[N+](=O)[O-] ZINC000590597533 855504410 /nfs/dbraw/zinc/50/44/10/855504410.db2.gz LESRBGLIDXLLNL-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(C3(c4ccccc4Br)CC3)no2)[n-]1 ZINC000520659124 855950240 /nfs/dbraw/zinc/95/02/40/855950240.db2.gz VEILHTVCEKQZRL-UHFFFAOYSA-N -1 1 375.182 3.815 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1[N+](=O)[O-] ZINC000427632135 856255787 /nfs/dbraw/zinc/25/57/87/856255787.db2.gz UWSJDWAKHZSCFZ-UHFFFAOYSA-N -1 1 399.428 3.775 20 5 GHBDMM COc1cccc(SC)c1[N-]C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905966433 856706662 /nfs/dbraw/zinc/70/66/62/856706662.db2.gz NIBOAUTWNYXTDO-UHFFFAOYSA-N -1 1 390.417 3.739 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1[N+](=O)[O-] ZINC000499509046 857060884 /nfs/dbraw/zinc/06/08/84/857060884.db2.gz YRBJJJPTLRRYHV-UHFFFAOYSA-N -1 1 384.360 3.560 20 5 GHBDMM Cc1c([N-]C(=O)c2ocnc2C(F)F)cc(Br)cc1[N+](=O)[O-] ZINC001270976069 857224701 /nfs/dbraw/zinc/22/47/01/857224701.db2.gz VDCNLCNMGFYCJM-UHFFFAOYSA-N -1 1 376.113 3.844 20 5 GHBDMM Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000594737264 858268906 /nfs/dbraw/zinc/26/89/06/858268906.db2.gz VYWUSYKFIRUFEO-MNOVXSKESA-N -1 1 383.326 3.541 20 5 GHBDMM Cc1cc(Br)c([O-])c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000482644915 858719378 /nfs/dbraw/zinc/71/93/78/858719378.db2.gz ZJSIUTGEBPPJNF-UHFFFAOYSA-N -1 1 379.210 3.943 20 5 GHBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000482732268 858804636 /nfs/dbraw/zinc/80/46/36/858804636.db2.gz IUSDILRBVUIAFO-UHFFFAOYSA-N -1 1 393.325 3.942 20 5 GHBDMM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000499760865 859574455 /nfs/dbraw/zinc/57/44/55/859574455.db2.gz KEQWNQDIEAFFPN-UHFFFAOYSA-N -1 1 398.868 3.522 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1F ZINC000063911306 865652676 /nfs/dbraw/zinc/65/26/76/865652676.db2.gz VOFMGRISGXPCDR-UHFFFAOYSA-N -1 1 382.266 3.693 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000139634607 881903879 /nfs/dbraw/zinc/90/38/79/881903879.db2.gz VJKXPECPHDOKHQ-UHFFFAOYSA-N -1 1 384.413 3.656 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000479114535 867157516 /nfs/dbraw/zinc/15/75/16/867157516.db2.gz IXKRFAJOTNIKED-UHFFFAOYSA-N -1 1 390.339 3.509 20 5 GHBDMM COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)cc(Cl)c1[O-] ZINC000443222341 869828489 /nfs/dbraw/zinc/82/84/89/869828489.db2.gz KJRQPQWGXYQDAW-UHFFFAOYSA-N -1 1 375.768 3.912 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000462657323 869830623 /nfs/dbraw/zinc/83/06/23/869830623.db2.gz JDVDDITVAHRGST-VIFPVBQESA-N -1 1 390.795 3.608 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000525187685 870133855 /nfs/dbraw/zinc/13/38/55/870133855.db2.gz RBHKDZUVQNAVHV-UHFFFAOYSA-N -1 1 376.821 3.880 20 5 GHBDMM CC1CCN([C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c2cccs2)CC1 ZINC000538834929 870713206 /nfs/dbraw/zinc/71/32/06/870713206.db2.gz GTTOAQGQUHAGEO-OAHLLOKOSA-N -1 1 389.477 3.565 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC001195085017 872163004 /nfs/dbraw/zinc/16/30/04/872163004.db2.gz ANNWPJRLRQIQAE-SSDOTTSWSA-N -1 1 394.758 3.705 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H]1CCSC1 ZINC000447811779 872339610 /nfs/dbraw/zinc/33/96/10/872339610.db2.gz HVMMAAPYTFNCBP-CYBMUJFWSA-N -1 1 393.490 3.561 20 5 GHBDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799517 882619561 /nfs/dbraw/zinc/61/95/61/882619561.db2.gz JOEQZKNWEYFZTM-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000769047405 873760266 /nfs/dbraw/zinc/76/02/66/873760266.db2.gz NVICMTAQWXOXMO-SECBINFHSA-N -1 1 398.293 3.503 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000769049721 873761404 /nfs/dbraw/zinc/76/14/04/873761404.db2.gz RXSJJELYEGTVDW-VIFPVBQESA-N -1 1 377.303 3.963 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1OC(C)C ZINC000760526172 883426322 /nfs/dbraw/zinc/42/63/22/883426322.db2.gz VXKXDFQKLZIYBK-UHFFFAOYSA-N -1 1 398.412 3.639 20 5 GHBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])[n-]1 ZINC000747257576 883978741 /nfs/dbraw/zinc/97/87/41/883978741.db2.gz WMYFHQBFBDNWRU-UHFFFAOYSA-N -1 1 387.417 3.876 20 5 GHBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c[n-]1 ZINC000747257576 883978749 /nfs/dbraw/zinc/97/87/49/883978749.db2.gz WMYFHQBFBDNWRU-UHFFFAOYSA-N -1 1 387.417 3.876 20 5 GHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000191172038 884526396 /nfs/dbraw/zinc/52/63/96/884526396.db2.gz KYBGQURMZWWCGN-UHFFFAOYSA-N -1 1 389.216 3.905 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cccs1 ZINC000809817636 887842481 /nfs/dbraw/zinc/84/24/81/887842481.db2.gz ITMGFXIXHXVYAI-UHFFFAOYSA-N -1 1 378.834 3.662 20 5 GHBDMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001132550614 889079322 /nfs/dbraw/zinc/07/93/22/889079322.db2.gz HTXYRDMHVFSMIV-SNVBAGLBSA-N -1 1 388.327 3.569 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497959947 892850574 /nfs/dbraw/zinc/85/05/74/892850574.db2.gz PSGUYVJQCUQETO-UHFFFAOYSA-N -1 1 376.434 3.747 20 5 GHBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc12 ZINC000536699587 893571522 /nfs/dbraw/zinc/57/15/22/893571522.db2.gz HXLZOQCANUMROI-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM Cc1cc(Cl)c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1[N+](=O)[O-] ZINC000815406291 893813121 /nfs/dbraw/zinc/81/31/21/893813121.db2.gz CCXZUABVMKRTRJ-UHFFFAOYSA-N -1 1 389.747 3.726 20 5 GHBDMM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001135145959 894080526 /nfs/dbraw/zinc/08/05/26/894080526.db2.gz YTDRQUSEDXFUMS-UHFFFAOYSA-N -1 1 386.183 3.888 20 5 GHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1 ZINC000778447527 895266199 /nfs/dbraw/zinc/26/61/99/895266199.db2.gz VYAGBASIVYNWBO-UHFFFAOYSA-N -1 1 380.198 3.514 20 5 GHBDMM CCOC(=O)c1cc(C(=O)[N-]c2nc(-c3ccccc3)ns2)cc([N+](=O)[O-])c1 ZINC000042090775 897127000 /nfs/dbraw/zinc/12/70/00/897127000.db2.gz SPHPOERWISSVAQ-UHFFFAOYSA-N -1 1 398.400 3.542 20 5 GHBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Br)c([O-])c1 ZINC000133022175 898078417 /nfs/dbraw/zinc/07/84/17/898078417.db2.gz MLTWLHGOIDXDFZ-UHFFFAOYSA-N -1 1 399.628 3.989 20 5 GHBDMM Cc1cccc(Oc2ccccc2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001136705376 898951188 /nfs/dbraw/zinc/95/11/88/898951188.db2.gz KHJOXCMCNLIJMT-UHFFFAOYSA-N -1 1 379.372 3.726 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([O-])c([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000119335083 899592404 /nfs/dbraw/zinc/59/24/04/899592404.db2.gz VFSPCCPDSKHTHU-CQSZACIVSA-N -1 1 380.404 3.505 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000577449635 902782139 /nfs/dbraw/zinc/78/21/39/902782139.db2.gz OAAKBGMQSWQGPY-UHFFFAOYSA-N -1 1 397.840 3.570 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000795329579 909876547 /nfs/dbraw/zinc/87/65/47/909876547.db2.gz HGCKMNYXECAGMQ-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM COc1cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)ccc1OCc1ccccc1 ZINC001212893157 911370037 /nfs/dbraw/zinc/37/00/37/911370037.db2.gz OUOXMBSOJARSPN-UHFFFAOYSA-N -1 1 393.359 3.623 20 5 GHBDMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001187875763 915600750 /nfs/dbraw/zinc/60/07/50/915600750.db2.gz SBCMYOPRTCYERU-PWSUYJOCSA-N -1 1 399.321 3.854 20 5 GHBDMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000298928143 921062689 /nfs/dbraw/zinc/06/26/89/921062689.db2.gz DARXKNQYCRRYTA-UHFFFAOYSA-N -1 1 378.816 3.747 20 5 GHBDMM CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000802660785 922320642 /nfs/dbraw/zinc/32/06/42/922320642.db2.gz WGXUGGCPZLXAHK-HXUWFJFHSA-N -1 1 391.468 3.523 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000010846056 924416993 /nfs/dbraw/zinc/41/69/93/924416993.db2.gz ZFOMTSUUBGUSDH-UHFFFAOYSA-N -1 1 385.445 3.592 20 5 GHBDMM CCN(CC)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000469446750 929898549 /nfs/dbraw/zinc/89/85/49/929898549.db2.gz SGAFMQRMCZHFEO-GOSISDBHSA-N -1 1 391.855 3.767 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000777935344 934223680 /nfs/dbraw/zinc/22/36/80/934223680.db2.gz KYIOOGCQQIXQFR-UHFFFAOYSA-N -1 1 392.330 3.948 20 5 GHBDMM O=C([O-])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccc(F)cc1F ZINC001334794909 961831442 /nfs/dbraw/zinc/83/14/42/961831442.db2.gz WBKKQEGLMVKGIV-LSDHHAIUSA-N -1 1 396.777 3.827 20 5 GHBDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001599901004 984825801 /nfs/dbraw/zinc/82/58/01/984825801.db2.gz GQUFVORANWVYRM-BONVTDFDSA-N -1 1 379.210 3.834 20 5 GHBDMM C[C@H](C(=O)[O-])[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC001589469030 986937443 /nfs/dbraw/zinc/93/74/43/986937443.db2.gz OLONHFOMVNNYDV-MEDUHNTESA-N -1 1 393.237 3.909 20 5 GHBDMM CCc1ccc(CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C2CC2)cc1 ZINC001597526116 988170337 /nfs/dbraw/zinc/17/03/37/988170337.db2.gz LOVIUOJFQXUZEG-UHFFFAOYSA-N -1 1 384.432 3.785 20 5 GHBDMM CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599064720 999291066 /nfs/dbraw/zinc/29/10/66/999291066.db2.gz ZUVLZFNKYJIQSW-GTNSWQLSSA-N -1 1 378.812 3.812 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227310577 1032368872 /nfs/dbraw/zinc/36/88/72/1032368872.db2.gz VQGHBWCPCNEXFE-QWHCGFSZSA-N -1 1 398.411 3.858 20 5 GHBDMM CCOC(=O)[C@H](Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-])C1CC1 ZINC001227702137 1032523079 /nfs/dbraw/zinc/52/30/79/1032523079.db2.gz MSSXGRDVMPNNER-LJQANCHMSA-N -1 1 399.399 3.560 20 5 GHBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3COc4cnccc43)c([N+](=O)[O-])c2)cc1 ZINC001227703562 1032524046 /nfs/dbraw/zinc/52/40/46/1032524046.db2.gz WAVOTKWTZBLMAL-IBGZPJMESA-N -1 1 392.367 3.747 20 5 GHBDMM O=[N+]([O-])c1ccc2nc(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)[n-]c2c1 ZINC001227743294 1032539163 /nfs/dbraw/zinc/53/91/63/1032539163.db2.gz KWMSEHODEUGUAF-YLBKJLTLSA-N -1 1 385.323 3.876 20 5 GHBDMM O=[N+]([O-])c1ccc2[n-]c(O/C(=C\[C@H](O)C(F)(F)F)c3cccs3)nc2c1 ZINC001227743294 1032539165 /nfs/dbraw/zinc/53/91/65/1032539165.db2.gz KWMSEHODEUGUAF-YLBKJLTLSA-N -1 1 385.323 3.876 20 5 GHBDMM CCOC(=O)c1cc(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)n[nH]1 ZINC001155990929 1032825234 /nfs/dbraw/zinc/82/52/34/1032825234.db2.gz OSVQDKNWSQMPGA-UHFFFAOYSA-N -1 1 393.428 3.549 20 5 GHBDMM O=[N+]([O-])c1ccccc1N1CCC(Oc2[n-]c(=S)nc3ccccc32)CC1 ZINC001228766895 1033085949 /nfs/dbraw/zinc/08/59/49/1033085949.db2.gz WMEUJXXMXMRFNT-UHFFFAOYSA-N -1 1 382.445 3.875 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2cnc3c(Cl)nc(Br)cn23)ccc1[O-] ZINC001210395046 1027487905 /nfs/dbraw/zinc/48/79/05/1027487905.db2.gz ORIKRESBAYAGJE-UHFFFAOYSA-N -1 1 384.577 3.503 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c(Cl)cc1Cl ZINC001211388669 1027936814 /nfs/dbraw/zinc/93/68/14/1027936814.db2.gz QZUWHGQZZJRIOT-UHFFFAOYSA-N -1 1 379.265 3.760 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1[N+](=O)[O-] ZINC001229751209 1033686239 /nfs/dbraw/zinc/68/62/39/1033686239.db2.gz SJTHSBJFOQRUTP-SWLSCSKDSA-N -1 1 384.404 3.725 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)n1 ZINC001231265133 1034492454 /nfs/dbraw/zinc/49/24/54/1034492454.db2.gz YXOFDFJCSYXCKT-CYBMUJFWSA-N -1 1 393.440 3.705 20 5 GHBDMM C[C@@H](COc1ccccc1)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234122901 1039863011 /nfs/dbraw/zinc/86/30/11/1039863011.db2.gz BUAVKIWYYOISQN-LBPRGKRZSA-N -1 1 394.379 3.909 20 5 GHBDMM COC(=O)c1nc(-c2ccccc2)[n-]c(=O)c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001234556296 1040125592 /nfs/dbraw/zinc/12/55/92/1040125592.db2.gz CZDLRHJYEQQABG-GFCCVEGCSA-N -1 1 395.371 3.684 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3Cc4ccccc4O3)c12 ZINC001234745667 1040271063 /nfs/dbraw/zinc/27/10/63/1040271063.db2.gz WBMGNHOEKAKVFH-OAHLLOKOSA-N -1 1 376.364 3.740 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747787 1040272349 /nfs/dbraw/zinc/27/23/49/1040272349.db2.gz OOADBQQSDFMTSM-IUODEOHRSA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3CC[C@]4(CCCCO4)O3)c12 ZINC001234748542 1040274361 /nfs/dbraw/zinc/27/43/61/1040274361.db2.gz SIYADOPEEHEENC-QRQCRPRQSA-N -1 1 398.411 3.812 20 5 GHBDMM COc1cccc(OC[C@H](C)Oc2c([O-])cc(Br)cc2[N+](=O)[O-])c1 ZINC001234877737 1040391119 /nfs/dbraw/zinc/39/11/19/1040391119.db2.gz QOLRDZOZFHEITE-JTQLQIEISA-N -1 1 398.209 3.918 20 5 GHBDMM O=C(c1c([O-])cnc2c(F)cccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001295871922 1045178907 /nfs/dbraw/zinc/17/89/07/1045178907.db2.gz TZZQADMCTYJFNK-UHFFFAOYSA-N -1 1 381.363 3.793 20 5 GHBDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(C)c1 ZINC001462927251 1070667098 /nfs/dbraw/zinc/66/70/98/1070667098.db2.gz CPEGLTJHNIZEQA-UHFFFAOYSA-N -1 1 386.832 3.791 20 5 GHBDMM O=C(N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302713544 1047057863 /nfs/dbraw/zinc/05/78/63/1047057863.db2.gz FKCUCTMGFUXPDJ-QGZVFWFLSA-N -1 1 395.419 3.623 20 5 GHBDMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001288035658 1048970138 /nfs/dbraw/zinc/97/01/38/1048970138.db2.gz PYIZHDWYVZWBAT-UHFFFAOYSA-N -1 1 386.257 3.565 20 5 GHBDMM C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309191004 1050451199 /nfs/dbraw/zinc/45/11/99/1050451199.db2.gz QTXXOHVDNHXKDN-WDEREUQCSA-N -1 1 378.853 3.882 20 5 GHBDMM Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(OC(C)(C)C)c1 ZINC001309305551 1050575745 /nfs/dbraw/zinc/57/57/45/1050575745.db2.gz VWHGLODIUKSFTO-UHFFFAOYSA-N -1 1 396.440 3.698 20 5 GHBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(Br)ccc1[O-] ZINC001446119017 1059704415 /nfs/dbraw/zinc/70/44/15/1059704415.db2.gz WLFTXNKUSGWNPX-UHFFFAOYSA-N -1 1 385.601 3.646 20 5 GHBDMM CCOc1cc(C(=O)[N-]c2cc(-c3cccs3)on2)c([N+](=O)[O-])cc1OC ZINC001457923697 1063443790 /nfs/dbraw/zinc/44/37/90/1063443790.db2.gz NAWPFZQIJAABKN-UHFFFAOYSA-N -1 1 389.389 3.971 20 5 GHBDMM Cc1cc(N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)ncc1[N+](=O)[O-] ZINC001458547794 1063883873 /nfs/dbraw/zinc/88/38/73/1063883873.db2.gz LNCDTUNGBSGXGT-GFCCVEGCSA-N -1 1 394.353 3.602 20 5 GHBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H]1C ZINC001463622668 1064506978 /nfs/dbraw/zinc/50/69/78/1064506978.db2.gz HQHHXOLHYSQVEJ-OUAUKWLOSA-N -1 1 378.853 3.738 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC001463778605 1064609277 /nfs/dbraw/zinc/60/92/77/1064609277.db2.gz XLNXCSVISSPKLR-CYBMUJFWSA-N -1 1 398.843 3.859 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c1C ZINC001464118920 1064835036 /nfs/dbraw/zinc/83/50/36/1064835036.db2.gz XDXZNVDDDSNGGT-AWEZNQCLSA-N -1 1 376.425 3.704 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)C(F)F)cs1 ZINC001464352019 1064967082 /nfs/dbraw/zinc/96/70/82/1064967082.db2.gz FHDQEWCZNHBEPT-NSHDSACASA-N -1 1 382.797 3.594 20 5 GHBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001465534846 1065696483 /nfs/dbraw/zinc/69/64/83/1065696483.db2.gz VFDNBWYOPOHUHS-DLBZAZTESA-N -1 1 391.468 3.676 20 5 GHBDMM O=C(Nc1nc(Br)ccc1[O-])c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001467241241 1067171937 /nfs/dbraw/zinc/17/19/37/1067171937.db2.gz AQKUMUJHTLBSDI-UHFFFAOYSA-N -1 1 390.552 3.503 20 5 GHBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC001472499083 1073514980 /nfs/dbraw/zinc/51/49/80/1073514980.db2.gz VYTCJZNCUNHHND-UHFFFAOYSA-N -1 1 384.219 3.710 20 5 GHBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC001474877436 1074607281 /nfs/dbraw/zinc/60/72/81/1074607281.db2.gz JGKJNKQPEAROAT-MRVPVSSYSA-N -1 1 378.834 3.797 20 5 GHBDMM O=C([O-])c1cc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000740090015 600191753 /nfs/dbraw/zinc/19/17/53/600191753.db2.gz JHLCEGJPRDNUMO-UHFFFAOYSA-N -1 1 386.751 3.589 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(COC2CCCCC2)c1 ZINC000823624739 606704078 /nfs/dbraw/zinc/70/40/78/606704078.db2.gz HYNLPDXVJUPPJC-UHFFFAOYSA-N -1 1 395.423 3.763 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(COC2CCCCC2)c1 ZINC000823624739 606704080 /nfs/dbraw/zinc/70/40/80/606704080.db2.gz HYNLPDXVJUPPJC-UHFFFAOYSA-N -1 1 395.423 3.763 20 5 GHBDMM CC(C)(Cc1ccccc1Cl)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728589642 834631549 /nfs/dbraw/zinc/63/15/49/834631549.db2.gz JMLYNPRTBCAUFG-UHFFFAOYSA-N -1 1 386.832 3.687 20 5 GHBDMM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000179868715 836156185 /nfs/dbraw/zinc/15/61/85/836156185.db2.gz UWARXACQUJPTMX-IUODEOHRSA-N -1 1 390.889 3.510 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000174648341 836516927 /nfs/dbraw/zinc/51/69/27/836516927.db2.gz CALYDKXRXPIJEO-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000610317401 838392778 /nfs/dbraw/zinc/39/27/78/838392778.db2.gz VLZOLZGXVZSVAF-UHFFFAOYSA-N -1 1 393.252 3.723 20 5 GHBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[n-]c1=O ZINC000188019376 838480102 /nfs/dbraw/zinc/48/01/02/838480102.db2.gz VFGVEZZTKUBCJK-FMIVXFBMSA-N -1 1 395.371 3.675 20 5 GHBDMM Cc1ccnc(-c2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)n1 ZINC000302176146 861230124 /nfs/dbraw/zinc/23/01/24/861230124.db2.gz MWQXQFKNGOFVPP-UHFFFAOYSA-N -1 1 390.446 3.569 20 5 GHBDMM CC(C)(C)c1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001167937115 844797776 /nfs/dbraw/zinc/79/77/76/844797776.db2.gz RRXZPEDYEUEJSE-UHFFFAOYSA-N -1 1 390.376 3.977 20 5 GHBDMM O=[N+]([O-])c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c2ccccc21 ZINC001167938275 844829828 /nfs/dbraw/zinc/82/98/28/844829828.db2.gz HXYKRMMGAVHTEW-UHFFFAOYSA-N -1 1 384.328 3.833 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000016100073 847321110 /nfs/dbraw/zinc/32/11/10/847321110.db2.gz IEFALLNCGIYALZ-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000515633553 851275749 /nfs/dbraw/zinc/27/57/49/851275749.db2.gz LZUHPJSAKWRQFD-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM COc1ccc(-c2ccc(CNCc3ccccc3CC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426717111 852301721 /nfs/dbraw/zinc/30/17/21/852301721.db2.gz ZUKXBVIAYPMGFQ-UHFFFAOYSA-N -1 1 396.399 3.780 20 5 GHBDMM COc1ccc2nc(/C=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)cc(C(=O)[O-])c2c1 ZINC000436924867 852506171 /nfs/dbraw/zinc/50/61/71/852506171.db2.gz GYAFFWBVANSGFL-ONEGZZNKSA-N -1 1 396.355 3.734 20 5 GHBDMM CC(C)=CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000913461944 853382833 /nfs/dbraw/zinc/38/28/33/853382833.db2.gz WSDSJHOJQKUAPS-UHFFFAOYSA-N -1 1 389.433 3.609 20 5 GHBDMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129425701 853586636 /nfs/dbraw/zinc/58/66/36/853586636.db2.gz DQCPRNHKAKBVIY-UHFFFAOYSA-N -1 1 376.344 3.568 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000172901620 856651603 /nfs/dbraw/zinc/65/16/03/856651603.db2.gz FSWIBVVEXXITJW-UHFFFAOYSA-N -1 1 390.339 3.509 20 5 GHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCCC2CCOCC2)cc1C(F)(F)F ZINC000592382976 856827100 /nfs/dbraw/zinc/82/71/00/856827100.db2.gz YQJOBBWTSGMSMS-UHFFFAOYSA-N -1 1 396.387 3.562 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)s1 ZINC000508066498 856851965 /nfs/dbraw/zinc/85/19/65/856851965.db2.gz CCYVBWUHKRBBKW-UHFFFAOYSA-N -1 1 384.401 3.590 20 5 GHBDMM Cc1ccc2c(CC[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c[nH]c2c1 ZINC000485903262 857212797 /nfs/dbraw/zinc/21/27/97/857212797.db2.gz XFCCKCHGAWGAKF-UHFFFAOYSA-N -1 1 393.852 3.559 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000442340203 857753754 /nfs/dbraw/zinc/75/37/54/857753754.db2.gz IRCXAKWJDGGOLS-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132322134 858193366 /nfs/dbraw/zinc/19/33/66/858193366.db2.gz ARPFGRRWJQUUSA-UHFFFAOYSA-N -1 1 395.412 3.500 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092263190 860016538 /nfs/dbraw/zinc/01/65/38/860016538.db2.gz BXOWPHATPHKRPQ-GFCCVEGCSA-N -1 1 392.330 3.706 20 5 GHBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000484773126 860339236 /nfs/dbraw/zinc/33/92/36/860339236.db2.gz ZXLFWHFWJHWXQO-CQSZACIVSA-N -1 1 383.326 3.841 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2CC(=O)[O-])cc1OC ZINC000593744577 861136034 /nfs/dbraw/zinc/13/60/34/861136034.db2.gz GQGFWFOMZWNCSX-GOEBONIOSA-N -1 1 394.468 3.858 20 5 GHBDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1C ZINC000603779015 861165317 /nfs/dbraw/zinc/16/53/17/861165317.db2.gz LKGKAAQYGQMIGR-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031900413 881672269 /nfs/dbraw/zinc/67/22/69/881672269.db2.gz OTQOOSANARSULO-KRWDZBQOSA-N -1 1 389.839 3.521 20 5 GHBDMM CC(C)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1-c1ccccc1F ZINC000172688033 863865015 /nfs/dbraw/zinc/86/50/15/863865015.db2.gz GBQWJRZIYMHAIK-UHFFFAOYSA-N -1 1 387.346 3.829 20 5 GHBDMM CCN(c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1)C(C)C ZINC000734740809 864417521 /nfs/dbraw/zinc/41/75/21/864417521.db2.gz STCWFPMICBBKJI-UHFFFAOYSA-N -1 1 377.466 3.939 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000735678504 864906442 /nfs/dbraw/zinc/90/64/42/864906442.db2.gz WKNUAVCJUFNIIA-UHFFFAOYSA-N -1 1 396.852 3.658 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444348160 865036475 /nfs/dbraw/zinc/03/64/75/865036475.db2.gz AYRFCYQHIZJFKP-UHFFFAOYSA-N -1 1 397.431 3.924 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000027801220 865740289 /nfs/dbraw/zinc/74/02/89/865740289.db2.gz SXAIGNVRGRYHDA-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC(F)F ZINC000608852386 865794398 /nfs/dbraw/zinc/79/43/98/865794398.db2.gz ALWANSHTEKQUFI-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000608955982 865855075 /nfs/dbraw/zinc/85/50/75/865855075.db2.gz UTSQACIZLCXVSO-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM COC(=O)c1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000183371925 866665129 /nfs/dbraw/zinc/66/51/29/866665129.db2.gz BNRUXUQAICZIBH-UHFFFAOYSA-N -1 1 381.344 3.597 20 5 GHBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444635792 866966329 /nfs/dbraw/zinc/96/63/29/866966329.db2.gz BXVDCFIOUMAFBZ-UHFFFAOYSA-N -1 1 386.436 3.807 20 5 GHBDMM C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444981032 867575214 /nfs/dbraw/zinc/57/52/14/867575214.db2.gz DMGYSOOJXMNGDA-QMTHXVAHSA-N -1 1 395.337 3.938 20 5 GHBDMM COc1cc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445390780 868342222 /nfs/dbraw/zinc/34/22/22/868342222.db2.gz IWDGNCKEASNKHS-UHFFFAOYSA-N -1 1 392.165 3.789 20 5 GHBDMM CC1CCN(c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000743782928 868411503 /nfs/dbraw/zinc/41/15/03/868411503.db2.gz KHSGYZWQOWCHHU-UHFFFAOYSA-N -1 1 375.450 3.632 20 5 GHBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000442724596 868519654 /nfs/dbraw/zinc/51/96/54/868519654.db2.gz VTSDUXBQKNJHLM-SECBINFHSA-N -1 1 394.396 3.757 20 5 GHBDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c4ncccc34)ccc2O1 ZINC000462367702 869296566 /nfs/dbraw/zinc/29/65/66/869296566.db2.gz KBEILRVEIHEFEF-UHFFFAOYSA-N -1 1 399.428 3.657 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000390516887 869915570 /nfs/dbraw/zinc/91/55/70/869915570.db2.gz VGFLEDLHJZJOSX-UHFFFAOYSA-N -1 1 385.239 3.721 20 5 GHBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1-c1cccs1 ZINC000446959849 870773152 /nfs/dbraw/zinc/77/31/52/870773152.db2.gz LVDQBDFSTSCDJG-UHFFFAOYSA-N -1 1 392.462 3.718 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447264322 871282035 /nfs/dbraw/zinc/28/20/35/871282035.db2.gz MCIRZVMCHJREAP-UHFFFAOYSA-N -1 1 392.364 3.803 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc([N+](=O)[O-])c1F ZINC000768280050 873229703 /nfs/dbraw/zinc/22/97/03/873229703.db2.gz NYIJOLONWOTFNA-UHFFFAOYSA-N -1 1 398.387 3.914 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000450963812 877136524 /nfs/dbraw/zinc/13/65/24/877136524.db2.gz DUUPEZGCQSVDJC-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM CSc1cccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1[N+](=O)[O-] ZINC000777074024 883492502 /nfs/dbraw/zinc/49/25/02/883492502.db2.gz RTCHAGQXRDRKFT-UHFFFAOYSA-N -1 1 375.402 3.624 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476245202 884316757 /nfs/dbraw/zinc/31/67/57/884316757.db2.gz IIFQDBKRFFKWDL-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1[N+](=O)[O-] ZINC000191226660 884566932 /nfs/dbraw/zinc/56/69/32/884566932.db2.gz RWGJAKRVHDNDBE-UHFFFAOYSA-N -1 1 394.836 3.795 20 5 GHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cn[nH]c1-c1ccc(F)cc1 ZINC000537542459 885160772 /nfs/dbraw/zinc/16/07/72/885160772.db2.gz DDLGERPWBFXBGC-UHFFFAOYSA-N -1 1 376.731 3.735 20 5 GHBDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000919559805 885927449 /nfs/dbraw/zinc/92/74/49/885927449.db2.gz OKDZUCSLLAFXSJ-CYBMUJFWSA-N -1 1 392.433 3.665 20 5 GHBDMM O=C(Nc1c(O)cc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1[O-] ZINC000556847452 886344350 /nfs/dbraw/zinc/34/43/50/886344350.db2.gz RKUYWLDCKLQRHQ-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc([N+](=O)[O-])c1F ZINC000863426510 887097778 /nfs/dbraw/zinc/09/77/78/887097778.db2.gz DUOCCZRGSCUOMI-UHFFFAOYSA-N -1 1 394.424 3.737 20 5 GHBDMM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393199 887394260 /nfs/dbraw/zinc/39/42/60/887394260.db2.gz WHUKXETYHNOIGS-QMMMGPOBSA-N -1 1 395.289 3.873 20 5 GHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000317042155 887418050 /nfs/dbraw/zinc/41/80/50/887418050.db2.gz UWNUCQBRBXKRSA-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cccnc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301156609 889038192 /nfs/dbraw/zinc/03/81/92/889038192.db2.gz AJYRTNNIVIHDRY-UHFFFAOYSA-N -1 1 398.444 3.711 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc([N+](=O)[O-])c1F ZINC000154251176 890737120 /nfs/dbraw/zinc/73/71/20/890737120.db2.gz FEZXHBHNGJGZDY-UHFFFAOYSA-N -1 1 397.403 3.582 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000064244196 892427462 /nfs/dbraw/zinc/42/74/62/892427462.db2.gz UHLRRFAFNOQMAD-HNNXBMFYSA-N -1 1 398.462 3.925 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000814285975 892492780 /nfs/dbraw/zinc/49/27/80/892492780.db2.gz UBXJUDINSNMXIZ-AWEZNQCLSA-N -1 1 390.795 3.841 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000132291040 897746096 /nfs/dbraw/zinc/74/60/96/897746096.db2.gz GZRXAUMBZMPIPW-UHFFFAOYSA-N -1 1 394.302 3.584 20 5 GHBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1C ZINC000573947630 900716264 /nfs/dbraw/zinc/71/62/64/900716264.db2.gz CXNMQTHBQWNSTQ-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1NC(=O)C1CCCCC1 ZINC000265283747 903774568 /nfs/dbraw/zinc/77/45/68/903774568.db2.gz PILDKUCDZGKPRP-UHFFFAOYSA-N -1 1 386.408 3.703 20 5 GHBDMM Cc1ccccc1Oc1cc(F)cc(F)c1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC001148015953 903941387 /nfs/dbraw/zinc/94/13/87/903941387.db2.gz WZQKFSGHMWNBFC-UHFFFAOYSA-N -1 1 388.330 3.960 20 5 GHBDMM O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299125536 921212896 /nfs/dbraw/zinc/21/28/96/921212896.db2.gz LPVRTMHZFPGWBA-UHFFFAOYSA-N -1 1 390.827 3.891 20 5 GHBDMM O=C(NCCc1c(F)cc([O-])cc1F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001178784851 909226019 /nfs/dbraw/zinc/22/60/19/909226019.db2.gz JKJIAEXMHIURPE-UHFFFAOYSA-N -1 1 390.264 3.570 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795381468 910118570 /nfs/dbraw/zinc/11/85/70/910118570.db2.gz QASVAYKYMZDXPN-VIFPVBQESA-N -1 1 388.804 3.550 20 5 GHBDMM CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071550 921587580 /nfs/dbraw/zinc/58/75/80/921587580.db2.gz IOLWUNGJESSCFE-LBPRGKRZSA-N -1 1 386.404 3.609 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(Cl)c(OC(F)(F)F)c2)no1 ZINC001212893102 911370491 /nfs/dbraw/zinc/37/04/91/911370491.db2.gz MGUJCLCOKAFICZ-UHFFFAOYSA-N -1 1 375.650 3.587 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000007417261 919214382 /nfs/dbraw/zinc/21/43/82/919214382.db2.gz YSECBBMTHNDJRO-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3o2)cc1Cl ZINC000798225972 932569104 /nfs/dbraw/zinc/56/91/04/932569104.db2.gz UCYZMMWQFKPXEN-UHFFFAOYSA-N -1 1 384.772 3.612 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1F ZINC001116128737 933350689 /nfs/dbraw/zinc/35/06/89/933350689.db2.gz BEKYMIXCXGTRKV-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)ccc1Cl ZINC000830009262 935889805 /nfs/dbraw/zinc/88/98/05/935889805.db2.gz VVOYLHVRRHMMCD-GFCCVEGCSA-N -1 1 382.825 3.553 20 5 GHBDMM CC(C)(C)Oc1cccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001590420696 989966015 /nfs/dbraw/zinc/96/60/15/989966015.db2.gz YQOFGOCKQFZIAY-UHFFFAOYSA-N -1 1 388.420 3.525 20 5 GHBDMM COc1cccc([C@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(=O)[O-])c1 ZINC001599688159 991021244 /nfs/dbraw/zinc/02/12/44/991021244.db2.gz OLJZXYJEKHYFTQ-HNNXBMFYSA-N -1 1 384.310 3.538 20 5 GHBDMM C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593686663 996123178 /nfs/dbraw/zinc/12/31/78/996123178.db2.gz LROQTTYUPBWALZ-CYBMUJFWSA-N -1 1 384.388 3.997 20 5 GHBDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000834669444 1021356997 /nfs/dbraw/zinc/35/69/97/1021356997.db2.gz ZDBHUANDLZZHIH-UHFFFAOYSA-N -1 1 381.354 3.736 20 5 GHBDMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC001209846122 1027238508 /nfs/dbraw/zinc/23/85/08/1027238508.db2.gz XZYXTANBILWWSA-QMMMGPOBSA-N -1 1 392.861 3.667 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001209861174 1027250942 /nfs/dbraw/zinc/25/09/42/1027250942.db2.gz DSYNGVBPSSQJOS-AWEZNQCLSA-N -1 1 388.367 3.750 20 5 GHBDMM O=C(Nc1cc(Cl)cc(Br)c1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001153045397 1031440353 /nfs/dbraw/zinc/44/03/53/1031440353.db2.gz NXYULPVXSDZOHS-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM Cc1nc(O[C@@H]2CCCc3c(Br)cccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380195 1033449522 /nfs/dbraw/zinc/44/95/22/1033449522.db2.gz ZLZHXJWNKCQSDG-GFCCVEGCSA-N -1 1 380.198 3.618 20 5 GHBDMM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001207911069 1034652882 /nfs/dbraw/zinc/65/28/82/1034652882.db2.gz CPTJYZKLGXZIBF-LLVKDONJSA-N -1 1 386.832 3.687 20 5 GHBDMM COc1ccccc1OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233506694 1039398428 /nfs/dbraw/zinc/39/84/28/1039398428.db2.gz QDTHFVHSQISHHA-SNVBAGLBSA-N -1 1 377.784 3.979 20 5 GHBDMM Cc1ccc([C@H](C)Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)cn1 ZINC001234123655 1039864818 /nfs/dbraw/zinc/86/48/18/1039864818.db2.gz GDMJGBQGGUCSDS-NSHDSACASA-N -1 1 379.368 3.906 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741799 1040268059 /nfs/dbraw/zinc/26/80/59/1040268059.db2.gz MFCQKUVPJNZPTB-OCCSQVGLSA-N -1 1 398.411 3.858 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747279 1040273146 /nfs/dbraw/zinc/27/31/46/1040273146.db2.gz KFOCMNWMGKFXRX-IUODEOHRSA-N -1 1 398.411 3.858 20 5 GHBDMM C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001234876616 1040390867 /nfs/dbraw/zinc/39/08/67/1040390867.db2.gz HQZNLBCHWINUQD-JTQLQIEISA-N -1 1 396.193 3.574 20 5 GHBDMM COc1cccc2c1[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])CCO2 ZINC001234878159 1040392926 /nfs/dbraw/zinc/39/29/26/1040392926.db2.gz SDMVHIUCGYJHFB-AWEZNQCLSA-N -1 1 396.193 3.974 20 5 GHBDMM C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1cnc2ccccn21 ZINC001234881672 1040395976 /nfs/dbraw/zinc/39/59/76/1040395976.db2.gz RYCUIHCHFNJCCI-SECBINFHSA-N -1 1 378.182 3.851 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc2ccccc21 ZINC001309169127 1050424730 /nfs/dbraw/zinc/42/47/30/1050424730.db2.gz MGXMDNTZAIYEPF-UHFFFAOYSA-N -1 1 390.848 3.922 20 5 GHBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(CC)CC ZINC001309243912 1050512164 /nfs/dbraw/zinc/51/21/64/1050512164.db2.gz KZFWLONVBKVDOF-ZIAGYGMSSA-N -1 1 390.889 3.510 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC001309469129 1050743375 /nfs/dbraw/zinc/74/33/75/1050743375.db2.gz GWYOHFUKADBEFK-AWEZNQCLSA-N -1 1 384.816 3.743 20 5 GHBDMM CCc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cccc(F)c2)cc1 ZINC001441048465 1058688153 /nfs/dbraw/zinc/68/81/53/1058688153.db2.gz LVUCCOOIJRWLKP-IBGZPJMESA-N -1 1 395.390 3.916 20 5 GHBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)CN1Cc1ccccc1 ZINC001454118557 1061611017 /nfs/dbraw/zinc/61/10/17/1061611017.db2.gz NDEHNIQIFVOTGE-UHFFFAOYSA-N -1 1 397.475 3.816 20 5 GHBDMM CSc1cc2c(cc1[N-]C(=O)c1c(C)c(F)ccc1[N+](=O)[O-])OCCO2 ZINC001351974723 1064741149 /nfs/dbraw/zinc/74/11/49/1064741149.db2.gz WUBWDANHMVGOEH-UHFFFAOYSA-N -1 1 378.381 3.788 20 5 GHBDMM O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001468896909 1067922097 /nfs/dbraw/zinc/92/20/97/1067922097.db2.gz PRXSPGOAXLQJLU-UHFFFAOYSA-N -1 1 382.351 3.959 20 5 GHBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Cl)c1 ZINC001478069220 1078701072 /nfs/dbraw/zinc/70/10/72/1078701072.db2.gz DTOCTTWZWGJCJV-UHFFFAOYSA-N -1 1 377.828 3.776 20 5 GHBDMM Cc1cc(C)c(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC001475125432 1074747703 /nfs/dbraw/zinc/74/77/03/1074747703.db2.gz YRXSYGSNKZAZLP-UHFFFAOYSA-N -1 1 382.869 3.694 20 5 GHBDMM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCC2)cc1Cl ZINC000740098679 600942960 /nfs/dbraw/zinc/94/29/60/600942960.db2.gz XMJJKJJTNQIHEO-HNNXBMFYSA-N -1 1 379.800 3.788 20 5 GHBDMM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCC2)cc1Cl ZINC000740098682 600943161 /nfs/dbraw/zinc/94/31/61/600943161.db2.gz XMJJKJJTNQIHEO-OAHLLOKOSA-N -1 1 379.800 3.788 20 5 GHBDMM Cc1cc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)ncc1[N+](=O)[O-] ZINC000822209738 606041976 /nfs/dbraw/zinc/04/19/76/606041976.db2.gz UVSGUFLZSGJJHA-UHFFFAOYSA-N -1 1 393.432 3.819 20 5 GHBDMM O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823443967 606178130 /nfs/dbraw/zinc/17/81/30/606178130.db2.gz IADOQMOUBYTHFB-UHFFFAOYSA-N -1 1 393.384 3.723 20 5 GHBDMM O=C(Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823443967 606178131 /nfs/dbraw/zinc/17/81/31/606178131.db2.gz IADOQMOUBYTHFB-UHFFFAOYSA-N -1 1 393.384 3.723 20 5 GHBDMM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826282655 607929646 /nfs/dbraw/zinc/92/96/46/607929646.db2.gz ZJIHOIHWYSGQQA-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826282655 607929647 /nfs/dbraw/zinc/92/96/47/607929647.db2.gz ZJIHOIHWYSGQQA-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000725818468 835366220 /nfs/dbraw/zinc/36/62/20/835366220.db2.gz NIPHLVDFDAAMNA-UHFFFAOYSA-N -1 1 393.852 3.572 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000180160275 836423942 /nfs/dbraw/zinc/42/39/42/836423942.db2.gz GGBCARTZQLJPAL-UHFFFAOYSA-N -1 1 390.339 3.911 20 5 GHBDMM CSc1nsc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000175533336 836639509 /nfs/dbraw/zinc/63/95/09/836639509.db2.gz YIXRXXPJAFMPHU-UHFFFAOYSA-N -1 1 379.448 3.544 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000610262975 836889907 /nfs/dbraw/zinc/88/99/07/836889907.db2.gz RVZOORRVSYIIQR-INIZCTEOSA-N -1 1 395.868 3.853 20 5 GHBDMM CC(C)Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000610262485 836918870 /nfs/dbraw/zinc/91/88/70/836918870.db2.gz PBEATPTXXLXFRX-GOSISDBHSA-N -1 1 389.477 3.618 20 5 GHBDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000132664014 861201288 /nfs/dbraw/zinc/20/12/88/861201288.db2.gz VZAMWDPTLLOOBD-UHFFFAOYSA-N -1 1 391.380 3.807 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000500474142 843512106 /nfs/dbraw/zinc/51/21/06/843512106.db2.gz YNDYZOXHQHLKBX-UHFFFAOYSA-N -1 1 376.821 3.880 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000320418754 845494350 /nfs/dbraw/zinc/49/43/50/845494350.db2.gz TUZFIWJXKFVEGZ-UHFFFAOYSA-N -1 1 385.239 3.721 20 5 GHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1F ZINC000478098633 846957538 /nfs/dbraw/zinc/95/75/38/846957538.db2.gz XIKNJEKGNBBZRO-UHFFFAOYSA-N -1 1 376.271 3.658 20 5 GHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000046588250 849501524 /nfs/dbraw/zinc/50/15/24/849501524.db2.gz RAIYMWWNOZZYMG-UHFFFAOYSA-N -1 1 397.412 3.648 20 5 GHBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435427563 850510673 /nfs/dbraw/zinc/51/06/73/850510673.db2.gz NQISFHWVLAGBLT-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000487171974 850514221 /nfs/dbraw/zinc/51/42/21/850514221.db2.gz RTMQENKTBYWBQH-UHFFFAOYSA-N -1 1 375.278 3.592 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1[N+](=O)[O-] ZINC000488232286 851284882 /nfs/dbraw/zinc/28/48/82/851284882.db2.gz OKEXTCZYCVRFRP-UHFFFAOYSA-N -1 1 380.397 3.729 20 5 GHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000436514397 852003246 /nfs/dbraw/zinc/00/32/46/852003246.db2.gz PFESWYBXRCDDSR-UHFFFAOYSA-N -1 1 390.417 3.840 20 5 GHBDMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000436913475 852491791 /nfs/dbraw/zinc/49/17/91/852491791.db2.gz GWROYDVBOPUHPR-UHFFFAOYSA-N -1 1 394.174 3.645 20 5 GHBDMM O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975440 852559462 /nfs/dbraw/zinc/55/94/62/852559462.db2.gz ACTDDWZNNOOKAE-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000516788020 853000549 /nfs/dbraw/zinc/00/05/49/853000549.db2.gz YUKPYAMUQCDHJC-INIZCTEOSA-N -1 1 396.852 3.686 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c2ccccc12 ZINC000055555696 854007431 /nfs/dbraw/zinc/00/74/31/854007431.db2.gz KDMMPGIIENVHDL-UHFFFAOYSA-N -1 1 376.365 3.697 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000467418935 854083367 /nfs/dbraw/zinc/08/33/67/854083367.db2.gz PALVQXDPNUIGIF-UHFFFAOYSA-N -1 1 388.449 3.878 20 5 GHBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481968753 862562501 /nfs/dbraw/zinc/56/25/01/862562501.db2.gz FQGNZWKVKUHVES-UHFFFAOYSA-N -1 1 391.449 3.669 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000057748327 855663109 /nfs/dbraw/zinc/66/31/09/855663109.db2.gz OAEZTAMHUJYJBW-UHFFFAOYSA-N -1 1 394.412 3.735 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000520769037 856406893 /nfs/dbraw/zinc/40/68/93/856406893.db2.gz WTKIQLOQKMXUJF-UHFFFAOYSA-N -1 1 390.461 3.885 20 5 GHBDMM O=C(N[C@H](c1ccccc1)c1cccc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485373923 856422134 /nfs/dbraw/zinc/42/21/34/856422134.db2.gz GESDWPQCDQINSJ-QGZVFWFLSA-N -1 1 383.791 3.868 20 5 GHBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000046611670 858112931 /nfs/dbraw/zinc/11/29/31/858112931.db2.gz XHPLGNFQQBTCIX-UHFFFAOYSA-N -1 1 397.412 3.648 20 5 GHBDMM CCOc1ccc(CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000010997653 858543892 /nfs/dbraw/zinc/54/38/92/858543892.db2.gz WHMUZACJOQFZKM-UHFFFAOYSA-N -1 1 399.447 3.579 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000522363931 859197560 /nfs/dbraw/zinc/19/75/60/859197560.db2.gz AMSLIDGYOVACCL-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c2ccccc12 ZINC000072027138 864338588 /nfs/dbraw/zinc/33/85/88/864338588.db2.gz JMZAJCPXTZNRHM-UHFFFAOYSA-N -1 1 387.417 3.530 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000552955071 866551369 /nfs/dbraw/zinc/55/13/69/866551369.db2.gz MEIPVJWTQMYOSL-JTQLQIEISA-N -1 1 396.852 3.989 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1C ZINC000742231731 867146360 /nfs/dbraw/zinc/14/63/60/867146360.db2.gz GEJFDJOEGJMQOV-UHFFFAOYSA-N -1 1 398.853 3.671 20 5 GHBDMM O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445137476 867852765 /nfs/dbraw/zinc/85/27/65/867852765.db2.gz RFDMRPJAYJEBJY-JSGCOSHPSA-N -1 1 395.337 3.780 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnccc1Oc1ccccc1 ZINC000182708939 872705571 /nfs/dbraw/zinc/70/55/71/872705571.db2.gz YCNPOMWPOSNNEJ-UHFFFAOYSA-N -1 1 399.428 3.767 20 5 GHBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000478425915 873009939 /nfs/dbraw/zinc/00/99/39/873009939.db2.gz IIHXLMSLDAWNLC-UHFFFAOYSA-N -1 1 397.412 3.648 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000493281755 879364542 /nfs/dbraw/zinc/36/45/42/879364542.db2.gz RGYKXXHQSJFZDI-UHFFFAOYSA-N -1 1 394.412 3.939 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Cl)cc1Cl ZINC000791432465 880400112 /nfs/dbraw/zinc/40/01/12/880400112.db2.gz OJCQKRZHIHUONA-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1c([O-])cccc1F ZINC000609851227 883729422 /nfs/dbraw/zinc/72/94/22/883729422.db2.gz XQUWMXIDZYSEGZ-UHFFFAOYSA-N -1 1 387.289 3.899 20 5 GHBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)n1 ZINC000556335718 884508397 /nfs/dbraw/zinc/50/83/97/884508397.db2.gz LYAONRODCVZFQD-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000007708198 884531596 /nfs/dbraw/zinc/53/15/96/884531596.db2.gz MTYIYACCBZKVPJ-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000808112495 886021912 /nfs/dbraw/zinc/02/19/12/886021912.db2.gz CXCBBENVABVMTK-UHFFFAOYSA-N -1 1 386.589 3.551 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c(Cl)cc1Cl ZINC000809816003 887827705 /nfs/dbraw/zinc/82/77/05/887827705.db2.gz ZQFFCXHMJIVQPG-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120590250 888380623 /nfs/dbraw/zinc/38/06/23/888380623.db2.gz YRLWVCQMTHIJAL-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000814986424 893322652 /nfs/dbraw/zinc/32/26/52/893322652.db2.gz PBRUHTITQIDFOU-UHFFFAOYSA-N -1 1 385.225 3.581 20 5 GHBDMM Cc1sc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068435853 901088815 /nfs/dbraw/zinc/08/88/15/901088815.db2.gz XBNSWYLLUWQLAB-UHFFFAOYSA-N -1 1 395.510 3.820 20 5 GHBDMM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303293808 914580253 /nfs/dbraw/zinc/58/02/53/914580253.db2.gz NCRKOLHJHXTKBR-LLVKDONJSA-N -1 1 398.444 3.927 20 5 GHBDMM Cc1cc(C2CC2)nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000576942088 902377253 /nfs/dbraw/zinc/37/72/53/902377253.db2.gz CBRUEMJAXOWDHN-UHFFFAOYSA-N -1 1 383.227 3.647 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(Br)cc2Cl)no1 ZINC001212893026 911368823 /nfs/dbraw/zinc/36/88/23/911368823.db2.gz IZHAZCHNQYYTNP-UHFFFAOYSA-N -1 1 388.540 3.590 20 5 GHBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000092785959 911804234 /nfs/dbraw/zinc/80/42/34/911804234.db2.gz AQRVPXMQBRJYBZ-CQSZACIVSA-N -1 1 398.394 3.869 20 5 GHBDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000008053774 921099542 /nfs/dbraw/zinc/09/95/42/921099542.db2.gz CYVXJAORWXHQGI-CQSZACIVSA-N -1 1 398.444 3.964 20 5 GHBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000751986492 928530995 /nfs/dbraw/zinc/53/09/95/928530995.db2.gz INRWVWGNKXSQLV-JTQLQIEISA-N -1 1 399.812 3.504 20 5 GHBDMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000777788954 933471726 /nfs/dbraw/zinc/47/17/26/933471726.db2.gz VHZJEXUECHYWFV-UHFFFAOYSA-N -1 1 395.824 3.551 20 5 GHBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC001593298546 994715544 /nfs/dbraw/zinc/71/55/44/994715544.db2.gz LCOBLJNHRQSHFO-NSHDSACASA-N -1 1 396.346 3.510 20 5 GHBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC001599572121 998382176 /nfs/dbraw/zinc/38/21/76/998382176.db2.gz TWCAZYWHLZQWEE-HNNXBMFYSA-N -1 1 385.203 3.826 20 5 GHBDMM CCC(=O)c1c(O)cc([O-])cc1OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001228557588 1032986684 /nfs/dbraw/zinc/98/66/84/1032986684.db2.gz YHJYMFSXUWOVAB-UHFFFAOYSA-N -1 1 386.404 3.647 20 5 GHBDMM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725828461 1022385503 /nfs/dbraw/zinc/38/55/03/1022385503.db2.gz ILQURCGNIDVZHG-UHFFFAOYSA-N -1 1 398.868 3.513 20 5 GHBDMM COC(=O)c1ccc([C@@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cc1 ZINC001228861835 1033145251 /nfs/dbraw/zinc/14/52/51/1033145251.db2.gz HVKYVWVSPPRPRZ-MRVPVSSYSA-N -1 1 386.282 3.641 20 5 GHBDMM CCOC(=O)c1nc(Cl)c(Cl)nc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215289788 1029133315 /nfs/dbraw/zinc/13/33/15/1029133315.db2.gz SHARTIFULPJPFC-UHFFFAOYSA-N -1 1 393.133 3.890 20 5 GHBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1c(F)cc(Br)cc1F ZINC001225664071 1031529188 /nfs/dbraw/zinc/52/91/88/1031529188.db2.gz INXDWVCFMLSAJV-ZCFIWIBFSA-N -1 1 375.125 3.876 20 5 GHBDMM C[C@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC001226620204 1032047514 /nfs/dbraw/zinc/04/75/14/1032047514.db2.gz VZEZMMWYGWOEJG-AWEZNQCLSA-N -1 1 392.415 3.746 20 5 GHBDMM CCOC(=O)[C@H](CC(C)C)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229804006 1033730345 /nfs/dbraw/zinc/73/03/45/1033730345.db2.gz VBURNQNBZAJDPK-IBGZPJMESA-N -1 1 386.400 3.714 20 5 GHBDMM CSc1ncc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)c(=O)[n-]1 ZINC001213019869 1034811119 /nfs/dbraw/zinc/81/11/19/1034811119.db2.gz VRLOPYYCQDYBDW-UHFFFAOYSA-N -1 1 388.412 3.718 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC001209137060 1035188918 /nfs/dbraw/zinc/18/89/18/1035188918.db2.gz ORZGPXQIJSVTCL-LBPRGKRZSA-N -1 1 382.869 3.893 20 5 GHBDMM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233496823 1039390914 /nfs/dbraw/zinc/39/09/14/1039390914.db2.gz ATJMWKTWLTWIQX-SNVBAGLBSA-N -1 1 394.815 3.679 20 5 GHBDMM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233496818 1039391409 /nfs/dbraw/zinc/39/14/09/1039391409.db2.gz ATJMWKTWLTWIQX-JTQLQIEISA-N -1 1 394.815 3.679 20 5 GHBDMM COC(=O)c1cccc2[n-]c(O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)nc21 ZINC001234045749 1039783108 /nfs/dbraw/zinc/78/31/08/1039783108.db2.gz WHXOHGRTLBHFLA-AWEZNQCLSA-N -1 1 395.293 3.940 20 5 GHBDMM O=c1c2ccc(O)c(O[C@H]3CCc4ccccc4C3)c2oc2cc([O-])cc(O)c12 ZINC001234749675 1040277078 /nfs/dbraw/zinc/27/70/78/1040277078.db2.gz CXKDFPDEDMWMDQ-HNNXBMFYSA-N -1 1 390.391 3.999 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H]4CC=C(OC)CC4)cc([O-])cc3oc21 ZINC001234750616 1040278091 /nfs/dbraw/zinc/27/80/91/1040278091.db2.gz DFMADATYUDMZBW-CYBMUJFWSA-N -1 1 384.384 3.828 20 5 GHBDMM O=c1c2ccc(O)c(O[C@H]3COCc4ccccc43)c2oc2cc([O-])cc(O)c12 ZINC001234751635 1040279888 /nfs/dbraw/zinc/27/98/88/1040279888.db2.gz ZQSCAGIGAFMOFE-SFHVURJKSA-N -1 1 392.363 3.713 20 5 GHBDMM CC(=O)[C@H](C)Oc1cc([O-])cc2oc3cc(O)c4c(c3c(=O)c12)CCC(C)(C)O4 ZINC001234799075 1040331180 /nfs/dbraw/zinc/33/11/80/1040331180.db2.gz LPFDPSQMTWPJTH-NSHDSACASA-N -1 1 398.411 3.817 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CCC(=O)CC4(C)C)cc3c(=O)c12 ZINC001234801475 1040334020 /nfs/dbraw/zinc/33/40/20/1040334020.db2.gz QVXJKTLLVNYISB-IBGZPJMESA-N -1 1 398.411 3.893 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234875499 1040389259 /nfs/dbraw/zinc/38/92/59/1040389259.db2.gz SRNSEJFVJUQEGE-KOLCDFICSA-N -1 1 388.214 3.564 20 5 GHBDMM CC(C)Cc1ccc([C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)cc1 ZINC001462987037 1070710499 /nfs/dbraw/zinc/71/04/99/1070710499.db2.gz IQPYRGXFPUIVRD-GOSISDBHSA-N -1 1 389.477 3.618 20 5 GHBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1c([O-])cnc2c(Br)cccc21 ZINC001290160894 1049747749 /nfs/dbraw/zinc/74/77/49/1049747749.db2.gz HVSBKLAZEADFIB-UHFFFAOYSA-N -1 1 388.177 3.863 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001318259388 1054529419 /nfs/dbraw/zinc/52/94/19/1054529419.db2.gz FXQWRFMZSKULRM-UHFFFAOYSA-N -1 1 378.175 3.939 20 5 GHBDMM CSc1nc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc(=O)[n-]1 ZINC001458462564 1063825100 /nfs/dbraw/zinc/82/51/00/1063825100.db2.gz UVBDYSWSPUNEPC-UHFFFAOYSA-N -1 1 387.396 3.626 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC001463535233 1064443899 /nfs/dbraw/zinc/44/38/99/1064443899.db2.gz AVMCZHJSFULWLM-AWEZNQCLSA-N -1 1 392.452 3.913 20 5 GHBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c([O-])cnc2c(F)cccc21 ZINC001466441240 1066156181 /nfs/dbraw/zinc/15/61/81/1066156181.db2.gz JOMBVHMDRJBPAI-UHFFFAOYSA-N -1 1 389.770 3.614 20 5 GHBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1(F)F ZINC000849460546 1067851502 /nfs/dbraw/zinc/85/15/02/1067851502.db2.gz DRORAOWHCZQDDZ-LLVKDONJSA-N -1 1 389.207 3.615 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001475153372 1074760328 /nfs/dbraw/zinc/76/03/28/1074760328.db2.gz UKUYQFJZVRUJBV-HNNXBMFYSA-N -1 1 384.404 3.919 20 5 GHBDMM C[C@@](NCc1csc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736664591 600079992 /nfs/dbraw/zinc/07/99/92/600079992.db2.gz OSKAETDUVPFTPB-AWEZNQCLSA-N -1 1 385.239 3.508 20 5 GHBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000583817189 835084099 /nfs/dbraw/zinc/08/40/99/835084099.db2.gz BAQPNNXCEBQOSO-VLIAUNLRSA-N -1 1 394.468 3.715 20 5 GHBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)cc([N+](=O)[O-])c1 ZINC000136148207 835270688 /nfs/dbraw/zinc/27/06/88/835270688.db2.gz WDXVYVHOGFGIJX-UHFFFAOYSA-N -1 1 381.344 3.597 20 5 GHBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)c(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000580344639 839337020 /nfs/dbraw/zinc/33/70/20/839337020.db2.gz QGDZCPBLKKHCJD-SECBINFHSA-N -1 1 390.795 3.874 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1C ZINC000511694579 840530260 /nfs/dbraw/zinc/53/02/60/840530260.db2.gz CRRQRKAAABEYBM-UHFFFAOYSA-N -1 1 378.450 3.937 20 5 GHBDMM C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593784077 861291412 /nfs/dbraw/zinc/29/14/12/861291412.db2.gz HMHIDNZTYDPJDN-GOSISDBHSA-N -1 1 375.812 3.586 20 5 GHBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000481897014 843568280 /nfs/dbraw/zinc/56/82/80/843568280.db2.gz RLYAEWRFOKHUHR-UHFFFAOYSA-N -1 1 393.325 3.942 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000183856088 847375431 /nfs/dbraw/zinc/37/54/31/847375431.db2.gz OYMWSQNCNPNSLU-UHFFFAOYSA-N -1 1 376.768 3.664 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000731783439 861889873 /nfs/dbraw/zinc/88/98/73/861889873.db2.gz IHKDAGTYZXTFCG-UHFFFAOYSA-N -1 1 383.857 3.677 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000514665357 850138855 /nfs/dbraw/zinc/13/88/55/850138855.db2.gz CKSVTOHNZQGRHE-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM COc1cccc(N=c2[n-]nc(SCc3cc(O)ccc3[N+](=O)[O-])s2)c1 ZINC000436475205 851963142 /nfs/dbraw/zinc/96/31/42/851963142.db2.gz SRHODXQJUGXZJF-UHFFFAOYSA-N -1 1 390.446 3.618 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427352988 852995522 /nfs/dbraw/zinc/99/55/22/852995522.db2.gz UWADQJADPUPHFF-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CCN(CC)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000519657949 853344605 /nfs/dbraw/zinc/34/46/05/853344605.db2.gz WBRNQMLPLIGINF-INIZCTEOSA-N -1 1 392.843 3.836 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000519891860 853588298 /nfs/dbraw/zinc/58/82/98/853588298.db2.gz XHQJIQGKDSAYES-UHFFFAOYSA-N -1 1 394.758 3.746 20 5 GHBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C ZINC000588856739 854553565 /nfs/dbraw/zinc/55/35/65/854553565.db2.gz BYOYJPLEJSQTDS-UHFFFAOYSA-N -1 1 376.843 3.736 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000485399465 856446552 /nfs/dbraw/zinc/44/65/52/856446552.db2.gz PLCVLZFIGCGQFE-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=C([O-])c1cccc(Cl)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000574092602 857241569 /nfs/dbraw/zinc/24/15/69/857241569.db2.gz FAHPEANQRGKZAN-UHFFFAOYSA-N -1 1 390.823 3.990 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000593740436 861151448 /nfs/dbraw/zinc/15/14/48/861151448.db2.gz YFUSTABDYXILGR-IBGZPJMESA-N -1 1 384.432 3.517 20 5 GHBDMM CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000532272891 881649833 /nfs/dbraw/zinc/64/98/33/881649833.db2.gz XLWHUHNVRPRWBE-UHFFFAOYSA-N -1 1 384.417 3.554 20 5 GHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000609027471 865904694 /nfs/dbraw/zinc/90/46/94/865904694.db2.gz RJDDPOLRYVAUMQ-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445137478 867852493 /nfs/dbraw/zinc/85/24/93/867852493.db2.gz RFDMRPJAYJEBJY-TZMCWYRMSA-N -1 1 395.337 3.780 20 5 GHBDMM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000523839183 868118839 /nfs/dbraw/zinc/11/88/39/868118839.db2.gz SMSNSANUZPMJOD-HHHXNRCGSA-N -1 1 383.429 3.624 20 5 GHBDMM CCOC(=O)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc([N+](=O)[O-])c1 ZINC000445452412 868482471 /nfs/dbraw/zinc/48/24/71/868482471.db2.gz CKOJEHMFOWHFIU-UHFFFAOYSA-N -1 1 389.751 3.848 20 5 GHBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1-c1cccs1 ZINC000446971200 870826652 /nfs/dbraw/zinc/82/66/52/870826652.db2.gz CTHGCUYANBHPRE-UHFFFAOYSA-N -1 1 392.462 3.718 20 5 GHBDMM COc1cc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc2ccccc21 ZINC001195712359 872600651 /nfs/dbraw/zinc/60/06/51/872600651.db2.gz KZFRWVFWAFSHKK-NSHDSACASA-N -1 1 392.458 3.858 20 5 GHBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448194757 873016716 /nfs/dbraw/zinc/01/67/16/873016716.db2.gz XFCGJMQOMIYPLK-UHFFFAOYSA-N -1 1 385.689 3.562 20 5 GHBDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2)o1 ZINC000541801727 874313482 /nfs/dbraw/zinc/31/34/82/874313482.db2.gz HNUMDMNIGZEPJB-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)n1 ZINC000491609409 875864930 /nfs/dbraw/zinc/86/49/30/875864930.db2.gz HLLXXYKTNDFOKD-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM Cc1ccc(Cc2nnc([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)cc1 ZINC000108247919 876446314 /nfs/dbraw/zinc/44/63/14/876446314.db2.gz AYGGSFMVTDJOPL-UHFFFAOYSA-N -1 1 399.388 3.506 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424028 878488511 /nfs/dbraw/zinc/48/85/11/878488511.db2.gz DBNXEGIDJZNPNU-UHFFFAOYSA-N -1 1 387.465 3.512 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3Cl)[nH]n2)c1 ZINC000153194811 879251244 /nfs/dbraw/zinc/25/12/44/879251244.db2.gz DUXBFDZFVYPZMT-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)c1C ZINC000461213542 879360878 /nfs/dbraw/zinc/36/08/78/879360878.db2.gz PRFTUEHJQNMHGG-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM COc1ccc(-c2ccc(CNCc3cccc(C(=O)[O-])c3)o2)c([N+](=O)[O-])c1 ZINC000617338538 879609459 /nfs/dbraw/zinc/60/94/59/879609459.db2.gz WLDOVXZDDQPOJT-UHFFFAOYSA-N -1 1 382.372 3.851 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(Cl)cc1Cl ZINC000791420991 880400412 /nfs/dbraw/zinc/40/04/12/880400412.db2.gz XFUXKYPVYVMLEH-LLVKDONJSA-N -1 1 391.232 3.851 20 5 GHBDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(F)c1 ZINC000777066867 883421919 /nfs/dbraw/zinc/42/19/19/883421919.db2.gz AJGBQDAJQAEEDL-UHFFFAOYSA-N -1 1 379.275 3.545 20 5 GHBDMM CN(Cc1ccccc1OCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184130445 913015707 /nfs/dbraw/zinc/01/57/07/913015707.db2.gz AMUREFFIIGBKHW-UHFFFAOYSA-N -1 1 393.399 3.547 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000809383975 887356696 /nfs/dbraw/zinc/35/66/96/887356696.db2.gz CPLDASPRARWZOV-SECBINFHSA-N -1 1 375.233 3.941 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(C2CC2)ccc1F ZINC001211973911 888750368 /nfs/dbraw/zinc/75/03/68/888750368.db2.gz SDARSXWRNDDITD-UHFFFAOYSA-N -1 1 384.816 3.743 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c1C ZINC000916729988 890142262 /nfs/dbraw/zinc/14/22/62/890142262.db2.gz PDNIYZPUHGQASD-UHFFFAOYSA-N -1 1 383.857 3.732 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000567804102 897409992 /nfs/dbraw/zinc/40/99/92/897409992.db2.gz OCXWYVQNTRABQD-UHFFFAOYSA-N -1 1 390.339 3.857 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000600662815 902795396 /nfs/dbraw/zinc/79/53/96/902795396.db2.gz VKICGCFWKUECRH-UHFFFAOYSA-N -1 1 376.434 3.598 20 5 GHBDMM CCc1nnc([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s1 ZINC000195257600 908990294 /nfs/dbraw/zinc/99/02/94/908990294.db2.gz ZERPIYSRJHGVET-UHFFFAOYSA-N -1 1 384.417 3.840 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cc1cccs1 ZINC001187581686 915375333 /nfs/dbraw/zinc/37/53/33/915375333.db2.gz GRFMIKLAJSQDQD-SECBINFHSA-N -1 1 392.861 3.606 20 5 GHBDMM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])c21 ZINC001187905914 915587649 /nfs/dbraw/zinc/58/76/49/915587649.db2.gz JDTYMXCLUYKBPM-UHFFFAOYSA-N -1 1 393.852 3.559 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)cc1F ZINC001188055716 915704261 /nfs/dbraw/zinc/70/42/61/915704261.db2.gz XECZETNXODJIKZ-OAHLLOKOSA-N -1 1 378.425 3.743 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000775280512 916806357 /nfs/dbraw/zinc/80/63/57/916806357.db2.gz HCUANAIJTJAPMX-UHFFFAOYSA-N -1 1 383.838 3.967 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000753417011 929341397 /nfs/dbraw/zinc/34/13/97/929341397.db2.gz YETGNCYPNYCAPG-UHFFFAOYSA-N -1 1 378.175 3.939 20 5 GHBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000560012469 933019154 /nfs/dbraw/zinc/01/91/54/933019154.db2.gz QHVWTDDHJOYWLF-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001124515522 935402440 /nfs/dbraw/zinc/40/24/40/935402440.db2.gz DLDWCHOIPJXKTC-UHFFFAOYSA-N -1 1 398.400 3.527 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1OC ZINC001589459098 954857635 /nfs/dbraw/zinc/85/76/35/954857635.db2.gz VZRZLXDXUZXTMJ-SQWLQELKSA-N -1 1 394.468 3.571 20 5 GHBDMM CC(C)[C@@H]1c2ccccc2CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001591105419 991733282 /nfs/dbraw/zinc/73/32/82/991733282.db2.gz SLRMPDJCPTZVQY-OAQYLSRUSA-N -1 1 384.432 3.814 20 5 GHBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCn4ccnc43)c([N+](=O)[O-])c2)cc1 ZINC001227700443 1032522166 /nfs/dbraw/zinc/52/21/66/1032522166.db2.gz UHAYAILCVWIAAW-KRWDZBQOSA-N -1 1 379.372 3.560 20 5 GHBDMM CC[C@@H]1OC(=O)C(Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])=C1C ZINC001227702140 1032523089 /nfs/dbraw/zinc/52/30/89/1032523089.db2.gz MWDJPSLKFYFZFM-KRWDZBQOSA-N -1 1 397.383 3.828 20 5 GHBDMM CCOC(=O)[C@H]1C[C@@H](Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227703613 1032523734 /nfs/dbraw/zinc/52/37/34/1032523734.db2.gz WUUAESFGYYFNEU-IYBDPMFKSA-N -1 1 399.399 3.560 20 5 GHBDMM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195669349 1020971276 /nfs/dbraw/zinc/97/12/76/1020971276.db2.gz ZYHVZYJBFPFAST-CYBMUJFWSA-N -1 1 398.868 3.611 20 5 GHBDMM CCOC(=O)C[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C(F)(F)F ZINC001229516206 1033533552 /nfs/dbraw/zinc/53/35/52/1033533552.db2.gz IPXIFIZFOPJMOR-MRXNPFEDSA-N -1 1 396.317 3.915 20 5 GHBDMM O=c1c2ccc([O-])cc2oc2cc(OC[C@H]3COc4ccccc4O3)ccc12 ZINC001229518784 1033534793 /nfs/dbraw/zinc/53/47/93/1033534793.db2.gz XJMWWUZHNJGHAN-HNNXBMFYSA-N -1 1 376.364 3.871 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001229749459 1033683540 /nfs/dbraw/zinc/68/35/40/1033683540.db2.gz AUNPSJNSIWGYHW-BTTYYORXSA-N -1 1 378.425 3.633 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001229751539 1033685967 /nfs/dbraw/zinc/68/59/67/1033685967.db2.gz VSPMCZYMOWLSDT-WFASDCNBSA-N -1 1 384.404 3.725 20 5 GHBDMM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001160632019 1035020637 /nfs/dbraw/zinc/02/06/37/1035020637.db2.gz OWADXTKBGDFCCD-UHFFFAOYSA-N -1 1 375.812 3.591 20 5 GHBDMM COc1ncc(-c2nc3ccccc3c3ccccc32)cc1[N-]S(C)(=O)=O ZINC001244791067 1036645582 /nfs/dbraw/zinc/64/55/82/1036645582.db2.gz SIRSKTXUQNAEIH-UHFFFAOYSA-N -1 1 379.441 3.830 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)c4ccncc4)cc([O-])cc3oc21 ZINC001234748423 1040274965 /nfs/dbraw/zinc/27/49/65/1040274965.db2.gz IDRBBUATTSRNTE-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM O=c1c2ccc(O)c(O[C@@H](c3cccnc3)C3CC3)c2oc2cc([O-])cc(O)c12 ZINC001234750202 1040276258 /nfs/dbraw/zinc/27/62/58/1040276258.db2.gz HLDXGSMJGGZLAK-HXUWFJFHSA-N -1 1 391.379 3.988 20 5 GHBDMM CC1(C)CC(=O)CC[C@@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750263 1040277991 /nfs/dbraw/zinc/27/79/91/1040277991.db2.gz IQRVNNIAYGUIST-INIZCTEOSA-N -1 1 384.384 3.590 20 5 GHBDMM Cc1ccc(NCCCNC(=O)c2ccc3ccccc3c2[O-])c([N+](=O)[O-])c1 ZINC001293734166 1044320819 /nfs/dbraw/zinc/32/08/19/1044320819.db2.gz RPFBCIFBPSLNAC-UHFFFAOYSA-N -1 1 379.416 3.994 20 5 GHBDMM O=S(=O)([N-]c1cc2cccnc2c2ncccc12)c1ccc2c(c1)CCO2 ZINC001259356545 1045097504 /nfs/dbraw/zinc/09/75/04/1045097504.db2.gz ITTWOCJPRKXGFY-UHFFFAOYSA-N -1 1 377.425 3.519 20 5 GHBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001463153665 1070859322 /nfs/dbraw/zinc/85/93/22/1070859322.db2.gz JEJOIAXOXFLIKV-AWEZNQCLSA-N -1 1 383.857 3.709 20 5 GHBDMM CC(C)C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001463153672 1070859424 /nfs/dbraw/zinc/85/94/24/1070859424.db2.gz JEJOIAXOXFLIKV-CQSZACIVSA-N -1 1 383.857 3.709 20 5 GHBDMM COC(=O)c1cc([N-]C(=O)c2sc3ncccc3c2Cl)cc([N+](=O)[O-])c1 ZINC001265338311 1047593463 /nfs/dbraw/zinc/59/34/63/1047593463.db2.gz SGORUUGRHPKJNT-UHFFFAOYSA-N -1 1 391.792 3.897 20 5 GHBDMM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC001309262393 1050532980 /nfs/dbraw/zinc/53/29/80/1050532980.db2.gz OAAMGBBSQWCJBO-UHFFFAOYSA-N -1 1 380.441 3.552 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1F ZINC001309418164 1050702235 /nfs/dbraw/zinc/70/22/35/1050702235.db2.gz MAERVBNOKNFWND-HZPDHXFCSA-N -1 1 392.452 3.732 20 5 GHBDMM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309671909 1050911922 /nfs/dbraw/zinc/91/19/22/1050911922.db2.gz DZMJZTYAJSLFRL-ZDUSSCGKSA-N -1 1 386.832 3.687 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3cc(Cl)ccc32)cc1F ZINC001309757780 1050957865 /nfs/dbraw/zinc/95/78/65/1050957865.db2.gz SOHZIZVZQAIHRI-CQSZACIVSA-N -1 1 384.816 3.662 20 5 GHBDMM Cc1cc(F)ccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001464462647 1065025099 /nfs/dbraw/zinc/02/50/99/1065025099.db2.gz KONYBHDSBYJCME-VIFPVBQESA-N -1 1 390.795 3.874 20 5 GHBDMM CC(C)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001464503429 1065049710 /nfs/dbraw/zinc/04/97/10/1065049710.db2.gz DSAALBMFPJUOGK-HNNXBMFYSA-N -1 1 382.869 3.794 20 5 GHBDMM CC(C)(C)OC(=O)CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC001471880478 1073241125 /nfs/dbraw/zinc/24/11/25/1073241125.db2.gz TZHPYVXKVZYKML-CQSZACIVSA-N -1 1 399.447 3.864 20 5 GHBDMM O=C(Nc1ccncc1[O-])c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001472506193 1073520122 /nfs/dbraw/zinc/52/01/22/1073520122.db2.gz PBESLRXJLWWEEV-UHFFFAOYSA-N -1 1 398.806 3.635 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001475387460 1074857102 /nfs/dbraw/zinc/85/71/02/1074857102.db2.gz QMSWEWQUUGVGLB-UKRRQHHQSA-N -1 1 395.868 3.648 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(OC3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373352 598503221 /nfs/dbraw/zinc/50/32/21/598503221.db2.gz AWEPQPPXDQXYGN-UHFFFAOYSA-N -1 1 382.380 3.674 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(OC3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373352 598503222 /nfs/dbraw/zinc/50/32/22/598503222.db2.gz AWEPQPPXDQXYGN-UHFFFAOYSA-N -1 1 382.380 3.674 20 5 GHBDMM O=[N+]([O-])c1c(N[C@@H]2CC=CCC2)cc(N[C@H]2CC=CCC2)cc1-c1nnn[n-]1 ZINC000823629587 599564641 /nfs/dbraw/zinc/56/46/41/599564641.db2.gz ASFLSBJGNHMQGN-UONOGXRCSA-N -1 1 381.440 3.816 20 5 GHBDMM O=[N+]([O-])c1c(N[C@@H]2CC=CCC2)cc(N[C@H]2CC=CCC2)cc1-c1nn[n-]n1 ZINC000823629587 599564642 /nfs/dbraw/zinc/56/46/42/599564642.db2.gz ASFLSBJGNHMQGN-UONOGXRCSA-N -1 1 381.440 3.816 20 5 GHBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000824649862 607447830 /nfs/dbraw/zinc/44/78/30/607447830.db2.gz NVYNULBLMXAFAU-SECBINFHSA-N -1 1 378.314 3.967 20 5 GHBDMM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820295170 606704740 /nfs/dbraw/zinc/70/47/40/606704740.db2.gz ZVFZRGCSIUFAAW-MRVPVSSYSA-N -1 1 394.222 3.520 20 5 GHBDMM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820295170 606704742 /nfs/dbraw/zinc/70/47/42/606704742.db2.gz ZVFZRGCSIUFAAW-MRVPVSSYSA-N -1 1 394.222 3.520 20 5 GHBDMM C[C@@H]1C[C@@H]1[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668322 606713320 /nfs/dbraw/zinc/71/33/20/606713320.db2.gz ROQCJVBUGSQYEV-BIGNPOOSSA-N -1 1 385.815 3.633 20 5 GHBDMM C[C@@H]1C[C@@H]1[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668322 606713321 /nfs/dbraw/zinc/71/33/21/606713321.db2.gz ROQCJVBUGSQYEV-BIGNPOOSSA-N -1 1 385.815 3.633 20 5 GHBDMM C[C@@H]1C[C@H]1[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668323 606713443 /nfs/dbraw/zinc/71/34/43/606713443.db2.gz ROQCJVBUGSQYEV-FZQKWOKYSA-N -1 1 385.815 3.633 20 5 GHBDMM C[C@@H]1C[C@H]1[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668323 606713445 /nfs/dbraw/zinc/71/34/45/606713445.db2.gz ROQCJVBUGSQYEV-FZQKWOKYSA-N -1 1 385.815 3.633 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000317383904 839439461 /nfs/dbraw/zinc/43/94/61/839439461.db2.gz LNUDLFMQMYRMDJ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119197757 839811111 /nfs/dbraw/zinc/81/11/11/839811111.db2.gz LXPRVTSXXGCFRP-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000580974798 840558309 /nfs/dbraw/zinc/55/83/09/840558309.db2.gz FOISAOHFBWEVAP-UHFFFAOYSA-N -1 1 385.239 3.608 20 5 GHBDMM COc1cccc(CN(Cc2cc([O-])ccc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000092966632 840950480 /nfs/dbraw/zinc/95/04/80/840950480.db2.gz FRVXUBJZBOGQMH-UHFFFAOYSA-N -1 1 386.448 3.615 20 5 GHBDMM Cc1sc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)cc1[N+](=O)[O-] ZINC000107166022 841194672 /nfs/dbraw/zinc/19/46/72/841194672.db2.gz IFSNDKKRZNMURV-UHFFFAOYSA-N -1 1 378.410 3.798 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000479131219 847491635 /nfs/dbraw/zinc/49/16/35/847491635.db2.gz MWCHVKATQSNQKO-CQSZACIVSA-N -1 1 392.330 3.624 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCC1 ZINC000503936088 849783285 /nfs/dbraw/zinc/78/32/85/849783285.db2.gz ICOYFCNKGIYYOK-UHFFFAOYSA-N -1 1 398.843 3.788 20 5 GHBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505754777 851215539 /nfs/dbraw/zinc/21/55/39/851215539.db2.gz NUSOTNTWYFDUGJ-UHFFFAOYSA-N -1 1 390.417 3.841 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000520037832 853772578 /nfs/dbraw/zinc/77/25/78/853772578.db2.gz FYCHKJBNZGHLCV-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1OC ZINC000572415292 854484636 /nfs/dbraw/zinc/48/46/36/854484636.db2.gz ZXOBTUBPAOBOOW-VBQJREDUSA-N -1 1 394.468 3.713 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1C[C@@H]2CCC[C@H]2C1 ZINC000301605439 855328712 /nfs/dbraw/zinc/32/87/12/855328712.db2.gz MLJHTWGDPFLWOM-GJZGRUSLSA-N -1 1 387.461 3.632 20 5 GHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000760793085 855623464 /nfs/dbraw/zinc/62/34/64/855623464.db2.gz NDGHGIHDXCTJMS-UHFFFAOYSA-N -1 1 389.747 3.726 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000172183483 856364412 /nfs/dbraw/zinc/36/44/12/856364412.db2.gz QSFUZBCRGFTTAP-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1C ZINC000520872506 857352676 /nfs/dbraw/zinc/35/26/76/857352676.db2.gz RKGZEQCGYLBHRH-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1c(C=C([O-])Nc2nc(-c3cccc(Cl)c3)ns2)cccc1[N+](=O)[O-] ZINC000438975508 857915004 /nfs/dbraw/zinc/91/50/04/857915004.db2.gz FGERMSNQMLCWCL-UHFFFAOYSA-N -1 1 388.836 3.678 20 5 GHBDMM O=C([O-])c1cnc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000592968825 858459675 /nfs/dbraw/zinc/45/96/75/858459675.db2.gz UEIGTJWXBCIFTE-MRXNPFEDSA-N -1 1 390.827 3.590 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000007056753 859443287 /nfs/dbraw/zinc/44/32/87/859443287.db2.gz CFBISCWRSPAWKW-UHFFFAOYSA-N -1 1 375.450 3.694 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000318595315 859849817 /nfs/dbraw/zinc/84/98/17/859849817.db2.gz SNCWGOBEMAUJMP-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000484199960 859887124 /nfs/dbraw/zinc/88/71/24/859887124.db2.gz RMVICBRCSKEYSO-IBGZPJMESA-N -1 1 389.411 3.678 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000154102643 859992145 /nfs/dbraw/zinc/99/21/45/859992145.db2.gz IREJIYZBFHISHW-UHFFFAOYSA-N -1 1 392.330 3.737 20 5 GHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C ZINC000904000076 860011200 /nfs/dbraw/zinc/01/12/00/860011200.db2.gz MKRKVBKVGLRQTM-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c([O-])cc(Br)cc1Cl ZINC000552208515 860016773 /nfs/dbraw/zinc/01/67/73/860016773.db2.gz PZVANMVXYIYUGJ-UHFFFAOYSA-N -1 1 385.601 3.898 20 5 GHBDMM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC000026558113 860513351 /nfs/dbraw/zinc/51/33/51/860513351.db2.gz HARNDDXBRBVCEO-UHFFFAOYSA-N -1 1 379.398 3.648 20 5 GHBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735297013 864713858 /nfs/dbraw/zinc/71/38/58/864713858.db2.gz IDMSKROVAJCJFF-UHFFFAOYSA-N -1 1 384.465 3.779 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000554727271 864777449 /nfs/dbraw/zinc/77/74/49/864777449.db2.gz MHLOYPAYWFYNQX-UHFFFAOYSA-N -1 1 392.433 3.578 20 5 GHBDMM CCOc1ccc(F)c([N-]C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c1F ZINC000534037445 866015828 /nfs/dbraw/zinc/01/58/28/866015828.db2.gz MUWYQDVDCGFNCQ-UHFFFAOYSA-N -1 1 396.346 3.931 20 5 GHBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH][n-]2)c1 ZINC000444805509 867235028 /nfs/dbraw/zinc/23/50/28/867235028.db2.gz UCQNSYNQXMOAKE-UHFFFAOYSA-N -1 1 391.362 3.655 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000524886830 869730534 /nfs/dbraw/zinc/73/05/34/869730534.db2.gz OYYUNCLEJBKYLP-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM C[C@H]1CC(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001192344536 870303329 /nfs/dbraw/zinc/30/33/29/870303329.db2.gz LUPSKPLMBTUXKX-NXEZZACHSA-N -1 1 378.853 3.738 20 5 GHBDMM COc1c(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)cccc1[N+](=O)[O-] ZINC000475648137 870983139 /nfs/dbraw/zinc/98/31/39/870983139.db2.gz GODDZMMSOKVXRY-UHFFFAOYSA-N -1 1 376.419 3.744 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)c1ccccc1 ZINC000525699964 871230759 /nfs/dbraw/zinc/23/07/59/871230759.db2.gz YZDMYSIGGITBNQ-SFHVURJKSA-N -1 1 397.456 3.642 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC(F)F ZINC001194234617 871565863 /nfs/dbraw/zinc/56/58/63/871565863.db2.gz XXLDQYDYRFREBN-UHFFFAOYSA-N -1 1 391.223 3.861 20 5 GHBDMM COc1cc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc2ccccc21 ZINC001195712350 872600790 /nfs/dbraw/zinc/60/07/90/872600790.db2.gz KZFRWVFWAFSHKK-LLVKDONJSA-N -1 1 392.458 3.858 20 5 GHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1Cl ZINC000768866879 873631093 /nfs/dbraw/zinc/63/10/93/873631093.db2.gz DYFSNEMFXREWGZ-UHFFFAOYSA-N -1 1 392.767 3.693 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000609917175 877186092 /nfs/dbraw/zinc/18/60/92/877186092.db2.gz KZIMTZYVWKUPCO-OAHLLOKOSA-N -1 1 380.853 3.548 20 5 GHBDMM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000153188908 877562161 /nfs/dbraw/zinc/56/21/61/877562161.db2.gz PWIMAEIXLIBMCY-UHFFFAOYSA-N -1 1 390.446 3.508 20 5 GHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1Cl ZINC000788217722 877923729 /nfs/dbraw/zinc/92/37/29/877923729.db2.gz USAOBCCQIAPGDQ-UHFFFAOYSA-N -1 1 396.730 3.948 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c2cccnc12 ZINC000493044646 878158445 /nfs/dbraw/zinc/15/84/45/878158445.db2.gz ABNNYJIALNGZEM-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1 ZINC000616040196 878459483 /nfs/dbraw/zinc/45/94/83/878459483.db2.gz DHBDNYQKABYOKO-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000790535317 879800801 /nfs/dbraw/zinc/80/08/01/879800801.db2.gz GWDNEBNLKRLZEM-UHFFFAOYSA-N -1 1 390.758 3.664 20 5 GHBDMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000031722613 879913950 /nfs/dbraw/zinc/91/39/50/879913950.db2.gz AASMBMFWBXQRRU-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000609543501 883335681 /nfs/dbraw/zinc/33/56/81/883335681.db2.gz OPXVXCPCGPXZTM-UKRRQHHQSA-N -1 1 380.853 3.863 20 5 GHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000495270789 885094116 /nfs/dbraw/zinc/09/41/16/885094116.db2.gz BIJNYQQVLXRCBF-UHFFFAOYSA-N -1 1 390.302 3.544 20 5 GHBDMM COC(=O)c1cc([N+](=O)[O-])c([N-][C@H](c2ccccn2)C(F)(F)F)cc1OC ZINC001168485193 885221858 /nfs/dbraw/zinc/22/18/58/885221858.db2.gz FWMQJUYFAOOZBP-CQSZACIVSA-N -1 1 385.298 3.501 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000762287213 885957166 /nfs/dbraw/zinc/95/71/66/885957166.db2.gz DRWFYMDIEBYOEG-UHFFFAOYSA-N -1 1 385.380 3.911 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000193734659 887357651 /nfs/dbraw/zinc/35/76/51/887357651.db2.gz CWJPRVGLHXNBFV-UHFFFAOYSA-N -1 1 390.399 3.562 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000032585954 887410226 /nfs/dbraw/zinc/41/02/26/887410226.db2.gz VGRISIMMYKNHNM-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC001211937063 887428602 /nfs/dbraw/zinc/42/86/02/887428602.db2.gz RZEZKFWUWDCLJS-AWEZNQCLSA-N -1 1 390.795 3.841 20 5 GHBDMM O=C([O-])/C=C\c1ccc(OCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000846237702 902811590 /nfs/dbraw/zinc/81/15/90/902811590.db2.gz RGQNICYULWOPHX-WDZFZDKYSA-N -1 1 382.416 3.736 20 5 GHBDMM Cc1sc2[nH]c([C@H](C)OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000780071724 921568912 /nfs/dbraw/zinc/56/89/12/921568912.db2.gz KBDPGRROHLIIQL-QMMMGPOBSA-N -1 1 389.389 3.546 20 5 GHBDMM COc1ccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)cc1Cl ZINC001212973154 916166082 /nfs/dbraw/zinc/16/60/82/916166082.db2.gz SPXBIBJHBVEDTD-UHFFFAOYSA-N -1 1 389.677 3.716 20 5 GHBDMM COc1c(C)cc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)cc1C ZINC001212973308 916169585 /nfs/dbraw/zinc/16/95/85/916169585.db2.gz VWMXRMRMILONIS-UHFFFAOYSA-N -1 1 383.286 3.679 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCC1 ZINC001189455707 916660787 /nfs/dbraw/zinc/66/07/87/916660787.db2.gz BRSLRRXZJWLUJE-UHFFFAOYSA-N -1 1 398.843 3.831 20 5 GHBDMM O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119384977 919626948 /nfs/dbraw/zinc/62/69/48/919626948.db2.gz FKRHSTUKJPDGIQ-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM O=C(OCc1nc2cc(Br)ccc2o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000803398248 922944312 /nfs/dbraw/zinc/94/43/12/922944312.db2.gz QMDHGNLHZIKZSQ-UHFFFAOYSA-N -1 1 393.149 3.561 20 5 GHBDMM Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(Oc2ccccc2)c1 ZINC001137330508 924709760 /nfs/dbraw/zinc/70/97/60/924709760.db2.gz QYALHXVSRUZUQI-UHFFFAOYSA-N -1 1 379.372 3.726 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000467409921 929043992 /nfs/dbraw/zinc/04/39/92/929043992.db2.gz BQBBYZLPZKHAFV-UHFFFAOYSA-N -1 1 388.449 3.878 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)ccc1F ZINC000782263359 931146573 /nfs/dbraw/zinc/14/65/73/931146573.db2.gz JDMWKEXGRSTMGF-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000557361138 931375236 /nfs/dbraw/zinc/37/52/36/931375236.db2.gz GZKUUGCPCJYOPP-UHFFFAOYSA-N -1 1 395.337 3.767 20 5 GHBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000798247339 932575933 /nfs/dbraw/zinc/57/59/33/932575933.db2.gz PLXRJFXCJNDWAP-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM CC(C)c1cnc(Sc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1C1CC1 ZINC001574424806 948863129 /nfs/dbraw/zinc/86/31/29/948863129.db2.gz WAMUJOIPPKLQHS-UHFFFAOYSA-N -1 1 377.455 3.642 20 5 GHBDMM CC(C)c1cnc(Sc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1C1CC1 ZINC001574424806 948863142 /nfs/dbraw/zinc/86/31/42/948863142.db2.gz WAMUJOIPPKLQHS-UHFFFAOYSA-N -1 1 377.455 3.642 20 5 GHBDMM CC(C)(C)c1nc2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2[nH]1 ZINC001590545676 990184466 /nfs/dbraw/zinc/18/44/66/990184466.db2.gz LTKBGISOUUYVTC-UHFFFAOYSA-N -1 1 382.376 3.719 20 5 GHBDMM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001599655476 994571750 /nfs/dbraw/zinc/57/17/50/994571750.db2.gz KWCBFNOBIVMEEH-SFHVURJKSA-N -1 1 378.812 3.737 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ccc(Cl)nc2I)ccc1[O-] ZINC001210392805 1027484160 /nfs/dbraw/zinc/48/41/60/1027484160.db2.gz JZDXGUVOXYEINB-UHFFFAOYSA-N -1 1 391.552 3.697 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c(C)o1 ZINC000840954576 1027984053 /nfs/dbraw/zinc/98/40/53/1027984053.db2.gz KKVVINJDKYBPDH-CYBMUJFWSA-N -1 1 396.318 3.526 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(C)C)c2)cc1F ZINC001213697993 1028336908 /nfs/dbraw/zinc/33/69/08/1028336908.db2.gz KYXGTIPOLNNBGH-ZDUSSCGKSA-N -1 1 396.440 3.869 20 5 GHBDMM Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001157157415 1033437540 /nfs/dbraw/zinc/43/75/40/1033437540.db2.gz WKTSIHXJBSWJCG-UHFFFAOYSA-N -1 1 399.343 3.536 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2F)cc1[N+](=O)[O-] ZINC001229751208 1033685919 /nfs/dbraw/zinc/68/59/19/1033685919.db2.gz SJTHSBJFOQRUTP-IUODEOHRSA-N -1 1 384.404 3.725 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)cc1[N+](=O)[O-] ZINC001229751929 1033687653 /nfs/dbraw/zinc/68/76/53/1033687653.db2.gz ZBQDMHSDZFSDPB-CQSZACIVSA-N -1 1 388.367 3.632 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@@H]3Cc4ccccc4O3)c(O)cc12 ZINC001229802261 1033727306 /nfs/dbraw/zinc/72/73/06/1033727306.db2.gz JQKXNNOHJDMCJV-AWEZNQCLSA-N -1 1 376.364 3.740 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@H]3CC[C@]4(CCCCO4)O3)c(O)cc12 ZINC001229806084 1033731439 /nfs/dbraw/zinc/73/14/39/1033731439.db2.gz RZFBPMYZWPBGRX-PEBXRYMYSA-N -1 1 398.411 3.812 20 5 GHBDMM O=C(Nc1ccc([O-])c(F)c1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157805951 1033777453 /nfs/dbraw/zinc/77/74/53/1033777453.db2.gz SBYOQZUUJMWZNP-UHFFFAOYSA-N -1 1 377.328 3.954 20 5 GHBDMM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231202872 1034461569 /nfs/dbraw/zinc/46/15/69/1034461569.db2.gz DBKYTUQDHCMJIL-ZDUSSCGKSA-N -1 1 396.378 3.554 20 5 GHBDMM COC(=O)c1cc([O-])c(Br)c(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001233909010 1039700890 /nfs/dbraw/zinc/70/08/90/1039700890.db2.gz ZPDPCGBRRKLDOR-SECBINFHSA-N -1 1 396.193 3.990 20 5 GHBDMM CCCCOC[C@@H](C)Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC001234747469 1040271943 /nfs/dbraw/zinc/27/19/43/1040271943.db2.gz AYUNDFDUBQRDTN-GFCCVEGCSA-N -1 1 388.416 3.950 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)c4nccs4)cc([O-])cc3oc21 ZINC001234752157 1040279825 /nfs/dbraw/zinc/27/98/25/1040279825.db2.gz VHMFDJUUFMIDNG-VIFPVBQESA-N -1 1 385.397 3.963 20 5 GHBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc4ccccc4cc3c2)cc1 ZINC001260239515 1045422843 /nfs/dbraw/zinc/42/28/43/1045422843.db2.gz ZJXWZTSQIWEIAF-UHFFFAOYSA-N -1 1 392.436 3.975 20 5 GHBDMM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001463017425 1070733113 /nfs/dbraw/zinc/73/31/13/1070733113.db2.gz JMUKIAIDJTZDCT-UHFFFAOYSA-N -1 1 380.441 3.650 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001463104392 1070796765 /nfs/dbraw/zinc/79/67/65/1070796765.db2.gz ZTVPQAPJORUEAU-HBNTYKKESA-N -1 1 376.837 3.634 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC001309471651 1050746501 /nfs/dbraw/zinc/74/65/01/1050746501.db2.gz WEGLWEWKCFVMHA-UKRRQHHQSA-N -1 1 396.415 3.796 20 5 GHBDMM Cc1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl ZINC001309525637 1050783753 /nfs/dbraw/zinc/78/37/53/1050783753.db2.gz KZNROVXOECDLLT-UHFFFAOYSA-N -1 1 389.260 3.731 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(-c2cccs2)cc1 ZINC001309662038 1050907304 /nfs/dbraw/zinc/90/73/04/1050907304.db2.gz FLEZHHBAJVAWJI-UHFFFAOYSA-N -1 1 392.433 3.941 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2c(Cl)oc3ccccc32)cc1F ZINC001309684035 1050918274 /nfs/dbraw/zinc/91/82/74/1050918274.db2.gz HAJDMFQDMYGPDC-UHFFFAOYSA-N -1 1 398.799 3.920 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(Cl)cc1Cl ZINC001309688016 1050920693 /nfs/dbraw/zinc/92/06/93/1050920693.db2.gz DAVXDKIPVXSGOF-UTLUCORTSA-N -1 1 379.265 3.616 20 5 GHBDMM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459465016 1064105569 /nfs/dbraw/zinc/10/55/69/1064105569.db2.gz GYQXIZDYTQIVOO-HNNXBMFYSA-N -1 1 379.457 3.522 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001463410022 1064323325 /nfs/dbraw/zinc/32/33/25/1064323325.db2.gz IFQKQPGRUNMOLZ-UHFFFAOYSA-N -1 1 398.799 3.655 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CCC=CCC2)c1Cl ZINC001464625074 1065118830 /nfs/dbraw/zinc/11/88/30/1065118830.db2.gz WGIPHIDKQJLAGB-UHFFFAOYSA-N -1 1 379.265 3.926 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001464731289 1065179868 /nfs/dbraw/zinc/17/98/68/1065179868.db2.gz PQRUFWVMFUNLEA-HUUCEWRRSA-N -1 1 394.880 3.795 20 5 GHBDMM C[C@]1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1(F)F ZINC000849460562 1067852018 /nfs/dbraw/zinc/85/20/18/1067852018.db2.gz DRORAOWHCZQDDZ-NSHDSACASA-N -1 1 389.207 3.615 20 5 GHBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](C)C2 ZINC001475494865 1074894474 /nfs/dbraw/zinc/89/44/74/1074894474.db2.gz HEDAMOWJEFDFGV-QGHHPUGFSA-N -1 1 398.843 3.908 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F ZINC001475616307 1074928409 /nfs/dbraw/zinc/92/84/09/1074928409.db2.gz QXSVLMHCNFHAIL-CYBMUJFWSA-N -1 1 390.795 3.841 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000823651700 599312523 /nfs/dbraw/zinc/31/25/23/599312523.db2.gz NWEDPMWKCFPLFQ-UHFFFAOYSA-N -1 1 386.677 3.634 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000823651700 599312524 /nfs/dbraw/zinc/31/25/24/599312524.db2.gz NWEDPMWKCFPLFQ-UHFFFAOYSA-N -1 1 386.677 3.634 20 5 GHBDMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263504735 604557021 /nfs/dbraw/zinc/55/70/21/604557021.db2.gz LRWNQSKBMLERRK-UHFFFAOYSA-N -1 1 397.225 3.912 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2cccs2)CCCCC1 ZINC000823620445 606712573 /nfs/dbraw/zinc/71/25/73/606712573.db2.gz LASMMNHPGXCWOX-UHFFFAOYSA-N -1 1 385.453 3.545 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2cccs2)CCCCC1 ZINC000823620445 606712575 /nfs/dbraw/zinc/71/25/75/606712575.db2.gz LASMMNHPGXCWOX-UHFFFAOYSA-N -1 1 385.453 3.545 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2cc(-c3ccccc3)ccc21 ZINC000823620460 607043528 /nfs/dbraw/zinc/04/35/28/607043528.db2.gz LFMOHFQXVHWJSB-UHFFFAOYSA-N -1 1 385.387 3.531 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2cc(-c3ccccc3)ccc21 ZINC000823620460 607043530 /nfs/dbraw/zinc/04/35/30/607043530.db2.gz LFMOHFQXVHWJSB-UHFFFAOYSA-N -1 1 385.387 3.531 20 5 GHBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536045852 834479162 /nfs/dbraw/zinc/47/91/62/834479162.db2.gz RWSISISXHNFBKO-UHFFFAOYSA-N -1 1 387.808 3.855 20 5 GHBDMM O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025146349 844041155 /nfs/dbraw/zinc/04/11/55/844041155.db2.gz XXFDYCGCUQACIW-FQEVSTJZSA-N -1 1 388.383 3.696 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000180162068 836425393 /nfs/dbraw/zinc/42/53/93/836425393.db2.gz REDGGRJBMPZPOZ-UHFFFAOYSA-N -1 1 390.339 3.911 20 5 GHBDMM CC(C)Oc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066001166 836478568 /nfs/dbraw/zinc/47/85/68/836478568.db2.gz RMKHIRZTCKUDKU-ZDUSSCGKSA-N -1 1 398.506 3.743 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000610481341 840746845 /nfs/dbraw/zinc/74/68/45/840746845.db2.gz CKTAXETUGUBGGU-UHFFFAOYSA-N -1 1 384.432 3.794 20 5 GHBDMM O=C([O-])[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC000417637089 841075689 /nfs/dbraw/zinc/07/56/89/841075689.db2.gz YQGVKPNOLCDBAP-CABCVRRESA-N -1 1 378.331 3.599 20 5 GHBDMM Cc1c(C(=O)[N-]c2nc(-c3ccsc3)ns2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000109110010 841785003 /nfs/dbraw/zinc/78/50/03/841785003.db2.gz VFGVXMFFZAJIJY-UHFFFAOYSA-N -1 1 391.390 3.644 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Oc2ccncc2)c1 ZINC000112193214 842239071 /nfs/dbraw/zinc/23/90/71/842239071.db2.gz XHQVFONAWOLVGE-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000134677248 842590574 /nfs/dbraw/zinc/59/05/74/842590574.db2.gz ROLWXWFOQLPVNC-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1C ZINC000134681391 842596876 /nfs/dbraw/zinc/59/68/76/842596876.db2.gz MNGDMNYMUVYWQN-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000150790074 842914021 /nfs/dbraw/zinc/91/40/21/842914021.db2.gz JSZTWBYENHYKFQ-UHFFFAOYSA-N -1 1 390.396 3.679 20 5 GHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1F ZINC000479539193 847712367 /nfs/dbraw/zinc/71/23/67/847712367.db2.gz GACLCFSHUGIPFO-UHFFFAOYSA-N -1 1 388.804 3.814 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(C)C)cc1F ZINC001211570161 849336544 /nfs/dbraw/zinc/33/65/44/849336544.db2.gz RGYLJYIAEVQUMO-MRXNPFEDSA-N -1 1 394.468 3.836 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505275536 850779964 /nfs/dbraw/zinc/77/99/64/850779964.db2.gz UIWWOAYJMFHQSQ-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000028260455 851313346 /nfs/dbraw/zinc/31/33/46/851313346.db2.gz MEZSBHNTMIPQQY-UHFFFAOYSA-N -1 1 392.433 3.726 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000488293656 851366088 /nfs/dbraw/zinc/36/60/88/851366088.db2.gz JTNNXCXPIGHPQT-UHFFFAOYSA-N -1 1 398.412 3.639 20 5 GHBDMM Cc1occc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000604519790 862240842 /nfs/dbraw/zinc/24/08/42/862240842.db2.gz DPWOMHKZWSDYLK-UHFFFAOYSA-N -1 1 387.417 3.909 20 5 GHBDMM CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc(Br)c1[O-] ZINC000436770954 852328640 /nfs/dbraw/zinc/32/86/40/852328640.db2.gz RGPRIRSMCHSSFG-UHFFFAOYSA-N -1 1 395.169 3.507 20 5 GHBDMM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000507309754 852770471 /nfs/dbraw/zinc/77/04/71/852770471.db2.gz AJELTAGJWFDYQY-INIZCTEOSA-N -1 1 386.795 3.807 20 5 GHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccco3)s2)cc1SC ZINC000481921391 862519193 /nfs/dbraw/zinc/51/91/93/862519193.db2.gz ORDLICKEOZYCPC-UHFFFAOYSA-N -1 1 392.418 3.689 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CC[C@@H](F)C1 ZINC000588842426 854543529 /nfs/dbraw/zinc/54/35/29/854543529.db2.gz BIQUUHIGBXBFAL-TZMCWYRMSA-N -1 1 379.413 3.698 20 5 GHBDMM C[C@@H]1CN(Cc2ccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000572527787 854863532 /nfs/dbraw/zinc/86/35/32/854863532.db2.gz MFEZCTMWNUMGIY-HUUCEWRRSA-N -1 1 399.447 3.514 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c1 ZINC000542729938 855578733 /nfs/dbraw/zinc/57/87/33/855578733.db2.gz XJELMOZFMGJRFX-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)s1 ZINC000507879590 856619993 /nfs/dbraw/zinc/61/99/93/856619993.db2.gz KTGVGXGBOPZQRL-UHFFFAOYSA-N -1 1 394.396 3.586 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000733317999 862856080 /nfs/dbraw/zinc/85/60/80/862856080.db2.gz AXPROOSIVOWNBV-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM CCSc1nnc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 ZINC000482269342 862866802 /nfs/dbraw/zinc/86/68/02/862866802.db2.gz LIIUXPZAUHDCIP-UHFFFAOYSA-N -1 1 386.480 3.541 20 5 GHBDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000315481251 858839294 /nfs/dbraw/zinc/83/92/94/858839294.db2.gz LFBIPOVYRPJBOY-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000611282536 859681591 /nfs/dbraw/zinc/68/15/91/859681591.db2.gz FDFWYLITHQRKRN-UHFFFAOYSA-N -1 1 396.443 3.961 20 5 GHBDMM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000484236767 859892386 /nfs/dbraw/zinc/89/23/86/859892386.db2.gz VMZRDLRATNSIAV-UHFFFAOYSA-N -1 1 382.413 3.506 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000728149290 860403966 /nfs/dbraw/zinc/40/39/66/860403966.db2.gz COUDTXDGSZKDGQ-UHFFFAOYSA-N -1 1 378.175 3.939 20 5 GHBDMM Cc1ccnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-] ZINC000301401485 860471647 /nfs/dbraw/zinc/47/16/47/860471647.db2.gz CGOZCVJDDODNJS-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609198107 881637322 /nfs/dbraw/zinc/63/73/22/881637322.db2.gz PZJYFHJZUAWNAW-UHFFFAOYSA-N -1 1 398.868 3.556 20 5 GHBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000736061421 865118188 /nfs/dbraw/zinc/11/81/88/865118188.db2.gz BDZBXYSTPSPXCG-QMMMGPOBSA-N -1 1 386.788 3.512 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000736340768 865183953 /nfs/dbraw/zinc/18/39/53/865183953.db2.gz NQMMEEMKXMJHDN-QMMMGPOBSA-N -1 1 376.768 3.566 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000739978553 865819049 /nfs/dbraw/zinc/81/90/49/865819049.db2.gz YDGIUQNYYVHPNO-UHFFFAOYSA-N -1 1 396.852 3.516 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444390511 866056640 /nfs/dbraw/zinc/05/66/40/866056640.db2.gz GNIVQVGDNXJBPG-UHFFFAOYSA-N -1 1 397.431 3.924 20 5 GHBDMM Cc1nc(-c2ccc([C@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)cs1 ZINC000444853464 867338662 /nfs/dbraw/zinc/33/86/62/867338662.db2.gz FFXQNWHFBBMNTJ-JTQLQIEISA-N -1 1 384.417 3.618 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCCC1 ZINC000742632673 867443486 /nfs/dbraw/zinc/44/34/86/867443486.db2.gz ISWMAFJZQUFRAU-UHFFFAOYSA-N -1 1 382.388 3.621 20 5 GHBDMM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444981030 867574763 /nfs/dbraw/zinc/57/47/63/867574763.db2.gz DMGYSOOJXMNGDA-HZMBPMFUSA-N -1 1 395.337 3.938 20 5 GHBDMM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000115583937 882532141 /nfs/dbraw/zinc/53/21/41/882532141.db2.gz ZJPLFCMFOIAAEM-HNNXBMFYSA-N -1 1 383.857 3.627 20 5 GHBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2)n1 ZINC000541805132 874322138 /nfs/dbraw/zinc/32/21/38/874322138.db2.gz TZVSCBARONJIPR-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000451051390 877282065 /nfs/dbraw/zinc/28/20/65/877282065.db2.gz RVSCOFIXQCRXHQ-UHFFFAOYSA-N -1 1 391.449 3.553 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1[N+](=O)[O-] ZINC000493136453 878564109 /nfs/dbraw/zinc/56/41/09/878564109.db2.gz YXVAGKKNMLSROA-UHFFFAOYSA-N -1 1 389.477 3.736 20 5 GHBDMM CSc1cc2c(cc1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)c1F)OCCO2 ZINC000790419284 879700322 /nfs/dbraw/zinc/70/03/22/879700322.db2.gz BQXJMPATQHZTNS-UHFFFAOYSA-N -1 1 378.381 3.788 20 5 GHBDMM Cc1ccccc1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809388809 887364463 /nfs/dbraw/zinc/36/44/63/887364463.db2.gz ZPYOOCYEGBLDRX-UHFFFAOYSA-N -1 1 375.233 3.689 20 5 GHBDMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000533327187 890280399 /nfs/dbraw/zinc/28/03/99/890280399.db2.gz ZSQVUQGHEHVAOD-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1cc2cc(C[N-]S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000815044787 893359238 /nfs/dbraw/zinc/35/92/38/893359238.db2.gz IXOQMXARNRXDCH-UHFFFAOYSA-N -1 1 397.815 3.656 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000824059560 899366221 /nfs/dbraw/zinc/36/62/21/899366221.db2.gz XEZCEJGTNGWIOP-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])c([O-])c4)C3)[nH]c2c1 ZINC000067158776 901042351 /nfs/dbraw/zinc/04/23/51/901042351.db2.gz MEDLICDYNHSNRQ-CQSZACIVSA-N -1 1 380.404 3.505 20 5 GHBDMM CSc1ncc(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(=O)[n-]1 ZINC001146334987 903496326 /nfs/dbraw/zinc/49/63/26/903496326.db2.gz CZLMPNRATPPIDD-UHFFFAOYSA-N -1 1 398.400 3.857 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4[O-])C3)[nH]c2c1 ZINC000185474928 907778331 /nfs/dbraw/zinc/77/83/31/907778331.db2.gz VROUDOGKSCUZTG-CYBMUJFWSA-N -1 1 380.404 3.505 20 5 GHBDMM CSc1cc(C)ccc1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001188156793 915810531 /nfs/dbraw/zinc/81/05/31/915810531.db2.gz OSZVYRUEHDTUTE-UHFFFAOYSA-N -1 1 384.454 3.551 20 5 GHBDMM Cc1ccc2cccc(-c3noc(-c4n[n-]c(C(F)(F)F)c4[N+](=O)[O-])n3)c2n1 ZINC001212972953 916164496 /nfs/dbraw/zinc/16/44/96/916164496.db2.gz NZCOTZJZRSJVQO-UHFFFAOYSA-N -1 1 390.281 3.910 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc2c(c1)CCC2 ZINC001188824282 916232797 /nfs/dbraw/zinc/23/27/97/916232797.db2.gz XWNMZAGWZHSNFM-SNVBAGLBSA-N -1 1 398.843 3.916 20 5 GHBDMM COc1cc(C(=O)Nc2cc3nc4ccccc4nc3cc2N)cc(Cl)c1[O-] ZINC001191146087 917813926 /nfs/dbraw/zinc/81/39/26/917813926.db2.gz ARIVYNINFRZXGI-UHFFFAOYSA-N -1 1 394.818 3.985 20 5 GHBDMM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725840944 926465301 /nfs/dbraw/zinc/46/53/01/926465301.db2.gz UFDXWQMEAYKRBK-AWEZNQCLSA-N -1 1 396.852 3.613 20 5 GHBDMM CSCCCN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000558608098 932105452 /nfs/dbraw/zinc/10/54/52/932105452.db2.gz GVZZRTFKINIPOU-UHFFFAOYSA-N -1 1 395.506 3.585 20 5 GHBDMM CCCOc1cc([N-]C(=O)c2ncc(Cl)cn2)c([N+](=O)[O-])cc1OCCC ZINC001124538445 935407815 /nfs/dbraw/zinc/40/78/15/935407815.db2.gz CXNQIOFZUXGTNS-UHFFFAOYSA-N -1 1 394.815 3.868 20 5 GHBDMM CC(C)(C)Oc1ccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001590407836 989937145 /nfs/dbraw/zinc/93/71/45/989937145.db2.gz BHQSMIYXKURGHX-UHFFFAOYSA-N -1 1 388.420 3.525 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599462360 998295904 /nfs/dbraw/zinc/29/59/04/998295904.db2.gz ONJWCYYUZVMYQI-OAHLLOKOSA-N -1 1 384.310 3.538 20 5 GHBDMM COC(C[C@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-])OC ZINC001227702979 1032522926 /nfs/dbraw/zinc/52/29/26/1032522926.db2.gz RKENIOKPKQXPOI-ZDUSSCGKSA-N -1 1 389.404 3.616 20 5 GHBDMM CCCOC(=O)[C@@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227702739 1032522981 /nfs/dbraw/zinc/52/29/81/1032522981.db2.gz QQTDDCFZUFJJLJ-CYBMUJFWSA-N -1 1 387.388 3.560 20 5 GHBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)n1 ZINC001155989682 1032823512 /nfs/dbraw/zinc/82/35/12/1032823512.db2.gz BKIPZEJBKILMFQ-UHFFFAOYSA-N -1 1 393.428 3.549 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ccnn2-c2ccccc2Br)ccc1[O-] ZINC001210396773 1027488745 /nfs/dbraw/zinc/48/87/45/1027488745.db2.gz ZYXIMUHQLBXALV-UHFFFAOYSA-N -1 1 375.182 3.992 20 5 GHBDMM CSc1nc(Br)c(Nc2ccc([O-])c([N+](=O)[O-])c2)n2ccnc12 ZINC001210395689 1027488903 /nfs/dbraw/zinc/48/89/03/1027488903.db2.gz BJGXGIJVOVOAEM-UHFFFAOYSA-N -1 1 396.226 3.571 20 5 GHBDMM Cc1nc2ccccc2c(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)c1[O-] ZINC001149198536 1030089203 /nfs/dbraw/zinc/08/92/03/1030089203.db2.gz WNNVOTNSAPHZQV-UHFFFAOYSA-N -1 1 395.418 3.939 20 5 GHBDMM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1[N+](=O)[O-] ZINC001219673571 1031550521 /nfs/dbraw/zinc/55/05/21/1031550521.db2.gz OMHSOTSNGXPHJQ-CYBMUJFWSA-N -1 1 381.392 3.677 20 5 GHBDMM CCC[C@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC001226322438 1031915666 /nfs/dbraw/zinc/91/56/66/1031915666.db2.gz DCSNZDDSQPIHFJ-HNNXBMFYSA-N -1 1 390.392 3.801 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001229749550 1033683054 /nfs/dbraw/zinc/68/30/54/1033683054.db2.gz DDKRMCZBGNVDDR-NFAWXSAZSA-N -1 1 378.425 3.776 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001229751199 1033686215 /nfs/dbraw/zinc/68/62/15/1033686215.db2.gz SFQJQPTVDIWOID-LPHOPBHVSA-N -1 1 378.425 3.777 20 5 GHBDMM CCOC(=O)[C@H](C)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233497042 1039391718 /nfs/dbraw/zinc/39/17/18/1039391718.db2.gz DLXONGBDOCVOTD-KSBSHMNSSA-N -1 1 395.721 3.633 20 5 GHBDMM C[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233498291 1039393257 /nfs/dbraw/zinc/39/32/57/1039393257.db2.gz LLRZACMIOGOBCB-SECBINFHSA-N -1 1 396.831 3.759 20 5 GHBDMM O=c1c2c(O[C@@H]3CCOc4ccccc43)cc([O-])cc2oc2c(O)ccc(O)c12 ZINC001234123657 1039864076 /nfs/dbraw/zinc/86/40/76/1039864076.db2.gz GEOPFKUFZXZEGT-MRXNPFEDSA-N -1 1 392.363 3.966 20 5 GHBDMM CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(O[C@H](C)C(C)=O)c1[O-] ZINC001234333398 1039972027 /nfs/dbraw/zinc/97/20/27/1039972027.db2.gz ZSAKZTIYCOQQEF-GFCCVEGCSA-N -1 1 398.411 3.928 20 5 GHBDMM CCOC(=O)[C@@H](CC(C)C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743958 1040270135 /nfs/dbraw/zinc/27/01/35/1040270135.db2.gz IEIXQZAYDRESBE-GOSISDBHSA-N -1 1 386.400 3.714 20 5 GHBDMM COc1ccc([C@@H](C)Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)cn1 ZINC001234744364 1040270420 /nfs/dbraw/zinc/27/04/20/1040270420.db2.gz LNIMKSRBSUZDSA-LLVKDONJSA-N -1 1 379.368 3.901 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(OC[C@@H]4CCC(C)(C)O4)cc([O-])cc3oc21 ZINC001234747438 1040271731 /nfs/dbraw/zinc/27/17/31/1040271731.db2.gz ATSIBQWBNVZSMF-LBPRGKRZSA-N -1 1 386.400 3.702 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3COc4ccccc4O3)c12 ZINC001234748614 1040273572 /nfs/dbraw/zinc/27/35/72/1040273572.db2.gz UIONNDZELHZXGJ-CYBMUJFWSA-N -1 1 392.363 3.576 20 5 GHBDMM CC1(C)CC(=O)CC[C@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750264 1040278221 /nfs/dbraw/zinc/27/82/21/1040278221.db2.gz IQRVNNIAYGUIST-MRXNPFEDSA-N -1 1 384.384 3.590 20 5 GHBDMM CCCCOC[C@H](C)Oc1cc2c(=O)c3c(OC)cc([O-])cc3oc2cc1O ZINC001234802524 1040334360 /nfs/dbraw/zinc/33/43/60/1040334360.db2.gz YRAALRPJAUNIPL-LBPRGKRZSA-N -1 1 388.416 3.950 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001234878244 1040393061 /nfs/dbraw/zinc/39/30/61/1040393061.db2.gz UJMSBRBFRDQDGX-XHDPSFHLSA-N -1 1 388.214 3.518 20 5 GHBDMM CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001303928681 1047535988 /nfs/dbraw/zinc/53/59/88/1047535988.db2.gz FGJHHCHOONXJCI-NSHDSACASA-N -1 1 395.337 3.521 20 5 GHBDMM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3cc(F)c(C)cc3[N+](=O)[O-])cc2c1C ZINC001309108568 1050362346 /nfs/dbraw/zinc/36/23/46/1050362346.db2.gz NZXSNLLKUOHNBP-UHFFFAOYSA-N -1 1 391.424 3.619 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)cc1Cl ZINC001328851439 1050659283 /nfs/dbraw/zinc/65/92/83/1050659283.db2.gz NEKNGECRSJJZFV-INIZCTEOSA-N -1 1 399.831 3.602 20 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GHBDMM O=C([N-]c1cc2c(=O)[nH]cnc2cc1F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448136635 872925758 /nfs/dbraw/zinc/92/57/58/872925758.db2.gz IBVCECPWZHUUMD-UHFFFAOYSA-N -1 1 396.256 3.654 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc([N+](=O)[O-])c1F ZINC000768263838 873196063 /nfs/dbraw/zinc/19/60/63/873196063.db2.gz XBWAUQLOSRYKDN-UHFFFAOYSA-N -1 1 393.440 3.833 20 5 GHBDMM COc1ccc2oc([C@H](C)[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c(C)c2c1 ZINC000768838993 873619494 /nfs/dbraw/zinc/61/94/94/873619494.db2.gz ZQHIDNDIZLRMHY-JTQLQIEISA-N -1 1 396.446 3.759 20 5 GHBDMM C[C@@H]1C[C@H](C)N(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000465052997 875026844 /nfs/dbraw/zinc/02/68/44/875026844.db2.gz GRUNREVAJUYNFL-KGLIPLIRSA-N -1 1 375.450 3.630 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000776785806 880256299 /nfs/dbraw/zinc/25/62/99/880256299.db2.gz QDKMISGHFZNKJB-SECBINFHSA-N -1 1 397.865 3.897 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000032444861 886541149 /nfs/dbraw/zinc/54/11/49/886541149.db2.gz UDFVAOAMRUMVDU-LBPRGKRZSA-N -1 1 384.866 3.764 20 5 GHBDMM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)S1 ZINC000915840224 887688745 /nfs/dbraw/zinc/68/87/45/887688745.db2.gz XHUBJWQZKSGQPZ-MHWRWJLKSA-N -1 1 392.396 3.771 20 5 GHBDMM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000809814538 887824747 /nfs/dbraw/zinc/82/47/47/887824747.db2.gz PMUIUQKRQTYAFA-ZETCQYMHSA-N -1 1 396.277 3.706 20 5 GHBDMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832432 890017838 /nfs/dbraw/zinc/01/78/38/890017838.db2.gz QAHKJCMWKAHUBA-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM CCC(=O)c1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000795119810 890353679 /nfs/dbraw/zinc/35/36/79/890353679.db2.gz HQIZKBLOOUKZAF-UHFFFAOYSA-N -1 1 382.416 3.992 20 5 GHBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000918193384 893338908 /nfs/dbraw/zinc/33/89/08/893338908.db2.gz CFAMCCOZGINSGW-MRXNPFEDSA-N -1 1 384.404 3.939 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC000815016223 893340855 /nfs/dbraw/zinc/34/08/55/893340855.db2.gz UWEJZKFIBMSHDX-UHFFFAOYSA-N -1 1 378.834 3.662 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000536699670 893573404 /nfs/dbraw/zinc/57/34/04/893573404.db2.gz JJXVQIIOHRETMG-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1C ZINC000130540621 897134715 /nfs/dbraw/zinc/13/47/15/897134715.db2.gz TYMSCKKHPQAUGL-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM Cc1cc(N2CCN([C@H](C)c3ccsc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568869222 898177756 /nfs/dbraw/zinc/17/77/56/898177756.db2.gz RLFJCYSPOVNQSI-CYBMUJFWSA-N -1 1 375.450 3.546 20 5 GHBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001137237210 901388397 /nfs/dbraw/zinc/38/83/97/901388397.db2.gz SSKLTALPQFVBTK-GOSISDBHSA-N -1 1 381.363 3.696 20 5 GHBDMM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(/C=C/[N+](=O)[O-])cc2)c1 ZINC001175902723 907819729 /nfs/dbraw/zinc/81/97/29/907819729.db2.gz GXXWSYFFGMBLBK-VOTSOKGWSA-N -1 1 393.193 3.932 20 5 GHBDMM CN(CCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000779596588 907835794 /nfs/dbraw/zinc/83/57/94/907835794.db2.gz IQGLBFYPXQSBHO-UHFFFAOYSA-N -1 1 393.484 3.769 20 5 GHBDMM Cc1cccc(NC(=O)[C@@H](OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C(C)C)c1C ZINC000780074129 921705187 /nfs/dbraw/zinc/70/51/87/921705187.db2.gz CNDCSJCHOISNJD-SFHVURJKSA-N -1 1 386.404 3.737 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC001187801361 915521994 /nfs/dbraw/zinc/52/19/94/915521994.db2.gz RCUGOOJPUZUAJV-QWRGUYRKSA-N -1 1 398.378 3.689 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc4cnccc4c3)no2)n[n-]c1C(F)(F)F ZINC001212972942 916164272 /nfs/dbraw/zinc/16/42/72/916164272.db2.gz NBQVOLADIMUOSX-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc4c3CCCC4)no2)n[n-]c1C(F)(F)F ZINC001212973374 916169333 /nfs/dbraw/zinc/16/93/33/916169333.db2.gz YUECJNCMJXZERG-UHFFFAOYSA-N -1 1 379.298 3.933 20 5 GHBDMM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001191311517 917878653 /nfs/dbraw/zinc/87/86/53/917878653.db2.gz IDXUAJGYDRUMTG-DGCLKSJQSA-N -1 1 397.280 3.528 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1Cl ZINC000748645971 923772489 /nfs/dbraw/zinc/77/24/89/923772489.db2.gz DWBHNOGFXMSDFX-UHFFFAOYSA-N -1 1 392.767 3.693 20 5 GHBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1Cc1ccc(F)c(F)c1F ZINC000410376969 925583561 /nfs/dbraw/zinc/58/35/61/925583561.db2.gz XJJGSGQUIMEHBN-UHFFFAOYSA-N -1 1 396.350 3.948 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000374529585 927249767 /nfs/dbraw/zinc/24/97/67/927249767.db2.gz JKYSWAGWNQXPGV-UHFFFAOYSA-N -1 1 376.419 3.826 20 5 GHBDMM Cc1cc([C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000758480420 930058293 /nfs/dbraw/zinc/05/82/93/930058293.db2.gz CYMSIJHKRKIMDW-MRXNPFEDSA-N -1 1 382.388 3.611 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H]1CCC=CO1 ZINC000780618449 930561509 /nfs/dbraw/zinc/56/15/09/930561509.db2.gz DZGSQSFZLAXUTI-OAHLLOKOSA-N -1 1 389.433 3.500 20 5 GHBDMM CCOCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC001116280735 933453904 /nfs/dbraw/zinc/45/39/04/933453904.db2.gz ZNFSGGBMMPECNN-UHFFFAOYSA-N -1 1 384.841 3.894 20 5 GHBDMM CCOc1ccc(Cl)cc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597106812 986751053 /nfs/dbraw/zinc/75/10/53/986751053.db2.gz STHPDNSRYOBNSN-SFHVURJKSA-N -1 1 378.812 3.737 20 5 GHBDMM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001599654903 994562068 /nfs/dbraw/zinc/56/20/68/994562068.db2.gz BTJMOKJGEPWTCW-GOSISDBHSA-N -1 1 378.812 3.737 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228185933 1032829352 /nfs/dbraw/zinc/82/93/52/1032829352.db2.gz MCIQUBVFIXNSKZ-ZDUSSCGKSA-N -1 1 381.388 3.504 20 5 GHBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000836835504 1023397629 /nfs/dbraw/zinc/39/76/29/1023397629.db2.gz FFHWRBXOLLPWCI-HNNXBMFYSA-N -1 1 384.436 3.542 20 5 GHBDMM COc1ccccc1OC[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859662 1033143045 /nfs/dbraw/zinc/14/30/45/1033143045.db2.gz MQZOMJOSYAEZQT-VIFPVBQESA-N -1 1 388.298 3.569 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(Cl)cc1Cl ZINC001211296043 1027897661 /nfs/dbraw/zinc/89/76/61/1027897661.db2.gz VFVWOHQEHFYBJE-QPJJXVBHSA-N -1 1 387.244 3.893 20 5 GHBDMM O=c1cc[n-]c(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC001225667080 1031532678 /nfs/dbraw/zinc/53/26/78/1031532678.db2.gz PACBCBFGFDBEDI-UHFFFAOYSA-N -1 1 383.326 3.762 20 5 GHBDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229802883 1033727832 /nfs/dbraw/zinc/72/78/32/1033727832.db2.gz MCEMKVSPJXJNPU-RDTXWAMCSA-N -1 1 398.411 3.858 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC23CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC001231259408 1034489813 /nfs/dbraw/zinc/48/98/13/1034489813.db2.gz KSXXERXENHNLJS-CQSZACIVSA-N -1 1 393.440 3.562 20 5 GHBDMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001234607073 1040163186 /nfs/dbraw/zinc/16/31/86/1040163186.db2.gz WXBFUJVKBJRRAV-KRWDZBQOSA-N -1 1 398.346 3.790 20 5 GHBDMM CCOc1cc([N-]C(=O)c2cc(C(C)(C)C)on2)c([N+](=O)[O-])cc1OCC ZINC001318688274 1054797262 /nfs/dbraw/zinc/79/72/62/1054797262.db2.gz UQSHEWLFGCXNGY-UHFFFAOYSA-N -1 1 377.397 3.930 20 5 GHBDMM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c[n-]c2ccccc2c1=O ZINC001339433471 1059207104 /nfs/dbraw/zinc/20/71/04/1059207104.db2.gz GMPLDSFIFLCCKK-UHFFFAOYSA-N -1 1 392.396 3.812 20 5 GHBDMM Cc1cccc(COc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)c1 ZINC001457748280 1063343075 /nfs/dbraw/zinc/34/30/75/1063343075.db2.gz VCLHPTIPEJAICY-UHFFFAOYSA-N -1 1 393.399 3.513 20 5 GHBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001465534848 1065696920 /nfs/dbraw/zinc/69/69/20/1065696920.db2.gz VFDNBWYOPOHUHS-IRXDYDNUSA-N -1 1 391.468 3.676 20 5 GHBDMM O=C(Nc1cccc(O)c1Br)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001468253815 1067653692 /nfs/dbraw/zinc/65/36/92/1067653692.db2.gz FYESKSKHHRDDTI-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM CCc1nc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[n-]c(=O)c1C ZINC000849921544 1068002206 /nfs/dbraw/zinc/00/22/06/1068002206.db2.gz PCBZTNHSDNDPEX-VIFPVBQESA-N -1 1 396.856 3.734 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2Cl)cc1Cl ZINC001474894909 1074617475 /nfs/dbraw/zinc/61/74/75/1074617475.db2.gz JVWSDFJVDYWJRJ-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C)c3ccccc23)cc1F ZINC001475395114 1074859441 /nfs/dbraw/zinc/85/94/41/1074859441.db2.gz FGOFWWJIYPWKQM-UHFFFAOYSA-N -1 1 388.420 3.982 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2cccc(Oc3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000738374570 599324759 /nfs/dbraw/zinc/32/47/59/599324759.db2.gz QOUARVBWICYMAM-UHFFFAOYSA-N -1 1 376.332 3.755 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2cccc(Oc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000738374570 599324762 /nfs/dbraw/zinc/32/47/62/599324762.db2.gz QOUARVBWICYMAM-UHFFFAOYSA-N -1 1 376.332 3.755 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000826498556 607449186 /nfs/dbraw/zinc/44/91/86/607449186.db2.gz AHYKHMTWWOPKLX-OAHLLOKOSA-N -1 1 393.432 3.726 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000826498556 607449187 /nfs/dbraw/zinc/44/91/87/607449187.db2.gz AHYKHMTWWOPKLX-OAHLLOKOSA-N -1 1 393.432 3.726 20 5 GHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000824657661 607449594 /nfs/dbraw/zinc/44/95/94/607449594.db2.gz RYJBNDFGMBBIER-VIFPVBQESA-N -1 1 376.323 3.549 20 5 GHBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824657661 607449595 /nfs/dbraw/zinc/44/95/95/607449595.db2.gz RYJBNDFGMBBIER-VIFPVBQESA-N -1 1 376.323 3.549 20 5 GHBDMM O=C([O-])[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000833165245 604788703 /nfs/dbraw/zinc/78/87/03/604788703.db2.gz HAPWCACEJNRICG-AWEZNQCLSA-N -1 1 399.628 3.926 20 5 GHBDMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032590696 835720584 /nfs/dbraw/zinc/72/05/84/835720584.db2.gz GJLVSAYEDALWEM-UHFFFAOYSA-N -1 1 375.450 3.613 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)[nH]n2)c1 ZINC000535894728 836592239 /nfs/dbraw/zinc/59/22/39/836592239.db2.gz HJZMXQPRKFQSFC-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000467066159 837018111 /nfs/dbraw/zinc/01/81/11/837018111.db2.gz UEFOVKYSYPRGPY-ZJUUUORDSA-N -1 1 386.417 3.612 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1 ZINC000549345716 838040528 /nfs/dbraw/zinc/04/05/28/838040528.db2.gz PBVQKEXMPDPTLP-UHFFFAOYSA-N -1 1 392.824 3.773 20 5 GHBDMM O=C(c1ccc(Br)c([O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135274251 842359543 /nfs/dbraw/zinc/35/95/43/842359543.db2.gz BWEHVONLNGYLQZ-UHFFFAOYSA-N -1 1 391.221 3.868 20 5 GHBDMM COc1cccc(SC)c1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000891852571 843345920 /nfs/dbraw/zinc/34/59/20/843345920.db2.gz UXLMIMLNWZXMCI-UHFFFAOYSA-N -1 1 390.417 3.739 20 5 GHBDMM CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)cc1 ZINC000604035549 861653162 /nfs/dbraw/zinc/65/31/62/861653162.db2.gz XNRUKZZVUGHXOD-UHFFFAOYSA-N -1 1 394.387 3.826 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000487125112 850461193 /nfs/dbraw/zinc/46/11/93/850461193.db2.gz XMWHGGODMJKGKJ-HNNXBMFYSA-N -1 1 398.893 3.557 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000518660577 853620957 /nfs/dbraw/zinc/62/09/57/853620957.db2.gz YELSAMGAXAOQKX-ZDUSSCGKSA-N -1 1 380.853 3.647 20 5 GHBDMM C[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])[C@H]1C ZINC000301478179 855120597 /nfs/dbraw/zinc/12/05/97/855120597.db2.gz CGTKWJPSWJZFFR-KGLIPLIRSA-N -1 1 375.450 3.630 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001211866063 855387468 /nfs/dbraw/zinc/38/74/68/855387468.db2.gz YHLNCNPGGCHWJA-HZPDHXFCSA-N -1 1 392.452 3.986 20 5 GHBDMM C[C@H]1SCC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000591997483 856563214 /nfs/dbraw/zinc/56/32/14/856563214.db2.gz DDHLFSTYSGSXTC-IUODEOHRSA-N -1 1 393.490 3.702 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000066413183 858110539 /nfs/dbraw/zinc/11/05/39/858110539.db2.gz QSKLZOKFUHBTNE-UHFFFAOYSA-N -1 1 376.419 3.744 20 5 GHBDMM C[C@@]1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1(F)F ZINC000596476759 858907066 /nfs/dbraw/zinc/90/70/66/858907066.db2.gz KIWNFYNKXZIBPJ-INIZCTEOSA-N -1 1 397.403 3.853 20 5 GHBDMM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccccc1 ZINC000020462160 860579823 /nfs/dbraw/zinc/57/98/23/860579823.db2.gz JIXUFEYCFNZRQL-UHFFFAOYSA-N -1 1 387.373 3.740 20 5 GHBDMM C[C@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000603474634 860736500 /nfs/dbraw/zinc/73/65/00/860736500.db2.gz XLJUXDYRYNVUBH-AWEZNQCLSA-N -1 1 375.450 3.632 20 5 GHBDMM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000157161908 861065359 /nfs/dbraw/zinc/06/53/59/861065359.db2.gz AYMPZLJVESBFBK-UHFFFAOYSA-N -1 1 378.450 3.757 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000172182140 863330587 /nfs/dbraw/zinc/33/05/87/863330587.db2.gz JQKNPGDYJFWTQY-UHFFFAOYSA-N -1 1 376.221 3.593 20 5 GHBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444376835 866019304 /nfs/dbraw/zinc/01/93/04/866019304.db2.gz UXUZJTBLGGCMDC-UHFFFAOYSA-N -1 1 397.431 3.544 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000857252418 882145282 /nfs/dbraw/zinc/14/52/82/882145282.db2.gz PXZBSQIDNKZLOL-UHFFFAOYSA-N -1 1 379.394 3.537 20 5 GHBDMM CSCC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC001192352902 870312477 /nfs/dbraw/zinc/31/24/77/870312477.db2.gz BBGNDWMFXGHODJ-UHFFFAOYSA-N -1 1 399.321 3.713 20 5 GHBDMM CCN(CC)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC000540168152 870650528 /nfs/dbraw/zinc/65/05/28/870650528.db2.gz FTXYBEQEZPLOSH-MRXNPFEDSA-N -1 1 391.855 3.767 20 5 GHBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463172336 871081505 /nfs/dbraw/zinc/08/15/05/871081505.db2.gz MQGXJGDLUAFUQI-UHFFFAOYSA-N -1 1 395.322 3.779 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001193556452 871183909 /nfs/dbraw/zinc/18/39/09/871183909.db2.gz NPJGDQSPHBXYCI-HUUCEWRRSA-N -1 1 380.853 3.863 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447262030 871278904 /nfs/dbraw/zinc/27/89/04/871278904.db2.gz BRYPVCXSWHADPN-UHFFFAOYSA-N -1 1 392.364 3.803 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000463440536 871695810 /nfs/dbraw/zinc/69/58/10/871695810.db2.gz GBLQYRPLYJHWBQ-UHFFFAOYSA-N -1 1 388.449 3.943 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc([N+](=O)[O-])c1F ZINC000768266997 873197714 /nfs/dbraw/zinc/19/77/14/873197714.db2.gz ZTGLIULHDFYMOP-UHFFFAOYSA-N -1 1 382.413 3.939 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc([N+](=O)[O-])c1F ZINC000768280124 873230929 /nfs/dbraw/zinc/23/09/29/873230929.db2.gz QVFXDEAJHUHOPG-UHFFFAOYSA-N -1 1 392.330 3.948 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000921294241 882816724 /nfs/dbraw/zinc/81/67/24/882816724.db2.gz GRIHRYVHNYEJAR-UHFFFAOYSA-N -1 1 393.440 3.697 20 5 GHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549926680 875909063 /nfs/dbraw/zinc/90/90/63/875909063.db2.gz PVIZMEZGLZBIFZ-UHFFFAOYSA-N -1 1 384.295 3.977 20 5 GHBDMM CCOc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000492243892 876501432 /nfs/dbraw/zinc/50/14/32/876501432.db2.gz XTKAMOPXOYJVSM-UHFFFAOYSA-N -1 1 375.328 3.800 20 5 GHBDMM CCOC(=O)/C(=C/c1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cn1 ZINC000791427957 880428056 /nfs/dbraw/zinc/42/80/56/880428056.db2.gz LFBBVHLNAMZASN-KPKJPENVSA-N -1 1 393.193 3.562 20 5 GHBDMM CC(C)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1-c1cccc(F)c1 ZINC000117578508 884786897 /nfs/dbraw/zinc/78/68/97/884786897.db2.gz JZJPEMLJELHMHO-UHFFFAOYSA-N -1 1 387.346 3.829 20 5 GHBDMM CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001170526554 885535363 /nfs/dbraw/zinc/53/53/63/885535363.db2.gz RRLMFWXEUUGDIM-CQSZACIVSA-N -1 1 398.246 3.640 20 5 GHBDMM COc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c([N+](=O)[O-])cc1F ZINC001131535124 887024491 /nfs/dbraw/zinc/02/44/91/887024491.db2.gz YGDZFWINADUOCH-SNAWJCMRSA-N -1 1 390.352 3.610 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cccc(F)c1F ZINC000809830249 887884159 /nfs/dbraw/zinc/88/41/59/887884159.db2.gz PXCHXDOYHCVSNW-SSDOTTSWSA-N -1 1 394.758 3.705 20 5 GHBDMM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)ccc1F ZINC001185030094 913609680 /nfs/dbraw/zinc/60/96/80/913609680.db2.gz MDYAOMRBZQZDJS-UHFFFAOYSA-N -1 1 393.223 3.828 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1C ZINC000497910846 892668985 /nfs/dbraw/zinc/66/89/85/892668985.db2.gz APLQSRLWOZFDDX-UHFFFAOYSA-N -1 1 382.413 3.939 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)ccc1[N+](=O)[O-] ZINC000217217258 893200407 /nfs/dbraw/zinc/20/04/07/893200407.db2.gz QHHLPAFBNFIHRV-UHFFFAOYSA-N -1 1 375.450 3.613 20 5 GHBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000563114979 893370297 /nfs/dbraw/zinc/37/02/97/893370297.db2.gz SMVKVWSYLUJUCO-UHFFFAOYSA-N -1 1 391.449 3.553 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000760335952 895210160 /nfs/dbraw/zinc/21/01/60/895210160.db2.gz CMYLWFKOEFDLMA-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1-c1ccccc1Cl ZINC000129943045 896936070 /nfs/dbraw/zinc/93/60/70/896936070.db2.gz OREBDZCQSILAFK-UHFFFAOYSA-N -1 1 389.774 3.783 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)cc1[N+](=O)[O-] ZINC000821097670 897741395 /nfs/dbraw/zinc/74/13/95/897741395.db2.gz VOJPROAUWPVODI-UHFFFAOYSA-N -1 1 383.838 3.967 20 5 GHBDMM Cc1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)ccc1[N+](=O)[O-] ZINC000800150398 898667860 /nfs/dbraw/zinc/66/78/60/898667860.db2.gz NWQYVDGNTPYRCG-UHFFFAOYSA-N -1 1 385.254 3.804 20 5 GHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC000800150912 898669593 /nfs/dbraw/zinc/66/95/93/898669593.db2.gz GDQWZQSSPRUASY-UHFFFAOYSA-N -1 1 376.344 3.952 20 5 GHBDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778786694 899798892 /nfs/dbraw/zinc/79/88/92/899798892.db2.gz BFBOGFGEVYYGCZ-ZDUSSCGKSA-N -1 1 392.433 3.583 20 5 GHBDMM CC(C)Oc1cccc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000885371215 900474914 /nfs/dbraw/zinc/47/49/14/900474914.db2.gz XCXWQNGSQHHZKR-GFCCVEGCSA-N -1 1 382.413 3.561 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(c4ccc(CC(=O)[O-])cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000844209808 900603926 /nfs/dbraw/zinc/60/39/26/900603926.db2.gz VFWWORBAKJRSAE-OAHLLOKOSA-N -1 1 394.431 3.791 20 5 GHBDMM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303293811 914578037 /nfs/dbraw/zinc/57/80/37/914578037.db2.gz NCRKOLHJHXTKBR-NSHDSACASA-N -1 1 398.444 3.927 20 5 GHBDMM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000265328065 903808637 /nfs/dbraw/zinc/80/86/37/903808637.db2.gz LEBICTZOZJWVME-AREMUKBSSA-N -1 1 375.450 3.757 20 5 GHBDMM CCc1cc2c(COC(=O)c3cccc(C)c3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000005228127 914773821 /nfs/dbraw/zinc/77/38/21/914773821.db2.gz MWYDCMQBCBKRJM-UHFFFAOYSA-N -1 1 383.356 3.635 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000578758484 904104214 /nfs/dbraw/zinc/10/42/14/904104214.db2.gz DDHBKQOBZFMVGC-LBPRGKRZSA-N -1 1 395.337 3.734 20 5 GHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000186003025 907865806 /nfs/dbraw/zinc/86/58/06/907865806.db2.gz HYJPWNUBECGCDY-UHFFFAOYSA-N -1 1 394.229 3.706 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3cc(Br)ccc3c2)no1 ZINC001212892875 911378922 /nfs/dbraw/zinc/37/89/22/911378922.db2.gz AFXKDJBJBGRNDN-UHFFFAOYSA-N -1 1 386.165 3.951 20 5 GHBDMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC001186901444 914891552 /nfs/dbraw/zinc/89/15/52/914891552.db2.gz ZQOTUXXUGKXLHJ-ZDUSSCGKSA-N -1 1 382.869 3.775 20 5 GHBDMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001187874793 915600801 /nfs/dbraw/zinc/60/08/01/915600801.db2.gz HBYJHKVARVIVTH-YPMHNXCESA-N -1 1 396.893 3.730 20 5 GHBDMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000410330337 925545986 /nfs/dbraw/zinc/54/59/86/925545986.db2.gz XIRKLPLFVGUNAI-UHFFFAOYSA-N -1 1 386.433 3.544 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000725826925 926460297 /nfs/dbraw/zinc/46/02/97/926460297.db2.gz JDZUUMJOUMOMGJ-UHFFFAOYSA-N -1 1 384.816 3.745 20 5 GHBDMM CSc1cc2c(cc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCCO2 ZINC000751198428 928072312 /nfs/dbraw/zinc/07/23/12/928072312.db2.gz CSPXOSDRVNRQIA-UHFFFAOYSA-N -1 1 380.809 3.994 20 5 GHBDMM Cc1c(NC(=O)[C@@H](C)O[N-]C(=O)CCC2CCCCC2)cccc1[N+](=O)[O-] ZINC000751520499 928233479 /nfs/dbraw/zinc/23/34/79/928233479.db2.gz GFKRHSGRBQJWFD-CQSZACIVSA-N -1 1 377.441 3.639 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c1 ZINC000544642231 929378922 /nfs/dbraw/zinc/37/89/22/929378922.db2.gz ZQKFIPMSMYHLCC-UHFFFAOYSA-N -1 1 378.406 3.520 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000797837519 932425073 /nfs/dbraw/zinc/42/50/73/932425073.db2.gz UWFFIDFHINXQHT-DOTOQJQBSA-N -1 1 386.404 3.722 20 5 GHBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000798247809 932575278 /nfs/dbraw/zinc/57/52/78/932575278.db2.gz XEYYTEJRJXKCLF-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM O=C([N-]Cc1c(F)cccc1OC(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778022475 934701166 /nfs/dbraw/zinc/70/11/66/934701166.db2.gz CYOHMLRZHZWXGU-UHFFFAOYSA-N -1 1 390.264 3.744 20 5 GHBDMM C[C@](CC(=O)[O-])(NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncc1 ZINC001592328848 977748817 /nfs/dbraw/zinc/74/88/17/977748817.db2.gz NSZDBKVMMZMOPH-HXUWFJFHSA-N -1 1 381.388 3.730 20 5 GHBDMM O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001626002592 1014725416 /nfs/dbraw/zinc/72/54/16/1014725416.db2.gz NWYDFFZHIMLJJV-KRWDZBQOSA-N -1 1 399.353 3.687 20 5 GHBDMM CN1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598585976 993383869 /nfs/dbraw/zinc/38/38/69/993383869.db2.gz MXRXVZSVYBQBCO-VYBJVRDASA-N -1 1 385.395 3.689 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OC(C)C ZINC000546180189 1016578670 /nfs/dbraw/zinc/57/86/70/1016578670.db2.gz OTBUALUAMWXSMZ-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM CC(C)CCSc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-] ZINC000801700647 1021431131 /nfs/dbraw/zinc/43/11/31/1021431131.db2.gz NVOWHTBECJHGFS-UHFFFAOYSA-N -1 1 399.476 3.641 20 5 GHBDMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000834893865 1021638059 /nfs/dbraw/zinc/63/80/59/1021638059.db2.gz HUGWACPJOVTFGZ-LLVKDONJSA-N -1 1 396.369 3.837 20 5 GHBDMM C[C@@H]1C[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)[C@H]1C(=O)[O-] ZINC000903952074 1021663175 /nfs/dbraw/zinc/66/31/75/1021663175.db2.gz JTMYXCBHQAXAHH-RSQPEXBXSA-N -1 1 385.258 3.677 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Br)c1F ZINC000754950403 1022979218 /nfs/dbraw/zinc/97/92/18/1022979218.db2.gz RHKSIGOEMIZRLG-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000755007170 1023015087 /nfs/dbraw/zinc/01/50/87/1023015087.db2.gz YTAUJAYJSWOABR-UHFFFAOYSA-N -1 1 379.394 3.537 20 5 GHBDMM CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC001142839371 1029559137 /nfs/dbraw/zinc/55/91/37/1029559137.db2.gz JGXMWPHNGOXKAD-UHFFFAOYSA-N -1 1 381.392 3.635 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](c1ccc(OC)cc1)C(C)C ZINC001226311705 1031911307 /nfs/dbraw/zinc/91/13/07/1031911307.db2.gz ZUQJCJCKGWPXTE-MRXNPFEDSA-N -1 1 390.392 3.657 20 5 GHBDMM O=C(c1ccc([O-])cc1)c1ccc(O)cc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001229293573 1033396760 /nfs/dbraw/zinc/39/67/60/1033396760.db2.gz FTQLBDDDWMRUAH-IBGZPJMESA-N -1 1 391.379 3.783 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229397746 1033456839 /nfs/dbraw/zinc/45/68/39/1033456839.db2.gz LGYRKENPRDJKDC-APWZRJJASA-N -1 1 378.425 3.859 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2C[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229749549 1033683242 /nfs/dbraw/zinc/68/32/42/1033683242.db2.gz DDKRMCZBGNVDDR-GZBFAFLISA-N -1 1 378.425 3.776 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1[N+](=O)[O-] ZINC001229754058 1033688729 /nfs/dbraw/zinc/68/87/29/1033688729.db2.gz LNHLLWNSHADYBS-DVOMOZLQSA-N -1 1 378.425 3.633 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)CCC23CC3)cc1[N+](=O)[O-] ZINC001229753442 1033689107 /nfs/dbraw/zinc/68/91/07/1033689107.db2.gz JQONLQZLUPTWLT-INIZCTEOSA-N -1 1 378.425 3.777 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCc2ccccc2)c(Cl)cc1Cl ZINC001207896194 1034642841 /nfs/dbraw/zinc/64/28/41/1034642841.db2.gz GFXVWNLXIKHOJG-UHFFFAOYSA-N -1 1 389.260 3.813 20 5 GHBDMM COc1ccc([C@H](NC(C)C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC001161074747 1035135376 /nfs/dbraw/zinc/13/53/76/1035135376.db2.gz NOSOCZGKBXVTRH-INIZCTEOSA-N -1 1 393.827 3.640 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)cc1Cl ZINC001209628945 1035336367 /nfs/dbraw/zinc/33/63/67/1035336367.db2.gz FBLMZRAQULASMI-HNNXBMFYSA-N -1 1 398.843 3.687 20 5 GHBDMM COC(=O)c1cc([O-])c(Br)c(O[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001233902330 1039693707 /nfs/dbraw/zinc/69/37/07/1039693707.db2.gz AAVZFEFSLLYETF-SECBINFHSA-N -1 1 396.193 3.990 20 5 GHBDMM COc1ccc([C@H](C)Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)cn1 ZINC001234744365 1040270880 /nfs/dbraw/zinc/27/08/80/1040270880.db2.gz LNIMKSRBSUZDSA-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)c4nccs4)cc3c(=O)c12 ZINC001234796692 1040328269 /nfs/dbraw/zinc/32/82/69/1040328269.db2.gz PCSUQYSZZUIRJM-VIFPVBQESA-N -1 1 385.397 3.963 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001307074765 1049056309 /nfs/dbraw/zinc/05/63/09/1049056309.db2.gz JIURTRUEXIMRCJ-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM Cc1cc(N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001307146176 1049102965 /nfs/dbraw/zinc/10/29/65/1049102965.db2.gz WSJRDOHBRZDBNO-AWEZNQCLSA-N -1 1 379.338 3.645 20 5 GHBDMM Cc1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[n-]c(=O)c1C1CC1 ZINC001307382535 1049236311 /nfs/dbraw/zinc/23/63/11/1049236311.db2.gz OWLPKSCYNOTIBW-UHFFFAOYSA-N -1 1 385.405 3.619 20 5 GHBDMM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309685780 1050919223 /nfs/dbraw/zinc/91/92/23/1050919223.db2.gz ZORWBNZWTKZOPY-AWEZNQCLSA-N -1 1 382.869 3.938 20 5 GHBDMM Cc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[n-]c(=O)c1C1CC1 ZINC001459214346 1064025395 /nfs/dbraw/zinc/02/53/95/1064025395.db2.gz YPZCYESYSPPNII-UHFFFAOYSA-N -1 1 394.840 3.660 20 5 GHBDMM O=C([N-]Cc1cccc(OC(F)(F)F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001463418067 1064331132 /nfs/dbraw/zinc/33/11/32/1064331132.db2.gz NGSJQWSNLCCDRQ-UHFFFAOYSA-N -1 1 390.264 3.902 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)cc1F ZINC001474766865 1074550773 /nfs/dbraw/zinc/55/07/73/1074550773.db2.gz WIIUKASOFSFVSV-UHFFFAOYSA-N -1 1 393.223 3.828 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c(Cl)cc1Cl ZINC001475366227 1074850910 /nfs/dbraw/zinc/85/09/10/1074850910.db2.gz UVAJTWOCLYDQFM-AWEZNQCLSA-N -1 1 379.265 3.759 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC001475518279 1074902802 /nfs/dbraw/zinc/90/28/02/1074902802.db2.gz LXFJDRUVCFSXET-APHBMKBZSA-N -1 1 399.255 3.518 20 5 GHBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000833419596 604866393 /nfs/dbraw/zinc/86/63/93/604866393.db2.gz HCTMAJBBENBTMH-NSHDSACASA-N -1 1 379.438 3.652 20 5 GHBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000820281223 606706147 /nfs/dbraw/zinc/70/61/47/606706147.db2.gz UEEXLGSXJXTPSB-QMMMGPOBSA-N -1 1 394.222 3.692 20 5 GHBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000820281223 606706149 /nfs/dbraw/zinc/70/61/49/606706149.db2.gz UEEXLGSXJXTPSB-QMMMGPOBSA-N -1 1 394.222 3.692 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000512508272 844032892 /nfs/dbraw/zinc/03/28/92/844032892.db2.gz GJBVVCQICYENEH-UHFFFAOYSA-N -1 1 394.214 3.932 20 5 GHBDMM Cc1nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1-c1ccccc1 ZINC000583987346 835357753 /nfs/dbraw/zinc/35/77/53/835357753.db2.gz QGSFLIBJJOFSGJ-UHFFFAOYSA-N -1 1 397.456 3.950 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000174771978 836556097 /nfs/dbraw/zinc/55/60/97/836556097.db2.gz YXWIJKGMXKVSDS-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000579901537 837157683 /nfs/dbraw/zinc/15/76/83/837157683.db2.gz VMSMABGVFJPMJC-UHFFFAOYSA-N -1 1 384.841 3.928 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000024429886 838075346 /nfs/dbraw/zinc/07/53/46/838075346.db2.gz QGXXHXFXPPELRJ-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000050534522 840289265 /nfs/dbraw/zinc/28/92/65/840289265.db2.gz DRYMHLPSHKCPMA-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000512592607 844686241 /nfs/dbraw/zinc/68/62/41/844686241.db2.gz KAJBMXKGNYGWRL-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159962877 845372812 /nfs/dbraw/zinc/37/28/12/845372812.db2.gz SOMZQCTYIOCHRD-FQEVSTJZSA-N -1 1 388.383 3.696 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)s1 ZINC000481567849 861740873 /nfs/dbraw/zinc/74/08/73/861740873.db2.gz ITCYWYMDUDSYDC-UHFFFAOYSA-N -1 1 390.845 3.615 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000519201957 850752165 /nfs/dbraw/zinc/75/21/65/850752165.db2.gz NFISHWZTTCJDFK-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000438790447 852841239 /nfs/dbraw/zinc/84/12/39/852841239.db2.gz ZEHLWCHMGMHOPY-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000518660701 853622042 /nfs/dbraw/zinc/62/20/42/853622042.db2.gz AUQSPSLJEHVIGM-UHFFFAOYSA-N -1 1 380.853 3.648 20 5 GHBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1[O-] ZINC000588099322 854126661 /nfs/dbraw/zinc/12/66/61/854126661.db2.gz PMRDOXDEOPKECX-UHFFFAOYSA-N -1 1 385.159 3.646 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000031555905 862616069 /nfs/dbraw/zinc/61/60/69/862616069.db2.gz NTDRYTWVIQGOQB-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)n[nH]1 ZINC000164040458 862648881 /nfs/dbraw/zinc/64/88/81/862648881.db2.gz MCKFRQKXTUESFO-UHFFFAOYSA-N -1 1 388.405 3.528 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000589865220 855181852 /nfs/dbraw/zinc/18/18/52/855181852.db2.gz ZKKQTXUATRWWNE-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591924239 856402314 /nfs/dbraw/zinc/40/23/14/856402314.db2.gz DTRDFWFYCLUITP-UHFFFAOYSA-N -1 1 381.432 3.674 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1[N+](=O)[O-] ZINC000173575917 857002841 /nfs/dbraw/zinc/00/28/41/857002841.db2.gz SHPYNHKRLFSAJO-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM Cc1ccc(-c2nnc([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)s2)c(C)c1 ZINC000149226570 857271354 /nfs/dbraw/zinc/27/13/54/857271354.db2.gz AGPIIWKCXFCHBQ-UHFFFAOYSA-N -1 1 398.400 3.711 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000132291456 858087634 /nfs/dbraw/zinc/08/76/34/858087634.db2.gz FCBYYAQZYAFOEC-UHFFFAOYSA-N -1 1 393.421 3.967 20 5 GHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)c1 ZINC000115150768 858411156 /nfs/dbraw/zinc/41/11/56/858411156.db2.gz HVLSLBGIJYSOFP-UHFFFAOYSA-N -1 1 384.417 3.991 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000509621911 859014847 /nfs/dbraw/zinc/01/48/47/859014847.db2.gz RTZUOENXGYEYOL-UHFFFAOYSA-N -1 1 396.424 3.935 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000598708389 860517777 /nfs/dbraw/zinc/51/77/77/860517777.db2.gz FYEDWJZBWNRSHV-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1csc2ccccc21 ZINC000730018029 860841247 /nfs/dbraw/zinc/84/12/47/860841247.db2.gz NTEXDQFKWDJYIF-JTQLQIEISA-N -1 1 380.422 3.988 20 5 GHBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2CC(=O)[O-])cc1OC ZINC000593744582 861135732 /nfs/dbraw/zinc/13/57/32/861135732.db2.gz GQGFWFOMZWNCSX-ZBFHGGJFSA-N -1 1 394.468 3.858 20 5 GHBDMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520453466 881791355 /nfs/dbraw/zinc/79/13/55/881791355.db2.gz MTPNGBRGIADAQY-UHFFFAOYSA-N -1 1 390.421 3.550 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]c1-c1ccccc1 ZINC000534065122 866081559 /nfs/dbraw/zinc/08/15/59/866081559.db2.gz WVTBJZPFJLENFO-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000385977823 867210560 /nfs/dbraw/zinc/21/05/60/867210560.db2.gz JALIUPWOIALZRR-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445183192 867903881 /nfs/dbraw/zinc/90/38/81/867903881.db2.gz NSZVWWMMDFGRBN-QGZVFWFLSA-N -1 1 391.383 3.616 20 5 GHBDMM CSCc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000445737254 868915034 /nfs/dbraw/zinc/91/50/34/868915034.db2.gz UVYQWLLUKWCXEV-UHFFFAOYSA-N -1 1 386.882 3.590 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000766862326 871950120 /nfs/dbraw/zinc/95/01/20/871950120.db2.gz QIFKNQHBTAIYFT-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447774545 872261037 /nfs/dbraw/zinc/26/10/37/872261037.db2.gz CBKKZYKVXOZXGM-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[nH]n1 ZINC000768280678 873229304 /nfs/dbraw/zinc/22/93/04/873229304.db2.gz VGVWPJHTFWDMNA-UHFFFAOYSA-N -1 1 390.396 3.542 20 5 GHBDMM COc1cccc(-c2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cs2)c1 ZINC000769048641 873760105 /nfs/dbraw/zinc/76/01/05/873760105.db2.gz QYURIDIPIHNQAN-UHFFFAOYSA-N -1 1 386.385 3.790 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000798247076 874293677 /nfs/dbraw/zinc/29/36/77/874293677.db2.gz OEUPCDGQEMKNQE-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424164 878488758 /nfs/dbraw/zinc/48/87/58/878488758.db2.gz HWAICKFZAQAVGP-FPYGCLRLSA-N -1 1 399.476 3.603 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3Cl)[nH]n2)c1 ZINC000153194590 879253048 /nfs/dbraw/zinc/25/30/48/879253048.db2.gz KMFSLFQIPDEYPB-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487742166 879876113 /nfs/dbraw/zinc/87/61/13/879876113.db2.gz LEXWRIYSPUQVDC-UHFFFAOYSA-N -1 1 392.343 3.967 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790744622 879976656 /nfs/dbraw/zinc/97/66/56/879976656.db2.gz HODMORQTQYTSGI-UHFFFAOYSA-N -1 1 395.770 3.624 20 5 GHBDMM Cc1c(C(=O)[N-]c2nnc(CCC(C)C)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855189686 880337366 /nfs/dbraw/zinc/33/73/66/880337366.db2.gz LIQVROIYIMLJCM-UHFFFAOYSA-N -1 1 379.398 3.504 20 5 GHBDMM CCCCOc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499153349 881317687 /nfs/dbraw/zinc/31/76/87/881317687.db2.gz GHFOTMWXQJNLGD-UHFFFAOYSA-N -1 1 378.450 3.758 20 5 GHBDMM O=C(N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001183695512 912735756 /nfs/dbraw/zinc/73/57/56/912735756.db2.gz XCAIQFDFRDRLOF-TZMCWYRMSA-N -1 1 375.812 3.805 20 5 GHBDMM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1c([O-])cc(F)cc1F ZINC000760509406 885034426 /nfs/dbraw/zinc/03/44/26/885034426.db2.gz NQNVMNBTKXKOMQ-UHFFFAOYSA-N -1 1 376.271 3.591 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1[N+](=O)[O-] ZINC000119339212 886601164 /nfs/dbraw/zinc/60/11/64/886601164.db2.gz BOQXJAHXHUGGFD-UHFFFAOYSA-N -1 1 395.231 3.667 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2F)c1Cl ZINC000809387008 887360867 /nfs/dbraw/zinc/36/08/67/887360867.db2.gz NHOLQKSRQVXMFI-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000809814537 887824635 /nfs/dbraw/zinc/82/46/35/887824635.db2.gz PMUIUQKRQTYAFA-SSDOTTSWSA-N -1 1 396.277 3.706 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1C ZINC000015243824 887936981 /nfs/dbraw/zinc/93/69/81/887936981.db2.gz AEURFURNOGKMMT-UHFFFAOYSA-N -1 1 390.248 3.901 20 5 GHBDMM CCSc1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000496467378 888819154 /nfs/dbraw/zinc/81/91/54/888819154.db2.gz IXLLPXNUSKVUTO-UHFFFAOYSA-N -1 1 393.475 3.934 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC001211982709 889730840 /nfs/dbraw/zinc/73/08/40/889730840.db2.gz YXNRSEJOMQGKJF-AWEZNQCLSA-N -1 1 380.853 3.720 20 5 GHBDMM Cc1nc(C2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)sc1C(=O)[O-] ZINC000872165107 891188699 /nfs/dbraw/zinc/18/86/99/891188699.db2.gz OLGRPNMJPXZMCG-GFCCVEGCSA-N -1 1 375.450 3.999 20 5 GHBDMM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000814397326 892648595 /nfs/dbraw/zinc/64/85/95/892648595.db2.gz YNNZQIGVDYOAEM-UHFFFAOYSA-N -1 1 390.795 3.838 20 5 GHBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C ZINC000570788668 899593183 /nfs/dbraw/zinc/59/31/83/899593183.db2.gz HEOZPUGDGWPMSD-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM CC(C)Oc1cccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000885371216 900474690 /nfs/dbraw/zinc/47/46/90/900474690.db2.gz XCXWQNGSQHHZKR-LBPRGKRZSA-N -1 1 382.413 3.561 20 5 GHBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)c(C)c([N+](=O)[O-])c1 ZINC000573512967 900533818 /nfs/dbraw/zinc/53/38/18/900533818.db2.gz LBPLCWMEIBTPRJ-UHFFFAOYSA-N -1 1 399.334 3.736 20 5 GHBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000158685817 901997388 /nfs/dbraw/zinc/99/73/88/901997388.db2.gz RAUUQECVBFPCSJ-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001187875026 915601105 /nfs/dbraw/zinc/60/11/05/915601105.db2.gz KXDWENBSNOPXDC-MWLCHTKSSA-N -1 1 399.321 3.854 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc4ccccc4n3)no2)n[n-]c1C(F)(F)F ZINC001212973143 916165923 /nfs/dbraw/zinc/16/59/23/916165923.db2.gz SFXLRNCMUWZJHH-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC001137345494 924891755 /nfs/dbraw/zinc/89/17/55/924891755.db2.gz LIRVYFBMFWSXLJ-UHFFFAOYSA-N -1 1 382.416 3.652 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1-c1ccccc1 ZINC000558735584 932200453 /nfs/dbraw/zinc/20/04/53/932200453.db2.gz ISOKJUKCFKROPC-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000756350678 978698883 /nfs/dbraw/zinc/69/88/83/978698883.db2.gz PIIVXWQLWMQVAS-AWEZNQCLSA-N -1 1 399.628 3.926 20 5 GHBDMM COc1ccc([C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])cc1Cl ZINC001599532827 997688152 /nfs/dbraw/zinc/68/81/52/997688152.db2.gz UFIWSGIZWGRFIQ-HNNXBMFYSA-N -1 1 385.203 3.826 20 5 GHBDMM CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599064721 999290940 /nfs/dbraw/zinc/29/09/40/999290940.db2.gz ZUVLZFNKYJIQSW-PIGZYNQJSA-N -1 1 378.812 3.812 20 5 GHBDMM CC(C)(NC(=O)c1cc(Br)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001141503609 1025302167 /nfs/dbraw/zinc/30/21/67/1025302167.db2.gz UUHNCENWCHFMMC-UHFFFAOYSA-N -1 1 379.210 3.728 20 5 GHBDMM CC(C)(C)OC(=O)N[C@@H]1CCc2nc([N-]c3ccc([N+](=O)[O-])nc3)sc2C1 ZINC001203560705 1027434013 /nfs/dbraw/zinc/43/40/13/1027434013.db2.gz NVUKMDMTHJGCJA-SNVBAGLBSA-N -1 1 391.453 3.572 20 5 GHBDMM Cc1cc([O-])c(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1[N+](=O)[O-] ZINC001216945809 1030019601 /nfs/dbraw/zinc/01/96/01/1030019601.db2.gz ARHSGHUETZUZIT-UXBLZVDNSA-N -1 1 393.403 3.787 20 5 GHBDMM C[C@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226183556 1031838000 /nfs/dbraw/zinc/83/80/00/1031838000.db2.gz WYKRSSHQQXNPHU-NSHDSACASA-N -1 1 381.344 3.626 20 5 GHBDMM O=C(c1ccc([O-])cc1)c1ccc(O)cc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001229293574 1033396922 /nfs/dbraw/zinc/39/69/22/1033396922.db2.gz FTQLBDDDWMRUAH-LJQANCHMSA-N -1 1 391.379 3.783 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CC[C@]23CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001229751200 1033685938 /nfs/dbraw/zinc/68/59/38/1033685938.db2.gz SFQJQPTVDIWOID-QFBILLFUSA-N -1 1 378.425 3.777 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CCCN(C(=O)OC(C)(C)C)C[C@H]2F)cc1[N+](=O)[O-] ZINC001229751207 1033686021 /nfs/dbraw/zinc/68/60/21/1033686021.db2.gz SJTHSBJFOQRUTP-DOMZBBRYSA-N -1 1 384.404 3.725 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC001231260540 1034489898 /nfs/dbraw/zinc/48/98/98/1034489898.db2.gz UAFYLZZNLHPBFE-CYBMUJFWSA-N -1 1 381.182 3.669 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)c4ccccn4)cc3c(=O)c12 ZINC001234801094 1040332156 /nfs/dbraw/zinc/33/21/56/1040332156.db2.gz ODHMXBLEIXGOPG-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM CC/C=C\CCOC(=O)[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877210 1040391353 /nfs/dbraw/zinc/39/13/53/1040391353.db2.gz MIPOUXFXSLCUJN-UMCURTJPSA-N -1 1 388.214 3.730 20 5 GHBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C2CC2)cc1 ZINC001462766041 1070532001 /nfs/dbraw/zinc/53/20/01/1070532001.db2.gz UVZHKMIKYXQRIF-GOSISDBHSA-N -1 1 378.425 3.780 20 5 GHBDMM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c([O-])c1 ZINC001295837314 1045161691 /nfs/dbraw/zinc/16/16/91/1045161691.db2.gz VIEAJYABDZMGIM-UHFFFAOYSA-N -1 1 378.768 3.691 20 5 GHBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC001309048896 1050300711 /nfs/dbraw/zinc/30/07/11/1050300711.db2.gz YMAHUDVMMUKDFJ-HNNXBMFYSA-N -1 1 382.869 3.966 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)cc1F ZINC001309540869 1050794372 /nfs/dbraw/zinc/79/43/72/1050794372.db2.gz WJPYKRSVKRLSTC-NSHDSACASA-N -1 1 380.388 3.536 20 5 GHBDMM Cc1cc(F)cc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)c1[N+](=O)[O-] ZINC001337482646 1052483940 /nfs/dbraw/zinc/48/39/40/1052483940.db2.gz DTRXNFDJHRWEOE-UHFFFAOYSA-N -1 1 375.747 3.733 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccn3)s2)cc1Cl ZINC001354504253 1056725403 /nfs/dbraw/zinc/72/54/03/1056725403.db2.gz LZNCFQCKUNMZEE-UHFFFAOYSA-N -1 1 375.797 3.722 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Br)c([O-])c2)c1 ZINC001322565479 1056756744 /nfs/dbraw/zinc/75/67/44/1056756744.db2.gz ROWPPXNIUARFGK-UHFFFAOYSA-N -1 1 395.209 3.779 20 5 GHBDMM CCc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cccc(F)c2)cc1 ZINC001441048469 1058690279 /nfs/dbraw/zinc/69/02/79/1058690279.db2.gz LVUCCOOIJRWLKP-LJQANCHMSA-N -1 1 395.390 3.916 20 5 GHBDMM O=C(Nc1ccc([O-])c(F)c1F)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001449446902 1060404380 /nfs/dbraw/zinc/40/43/80/1060404380.db2.gz KIMDJYOGDQDXQT-UHFFFAOYSA-N -1 1 391.099 3.733 20 5 GHBDMM O=C(NCC1(c2ccc(F)cc2Cl)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001467316438 1067221975 /nfs/dbraw/zinc/22/19/75/1067221975.db2.gz JTMMIFYEMXLLMI-UHFFFAOYSA-N -1 1 393.802 3.730 20 5 GHBDMM Cc1c(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])oc2ccccc12 ZINC001474966884 1074657663 /nfs/dbraw/zinc/65/76/63/1074657663.db2.gz BEZKNLKESJCPIY-UHFFFAOYSA-N -1 1 378.381 3.575 20 5 GHBDMM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC001475251059 1074805149 /nfs/dbraw/zinc/80/51/49/1074805149.db2.gz GPUWWFQYBRLJLK-HAQNSBGRSA-N -1 1 398.843 3.920 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)cc1Cl ZINC001475411327 1074865637 /nfs/dbraw/zinc/86/56/37/1074865637.db2.gz BXSCCMBPUDIMKE-WDEREUQCSA-N -1 1 376.837 3.634 20 5 GHBDMM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263386502 604528254 /nfs/dbraw/zinc/52/82/54/604528254.db2.gz CZHZOUBSCXCLLM-AWEZNQCLSA-N -1 1 395.209 3.666 20 5 GHBDMM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820295171 606704614 /nfs/dbraw/zinc/70/46/14/606704614.db2.gz ZVFZRGCSIUFAAW-QMMMGPOBSA-N -1 1 394.222 3.520 20 5 GHBDMM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820295171 606704616 /nfs/dbraw/zinc/70/46/16/606704616.db2.gz ZVFZRGCSIUFAAW-QMMMGPOBSA-N -1 1 394.222 3.520 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cs1 ZINC000120075718 834369628 /nfs/dbraw/zinc/36/96/28/834369628.db2.gz AYNVMVLUIFUONW-UHFFFAOYSA-N -1 1 390.402 3.593 20 5 GHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1OC ZINC000536220024 834871086 /nfs/dbraw/zinc/87/10/86/834871086.db2.gz LEYDOKJZOCYSNV-UHFFFAOYSA-N -1 1 380.784 3.922 20 5 GHBDMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146626227 835115726 /nfs/dbraw/zinc/11/57/26/835115726.db2.gz CSJXSAUHRXKTAF-LLVKDONJSA-N -1 1 384.841 3.686 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000032590310 835720723 /nfs/dbraw/zinc/72/07/23/835720723.db2.gz LIRXHBLGOKVIEZ-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM CSc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000188469018 835883679 /nfs/dbraw/zinc/88/36/79/835883679.db2.gz GOVCZSNZHTZZRO-UHFFFAOYSA-N -1 1 390.446 3.508 20 5 GHBDMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000179933758 836407133 /nfs/dbraw/zinc/40/71/33/836407133.db2.gz DAEDGWWJWDPMAP-UHFFFAOYSA-N -1 1 381.373 3.553 20 5 GHBDMM O=C(c1cc(Cl)ccc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802353 836561892 /nfs/dbraw/zinc/56/18/92/836561892.db2.gz XGGMMLXZEJFWGY-UHFFFAOYSA-N -1 1 376.796 3.637 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000610262435 836918278 /nfs/dbraw/zinc/91/82/78/836918278.db2.gz AKMNSIWUBGAASK-CQSZACIVSA-N -1 1 399.428 3.822 20 5 GHBDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000580202103 837314415 /nfs/dbraw/zinc/31/44/15/837314415.db2.gz RLTNKVFPSVGLEF-HZPDHXFCSA-N -1 1 394.349 3.914 20 5 GHBDMM COCCCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000581402082 841261071 /nfs/dbraw/zinc/26/10/71/841261071.db2.gz RCYPMVYAFKJTNF-UHFFFAOYSA-N -1 1 379.438 3.507 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)s1 ZINC000150788793 842891496 /nfs/dbraw/zinc/89/14/96/842891496.db2.gz VACIBFPPNMCKAK-UHFFFAOYSA-N -1 1 378.435 3.601 20 5 GHBDMM C[C@H]1CN(Cc2ccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000572527786 843731031 /nfs/dbraw/zinc/73/10/31/843731031.db2.gz MFEZCTMWNUMGIY-GJZGRUSLSA-N -1 1 399.447 3.514 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000501154378 846686781 /nfs/dbraw/zinc/68/67/81/846686781.db2.gz GBUYCSIZZQWKIM-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM COc1ccccc1CSc1ccccc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000503654391 847875377 /nfs/dbraw/zinc/87/53/77/847875377.db2.gz IODHGLCEQVPZSW-UHFFFAOYSA-N -1 1 398.444 3.882 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000056127831 854376720 /nfs/dbraw/zinc/37/67/20/854376720.db2.gz DBYZJMQKGPUPPD-ZDUSSCGKSA-N -1 1 392.330 3.706 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1c(F)c(F)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000553439008 855018431 /nfs/dbraw/zinc/01/84/31/855018431.db2.gz IIIKMXABRMHBQN-QMMMGPOBSA-N -1 1 376.768 3.566 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000589554901 855024343 /nfs/dbraw/zinc/02/43/43/855024343.db2.gz IHSJXKQXXBLXMP-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000445180070 855288103 /nfs/dbraw/zinc/28/81/03/855288103.db2.gz GDZMHAMUVNANSX-UHFFFAOYSA-N -1 1 377.400 3.868 20 5 GHBDMM COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593878688 862733357 /nfs/dbraw/zinc/73/33/57/862733357.db2.gz FTAXWYRCYMBHGJ-CYBMUJFWSA-N -1 1 391.811 3.507 20 5 GHBDMM O=C(NCCSCc1cccc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485376563 856423013 /nfs/dbraw/zinc/42/30/13/856423013.db2.gz VAFLRDUJEWQPPO-UHFFFAOYSA-N -1 1 383.429 3.512 20 5 GHBDMM Cc1nc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000301673880 857053540 /nfs/dbraw/zinc/05/35/40/857053540.db2.gz RKZOFPQQSFYXCX-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000007052720 859441612 /nfs/dbraw/zinc/44/16/12/859441612.db2.gz VORCTUNMXCICSU-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(CSC1=Nc2ccccc2CS1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000729930148 860466794 /nfs/dbraw/zinc/46/67/94/860466794.db2.gz GYKXPVAEBIYESJ-UHFFFAOYSA-N -1 1 387.442 3.519 20 5 GHBDMM CC1(C)SC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000554894042 865127793 /nfs/dbraw/zinc/12/77/93/865127793.db2.gz STOWCBJPWRBEHL-INIZCTEOSA-N -1 1 393.490 3.702 20 5 GHBDMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003773 867628003 /nfs/dbraw/zinc/62/80/03/867628003.db2.gz BLVUNAVCZDZCCN-MRVPVSSYSA-N -1 1 382.203 3.762 20 5 GHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000445131302 867843637 /nfs/dbraw/zinc/84/36/37/867843637.db2.gz DBHLADSEZIIXOJ-VHSXEESVSA-N -1 1 383.326 3.636 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000524531710 869210287 /nfs/dbraw/zinc/21/02/87/869210287.db2.gz FVRBSCLINRKZER-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1Cl ZINC000462621135 869771224 /nfs/dbraw/zinc/77/12/24/869771224.db2.gz RZUOXZDLNSNVGY-UHFFFAOYSA-N -1 1 392.861 3.705 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000539956912 870087968 /nfs/dbraw/zinc/08/79/68/870087968.db2.gz VPOZSJTUDLIDMB-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n[nH]c1-c1ccccc1 ZINC000540208080 870765596 /nfs/dbraw/zinc/76/55/96/870765596.db2.gz AIZNRGPTVLRYMS-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463167330 871063263 /nfs/dbraw/zinc/06/32/63/871063263.db2.gz COLZSOPDMOKOGE-UHFFFAOYSA-N -1 1 384.295 3.977 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2cccc3cccc1c32 ZINC001195138679 872194319 /nfs/dbraw/zinc/19/43/19/872194319.db2.gz XEDDLUALQZPZGX-INIZCTEOSA-N -1 1 386.404 3.853 20 5 GHBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000767088848 872256776 /nfs/dbraw/zinc/25/67/76/872256776.db2.gz SAOGYRVUSGHIQR-MRVPVSSYSA-N -1 1 394.840 3.741 20 5 GHBDMM Cc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000921198064 882664092 /nfs/dbraw/zinc/66/40/92/882664092.db2.gz JPSYJBHPIRXMKN-UHFFFAOYSA-N -1 1 385.361 3.582 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001197070133 873576526 /nfs/dbraw/zinc/57/65/26/873576526.db2.gz SMZJDEQSUZJUHG-UHFFFAOYSA-N -1 1 396.274 3.925 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000031534672 879643219 /nfs/dbraw/zinc/64/32/19/879643219.db2.gz GJIGCBHPWLLZRP-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1 ZINC000609543502 883335869 /nfs/dbraw/zinc/33/58/69/883335869.db2.gz OPXVXCPCGPXZTM-ZFWWWQNUSA-N -1 1 380.853 3.863 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000032600232 887448375 /nfs/dbraw/zinc/44/83/75/887448375.db2.gz CSZRREQENXJODU-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000762991830 887512486 /nfs/dbraw/zinc/51/24/86/887512486.db2.gz XINABFHZXCWMJX-UHFFFAOYSA-N -1 1 389.379 3.706 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(Cl)cc1Cl ZINC000809844358 887861179 /nfs/dbraw/zinc/86/11/79/887861179.db2.gz YAIRJBXPCBLTIL-SSDOTTSWSA-N -1 1 389.207 3.615 20 5 GHBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1[N+](=O)[O-] ZINC000747621600 888735894 /nfs/dbraw/zinc/73/58/94/888735894.db2.gz ZIJBZLOYNRCECY-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nnc(C)s2)cc1 ZINC000033152898 890711745 /nfs/dbraw/zinc/71/17/45/890711745.db2.gz QYPWLDSPYVUGCM-UHFFFAOYSA-N -1 1 386.389 3.808 20 5 GHBDMM CCN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)C(=O)OC(C)(C)C ZINC000918102705 893162297 /nfs/dbraw/zinc/16/22/97/893162297.db2.gz AGGIIHIOOLMUIW-UHFFFAOYSA-N -1 1 388.424 3.932 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000815010100 893335813 /nfs/dbraw/zinc/33/58/13/893335813.db2.gz RQNKSOIBHJRTLG-UHFFFAOYSA-N -1 1 384.816 3.612 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000126833811 893924388 /nfs/dbraw/zinc/92/43/88/893924388.db2.gz KBDOAPSCRVHQRR-UHFFFAOYSA-N -1 1 384.845 3.738 20 5 GHBDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2nc3ccccc3nc21 ZINC001185909139 914168943 /nfs/dbraw/zinc/16/89/43/914168943.db2.gz KQXWLVRUZYWTGR-UHFFFAOYSA-N -1 1 393.424 3.590 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1Cl ZINC000821119250 897722291 /nfs/dbraw/zinc/72/22/91/897722291.db2.gz OCSIDZDYZSNCMY-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000800151800 898671222 /nfs/dbraw/zinc/67/12/22/898671222.db2.gz NJAQVDPUPWINCW-UHFFFAOYSA-N -1 1 398.144 3.965 20 5 GHBDMM CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001186260616 914395675 /nfs/dbraw/zinc/39/56/75/914395675.db2.gz AADVDCPVDZGKFZ-NSHDSACASA-N -1 1 386.832 3.859 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)[nH]n2)c1 ZINC000573639107 900583083 /nfs/dbraw/zinc/58/30/83/900583083.db2.gz PQMBHHOLIPEQED-UHFFFAOYSA-N -1 1 394.359 3.723 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000600662371 902793459 /nfs/dbraw/zinc/79/34/59/902793459.db2.gz KPTYLJFOMJJAJR-UHFFFAOYSA-N -1 1 376.434 3.598 20 5 GHBDMM O=C([O-])/C=C/c1ccc(OCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000846237699 902812234 /nfs/dbraw/zinc/81/22/34/902812234.db2.gz RGQNICYULWOPHX-IZZDOVSWSA-N -1 1 382.416 3.736 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000216131811 904410453 /nfs/dbraw/zinc/41/04/53/904410453.db2.gz CJWDBQDDZTXFDT-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4[O-])C3)[nH]c2c1 ZINC000182149304 907146038 /nfs/dbraw/zinc/14/60/38/907146038.db2.gz GSPJCFXDDRCOEY-CYBMUJFWSA-N -1 1 380.404 3.505 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)cc1F ZINC001188055715 915704471 /nfs/dbraw/zinc/70/44/71/915704471.db2.gz XECZETNXODJIKZ-HNNXBMFYSA-N -1 1 378.425 3.743 20 5 GHBDMM COc1cc(Cl)cc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212972797 916164660 /nfs/dbraw/zinc/16/46/60/916164660.db2.gz KQHIVBVRGRWKPR-UHFFFAOYSA-N -1 1 389.677 3.716 20 5 GHBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC001189146783 916429600 /nfs/dbraw/zinc/42/96/00/916429600.db2.gz TYMJIOKMDIYUDN-UHFFFAOYSA-N -1 1 398.868 3.824 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000725817741 926456690 /nfs/dbraw/zinc/45/66/90/926456690.db2.gz MAGSCURVSVNNHW-CQSZACIVSA-N -1 1 384.841 3.686 20 5 GHBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)n1 ZINC000467926883 929599483 /nfs/dbraw/zinc/59/94/83/929599483.db2.gz KSYRDMMHHLWWQY-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000780364769 930500074 /nfs/dbraw/zinc/50/00/74/930500074.db2.gz DHTQTLNEIMVRJE-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000783080025 931404992 /nfs/dbraw/zinc/40/49/92/931404992.db2.gz LSUALAITLVKQEC-CYBMUJFWSA-N -1 1 392.433 3.665 20 5 GHBDMM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001124522621 935403847 /nfs/dbraw/zinc/40/38/47/935403847.db2.gz GDALCOZBKIIIJD-UHFFFAOYSA-N -1 1 393.277 3.711 20 5 GHBDMM COCC(=O)c1ccc([O-])cc1O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001227172668 1032308105 /nfs/dbraw/zinc/30/81/05/1032308105.db2.gz QBWPKBLWARQWKI-MRXNPFEDSA-N -1 1 385.294 3.812 20 5 GHBDMM CCOC(=O)[C@H](CC)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227703893 1032524017 /nfs/dbraw/zinc/52/40/17/1032524017.db2.gz YEVOINTVECUPBO-KRWDZBQOSA-N -1 1 387.388 3.560 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]n1 ZINC000754825665 1022916799 /nfs/dbraw/zinc/91/67/99/1022916799.db2.gz CCHOWBAQGLVHAW-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000755066455 1023056904 /nfs/dbraw/zinc/05/69/04/1023056904.db2.gz PTYKTMQLSLMOBM-LLVKDONJSA-N -1 1 375.352 3.532 20 5 GHBDMM COc1ccc(OC)c([C@@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])c1 ZINC001228861003 1033145143 /nfs/dbraw/zinc/14/51/43/1033145143.db2.gz ZMIOFGHIJBWOJK-MRVPVSSYSA-N -1 1 388.298 3.871 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001209861175 1027250397 /nfs/dbraw/zinc/25/03/97/1027250397.db2.gz DSYNGVBPSSQJOS-CQSZACIVSA-N -1 1 388.367 3.750 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2nc(Cl)ccc2I)ccc1[O-] ZINC001210394186 1027485806 /nfs/dbraw/zinc/48/58/06/1027485806.db2.gz QZOPOMHVINGBEX-UHFFFAOYSA-N -1 1 391.552 3.697 20 5 GHBDMM CC1(C)[C@@H](c2ccccc2)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001213191777 1028037982 /nfs/dbraw/zinc/03/79/82/1028037982.db2.gz NACJLNHEYQLIDU-HOTGVXAUSA-N -1 1 380.853 3.719 20 5 GHBDMM Cc1cc([O-])c(OC2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001229749853 1033684521 /nfs/dbraw/zinc/68/45/21/1033684521.db2.gz ICXYVFLVFOHYJI-UHFFFAOYSA-N -1 1 378.425 3.777 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(OC4CCC(OC)CC4)cc([O-])cc3oc21 ZINC001234749655 1040278358 /nfs/dbraw/zinc/27/83/58/1040278358.db2.gz SFFAKVUVFRPNSB-UHFFFAOYSA-N -1 1 386.400 3.702 20 5 GHBDMM COc1ccc([C@H](C)Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)cn1 ZINC001234751245 1040280401 /nfs/dbraw/zinc/28/04/01/1040280401.db2.gz VPKDCPTXWTWPHC-JTQLQIEISA-N -1 1 395.367 3.607 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CCCC(=O)C4(C)C)cc3c(=O)c12 ZINC001234801386 1040332599 /nfs/dbraw/zinc/33/25/99/1040332599.db2.gz PZFQKJOVKOAPPH-IBGZPJMESA-N -1 1 398.411 3.893 20 5 GHBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC001298191355 1045731717 /nfs/dbraw/zinc/73/17/17/1045731717.db2.gz IXOLOGGDJJKXMJ-UHFFFAOYSA-N -1 1 385.355 3.857 20 5 GHBDMM COc1ccc(C2([N-]S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])CCCC2)cc1 ZINC001309149901 1050403947 /nfs/dbraw/zinc/40/39/47/1050403947.db2.gz PKIGYUIATBOHEH-UHFFFAOYSA-N -1 1 396.490 3.721 20 5 GHBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001309450649 1050728725 /nfs/dbraw/zinc/72/87/25/1050728725.db2.gz PPUUWHQWIAFYDO-MADCSZMMSA-N -1 1 388.795 3.812 20 5 GHBDMM O=C([N-]CC1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC001333723017 1051819704 /nfs/dbraw/zinc/81/97/04/1051819704.db2.gz RYPCRKHLUOEIKQ-UHFFFAOYSA-N -1 1 399.291 3.509 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001336699686 1052308343 /nfs/dbraw/zinc/30/83/43/1052308343.db2.gz QQOVZFZLFNJTKG-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3ccc(C)cc3)c2C)c1[N+](=O)[O-] ZINC001458463835 1063824627 /nfs/dbraw/zinc/82/46/27/1063824627.db2.gz RVYXDKHEFLLUIN-UHFFFAOYSA-N -1 1 381.392 3.713 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001458544904 1063881078 /nfs/dbraw/zinc/88/10/78/1063881078.db2.gz DXTNDYJELLIKJN-UHFFFAOYSA-N -1 1 382.247 3.929 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)cc1F ZINC001463413595 1064327903 /nfs/dbraw/zinc/32/79/03/1064327903.db2.gz SEHNFEHNTAYDAO-BBATYDOGSA-N -1 1 378.425 3.644 20 5 GHBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001470670611 1072679460 /nfs/dbraw/zinc/67/94/60/1072679460.db2.gz YZCWDWRKPFWMJN-GFCCVEGCSA-N -1 1 384.417 3.605 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)cc1F ZINC001474911215 1074628756 /nfs/dbraw/zinc/62/87/56/1074628756.db2.gz PBJQOMPWEYVQMK-UHFFFAOYSA-N -1 1 396.415 3.582 20 5 GHBDMM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)SC ZINC001475029516 1074694787 /nfs/dbraw/zinc/69/47/87/1074694787.db2.gz UKXOJIXZGLQDBF-UHFFFAOYSA-N -1 1 384.882 3.587 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001475535816 1074907803 /nfs/dbraw/zinc/90/78/03/1074907803.db2.gz LSGRJHHRZGNIEI-UHFFFAOYSA-N -1 1 395.437 3.557 20 5 GHBDMM CC[C@@H](N[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000828983393 601380291 /nfs/dbraw/zinc/38/02/91/601380291.db2.gz UYQYYSAZINPDOU-CXAGYDPISA-N -1 1 385.420 3.669 20 5 GHBDMM O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000823440222 606138297 /nfs/dbraw/zinc/13/82/97/606138297.db2.gz IIKXZZVGLIFJHG-UHFFFAOYSA-N -1 1 387.424 3.987 20 5 GHBDMM O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000823440222 606138299 /nfs/dbraw/zinc/13/82/99/606138299.db2.gz IIKXZZVGLIFJHG-UHFFFAOYSA-N -1 1 387.424 3.987 20 5 GHBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820462575 606699363 /nfs/dbraw/zinc/69/93/63/606699363.db2.gz YTKLAKKWJSWETG-ZCFIWIBFSA-N -1 1 398.185 3.789 20 5 GHBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820462575 606699364 /nfs/dbraw/zinc/69/93/64/606699364.db2.gz YTKLAKKWJSWETG-ZCFIWIBFSA-N -1 1 398.185 3.789 20 5 GHBDMM Cc1cccc(-c2cccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2)c1 ZINC000822284197 606706874 /nfs/dbraw/zinc/70/68/74/606706874.db2.gz LYGHCEIVTYDXNZ-UHFFFAOYSA-N -1 1 387.403 3.757 20 5 GHBDMM Cc1cccc(-c2cccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2)c1 ZINC000822284197 606706876 /nfs/dbraw/zinc/70/68/76/606706876.db2.gz LYGHCEIVTYDXNZ-UHFFFAOYSA-N -1 1 387.403 3.757 20 5 GHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(cnn3C(F)F)c2)s1 ZINC000611929691 835054623 /nfs/dbraw/zinc/05/46/23/835054623.db2.gz AOKLXYACYDWNLL-UHFFFAOYSA-N -1 1 388.377 3.548 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000582172226 836260588 /nfs/dbraw/zinc/26/05/88/836260588.db2.gz UYVOMPINKHXGDP-UHFFFAOYSA-N -1 1 394.449 3.710 20 5 GHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189745682 838392655 /nfs/dbraw/zinc/39/26/55/838392655.db2.gz LFHFEUMJHDOIBS-UHFFFAOYSA-N -1 1 397.659 3.873 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432291268 842550907 /nfs/dbraw/zinc/55/09/07/842550907.db2.gz IGLUZHBJJVTPFA-CYBMUJFWSA-N -1 1 388.367 3.609 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000071848737 845608049 /nfs/dbraw/zinc/60/80/49/845608049.db2.gz KICFNXCTFOWLEE-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cc1[N+](=O)[O-] ZINC000135517748 846800118 /nfs/dbraw/zinc/80/01/18/846800118.db2.gz XHAOKIYEIKOXCK-UHFFFAOYSA-N -1 1 382.348 3.518 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC000016097192 847322036 /nfs/dbraw/zinc/32/20/36/847322036.db2.gz HHLBDHSDGNOOLS-UHFFFAOYSA-N -1 1 396.424 3.975 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c1C ZINC000481578480 861782988 /nfs/dbraw/zinc/78/29/88/861782988.db2.gz CRRPSVSRWLNMMT-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(C)c1F ZINC000434969434 849956890 /nfs/dbraw/zinc/95/68/90/849956890.db2.gz YJWNFCSCGRAWBD-UHFFFAOYSA-N -1 1 390.396 3.542 20 5 GHBDMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000473662388 851529112 /nfs/dbraw/zinc/52/91/12/851529112.db2.gz QLAVMBGCNZHPIM-UHFFFAOYSA-N -1 1 384.298 3.684 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]c2ccccc2Br)cc1[N+](=O)[O-] ZINC000163904946 853624388 /nfs/dbraw/zinc/62/43/88/853624388.db2.gz JVCPODCOUHYBSK-UHFFFAOYSA-N -1 1 377.241 3.528 20 5 GHBDMM C[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])[C@H]1C ZINC000301478178 855119746 /nfs/dbraw/zinc/11/97/46/855119746.db2.gz CGTKWJPSWJZFFR-KBPBESRZSA-N -1 1 375.450 3.630 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(Cc3cccc(Cl)c3)CC2)cc1F ZINC001211867627 855507645 /nfs/dbraw/zinc/50/76/45/855507645.db2.gz FCJPXTKAAWLYQT-UHFFFAOYSA-N -1 1 398.843 3.749 20 5 GHBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1[N+](=O)[O-] ZINC000592351404 857161404 /nfs/dbraw/zinc/16/14/04/857161404.db2.gz QFNJEOIEEYWYMW-UHFFFAOYSA-N -1 1 391.449 3.533 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000485937975 857247244 /nfs/dbraw/zinc/24/72/44/857247244.db2.gz DYQFOKLAJGHWDV-NSHDSACASA-N -1 1 394.396 3.589 20 5 GHBDMM Cc1c(=O)[n-]c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000184870844 857603652 /nfs/dbraw/zinc/60/36/52/857603652.db2.gz SYEJSYLRHQPXAK-UHFFFAOYSA-N -1 1 381.413 3.629 20 5 GHBDMM CC(C)Oc1nc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000594566137 858223397 /nfs/dbraw/zinc/22/33/97/858223397.db2.gz DSUJRLQZCTYPHU-UHFFFAOYSA-N -1 1 385.420 3.582 20 5 GHBDMM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597944279 859947767 /nfs/dbraw/zinc/94/77/67/859947767.db2.gz KTVIXGAWXWJQQY-SFHVURJKSA-N -1 1 375.812 3.586 20 5 GHBDMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000484798635 860357458 /nfs/dbraw/zinc/35/74/58/860357458.db2.gz RIFRYHQTGDUNOT-QWRGUYRKSA-N -1 1 378.903 3.591 20 5 GHBDMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000730361171 861056759 /nfs/dbraw/zinc/05/67/59/861056759.db2.gz YMZGQNPRYZINNK-QMMMGPOBSA-N -1 1 399.186 3.791 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000479123872 867226221 /nfs/dbraw/zinc/22/62/21/867226221.db2.gz OHXYFFAWMAKKHN-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000445134356 867848260 /nfs/dbraw/zinc/84/82/60/867848260.db2.gz KAOSPMYVINPSHO-UHFFFAOYSA-N -1 1 381.363 3.677 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(C)c1 ZINC000462359664 869289095 /nfs/dbraw/zinc/28/90/95/869289095.db2.gz NKNONNMGYWPPFL-UHFFFAOYSA-N -1 1 387.417 3.651 20 5 GHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc([O-])c(Cl)c1 ZINC000122280376 869383549 /nfs/dbraw/zinc/38/35/49/869383549.db2.gz KKSMCJGXAVUIOE-UHFFFAOYSA-N -1 1 385.601 3.898 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000539854403 869921413 /nfs/dbraw/zinc/92/14/13/869921413.db2.gz BBTLQDOXFHVOEZ-SNVBAGLBSA-N -1 1 382.825 3.681 20 5 GHBDMM CNc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])cccc1[N+](=O)[O-] ZINC000462762925 870023112 /nfs/dbraw/zinc/02/31/12/870023112.db2.gz CMYFHMKCKKWFGA-UHFFFAOYSA-N -1 1 380.198 3.665 20 5 GHBDMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000746436259 870707708 /nfs/dbraw/zinc/70/77/08/870707708.db2.gz PAULFWQTXFKENV-UHFFFAOYSA-N -1 1 381.213 3.764 20 5 GHBDMM COc1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)c([N+](=O)[O-])cc1OC ZINC000776962616 882536685 /nfs/dbraw/zinc/53/66/85/882536685.db2.gz NYCACKQQJGRFNB-UHFFFAOYSA-N -1 1 394.796 3.522 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000768852943 873593591 /nfs/dbraw/zinc/59/35/91/873593591.db2.gz LHDTXVAZRJUFMK-MRVPVSSYSA-N -1 1 396.368 3.594 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1[N+](=O)[O-] ZINC000491585227 875807724 /nfs/dbraw/zinc/80/77/24/875807724.db2.gz BHBFBUKAVZFINJ-UHFFFAOYSA-N -1 1 378.406 3.520 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1[N+](=O)[O-] ZINC000491833473 875978128 /nfs/dbraw/zinc/97/81/28/875978128.db2.gz VTFGVJOBWDFJOM-UHFFFAOYSA-N -1 1 390.446 3.531 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000616062514 878449078 /nfs/dbraw/zinc/44/90/78/878449078.db2.gz NRLMLPFKESPVMQ-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000452807005 880081537 /nfs/dbraw/zinc/08/15/37/880081537.db2.gz BLNJVOLYIHEGQQ-UHFFFAOYSA-N -1 1 393.802 3.536 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000609872076 883758499 /nfs/dbraw/zinc/75/84/99/883758499.db2.gz XIDRVOVQOVCYRI-JTQLQIEISA-N -1 1 382.825 3.681 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000032097652 884210181 /nfs/dbraw/zinc/21/01/81/884210181.db2.gz SVCKUXIMVSZMJS-UHFFFAOYSA-N -1 1 375.406 3.969 20 5 GHBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000556351344 884552912 /nfs/dbraw/zinc/55/29/12/884552912.db2.gz WDJOTJIFGZKIKJ-UHFFFAOYSA-N -1 1 391.449 3.652 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1Cl ZINC000809385885 887359760 /nfs/dbraw/zinc/35/97/60/887359760.db2.gz RACRVTZERROMRE-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809817640 887842971 /nfs/dbraw/zinc/84/29/71/887842971.db2.gz ITNITQYUQAKXTP-RKDXNWHRSA-N -1 1 399.321 3.854 20 5 GHBDMM Cc1cc(F)cc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000122330923 889649810 /nfs/dbraw/zinc/64/98/10/889649810.db2.gz LQBUOSBLEJMVLS-UHFFFAOYSA-N -1 1 389.774 3.588 20 5 GHBDMM O=C([O-])/C=C\c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000917088233 891068487 /nfs/dbraw/zinc/06/84/87/891068487.db2.gz FXIVCYVVXGDNPI-YWEYNIOJSA-N -1 1 399.422 3.908 20 5 GHBDMM COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214256748 891392501 /nfs/dbraw/zinc/39/25/01/891392501.db2.gz JZVKKNDVOKRJLM-LZYBPNLTSA-N -1 1 386.385 3.506 20 5 GHBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000814997424 893330368 /nfs/dbraw/zinc/33/03/68/893330368.db2.gz OCYMDGWDJOAIAM-QMMMGPOBSA-N -1 1 378.834 3.797 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000537183663 894540095 /nfs/dbraw/zinc/54/00/95/894540095.db2.gz LAFLPKHEUWUHHB-NSHDSACASA-N -1 1 388.854 3.502 20 5 GHBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)c2)n1 ZINC000132496884 897808049 /nfs/dbraw/zinc/80/80/49/897808049.db2.gz BADALQCASPZWTD-UHFFFAOYSA-N -1 1 391.380 3.807 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)o1 ZINC000135407820 900237342 /nfs/dbraw/zinc/23/73/42/900237342.db2.gz XIMQEZSKVRRUAW-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000600662551 902793598 /nfs/dbraw/zinc/79/35/98/902793598.db2.gz OHMLUBYGLFAVAP-UHFFFAOYSA-N -1 1 376.434 3.598 20 5 GHBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3cccc(C)c3)c2C)c1[N+](=O)[O-] ZINC001186789434 914808762 /nfs/dbraw/zinc/80/87/62/914808762.db2.gz CCRQOYWUTMVYAG-UHFFFAOYSA-N -1 1 381.392 3.713 20 5 GHBDMM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000795284479 909697383 /nfs/dbraw/zinc/69/73/83/909697383.db2.gz RGGDFVTWTHNAOB-CQSZACIVSA-N -1 1 391.449 3.507 20 5 GHBDMM Cc1sc2[nH]c([C@@H](C)OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000780071720 921568933 /nfs/dbraw/zinc/56/89/33/921568933.db2.gz KBDPGRROHLIIQL-MRVPVSSYSA-N -1 1 389.389 3.546 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(SC(F)(F)F)o1 ZINC001182600250 911914689 /nfs/dbraw/zinc/91/46/89/911914689.db2.gz MHXDCDIMONMLKT-UHFFFAOYSA-N -1 1 399.310 3.837 20 5 GHBDMM O=C(Nc1ccccc1)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780074519 921719812 /nfs/dbraw/zinc/71/98/12/921719812.db2.gz FWOXZMDVUSKEQY-IBGZPJMESA-N -1 1 392.367 3.837 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@H]2C)cc1F ZINC001187676182 915433858 /nfs/dbraw/zinc/43/38/58/915433858.db2.gz XTQDRDZVBBMFNF-MGNBDDOMSA-N -1 1 396.415 3.783 20 5 GHBDMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001187875024 915600617 /nfs/dbraw/zinc/60/06/17/915600617.db2.gz KXDWENBSNOPXDC-KOLCDFICSA-N -1 1 399.321 3.854 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc4scnc4c3)no2)n[n-]c1C(F)(F)F ZINC001212972927 916164609 /nfs/dbraw/zinc/16/46/09/916164609.db2.gz MLCIEVWDRGVERV-UHFFFAOYSA-N -1 1 382.283 3.663 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372906413 925767604 /nfs/dbraw/zinc/76/76/04/925767604.db2.gz SMVCXHGOIVXXFZ-UHFFFAOYSA-N -1 1 383.404 3.736 20 5 GHBDMM Cc1cc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000758480415 930058342 /nfs/dbraw/zinc/05/83/42/930058342.db2.gz CYMSIJHKRKIMDW-INIZCTEOSA-N -1 1 382.388 3.611 20 5 GHBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001125104592 935526674 /nfs/dbraw/zinc/52/66/74/935526674.db2.gz KUHOSTMWSRBBIR-UHFFFAOYSA-N -1 1 398.400 3.527 20 5 GHBDMM CC(C)(C)c1cccc(OCCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001573884156 950788308 /nfs/dbraw/zinc/78/83/08/950788308.db2.gz KFFHKJXRHKYYJT-UHFFFAOYSA-N -1 1 382.424 3.563 20 5 GHBDMM CC(C)(C)c1cccc(OCCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001573884156 950788328 /nfs/dbraw/zinc/78/83/28/950788328.db2.gz KFFHKJXRHKYYJT-UHFFFAOYSA-N -1 1 382.424 3.563 20 5 GHBDMM C[C@H](Oc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC001593617114 995849639 /nfs/dbraw/zinc/84/96/39/995849639.db2.gz BGQSCADLEQQSIS-NSHDSACASA-N -1 1 398.337 3.755 20 5 GHBDMM COc1cc2ccccc2cc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599466882 998377384 /nfs/dbraw/zinc/37/73/84/998377384.db2.gz WIUYYTIPNASWCN-OAQYLSRUSA-N -1 1 380.400 3.846 20 5 GHBDMM COc1cc2ccccc2cc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599466880 998377776 /nfs/dbraw/zinc/37/77/76/998377776.db2.gz WIUYYTIPNASWCN-NRFANRHFSA-N -1 1 380.400 3.846 20 5 GHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(C)c1 ZINC000546611732 1016692165 /nfs/dbraw/zinc/69/21/65/1016692165.db2.gz HXCWZRBXVLLBBR-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227309392 1032366475 /nfs/dbraw/zinc/36/64/75/1032366475.db2.gz KTMZTEJJEIWKRV-OLZOCXBDSA-N -1 1 398.411 3.858 20 5 GHBDMM CCCOC(=O)[C@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227702740 1032522803 /nfs/dbraw/zinc/52/28/03/1032522803.db2.gz QQTDDCFZUFJJLJ-ZDUSSCGKSA-N -1 1 387.388 3.560 20 5 GHBDMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000778058930 1018103081 /nfs/dbraw/zinc/10/30/81/1018103081.db2.gz QBLRDTDBTPSFFN-HIFRSBDPSA-N -1 1 390.889 3.510 20 5 GHBDMM COc1cccc2c1[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])CCO2 ZINC001228858007 1033139625 /nfs/dbraw/zinc/13/96/25/1033139625.db2.gz AMBQELQUVZZEKQ-NSHDSACASA-N -1 1 386.282 3.625 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCCN(c2ccccc2)C1 ZINC001228860228 1033143007 /nfs/dbraw/zinc/14/30/07/1033143007.db2.gz ROOASUYYLOXDRH-GFCCVEGCSA-N -1 1 383.326 3.762 20 5 GHBDMM CC(C)(NC(=O)c1ccc(Br)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001141503004 1025299902 /nfs/dbraw/zinc/29/99/02/1025299902.db2.gz JPVJHTAEPZJTMO-UHFFFAOYSA-N -1 1 379.210 3.728 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ncc(Br)nc2N2CCCCC2)ccc1[O-] ZINC001210393102 1027484064 /nfs/dbraw/zinc/48/40/64/1027484064.db2.gz NYLHXTVIDQDUJK-UHFFFAOYSA-N -1 1 394.229 3.587 20 5 GHBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1ncc(Br)nc1Br ZINC001210948814 1027715361 /nfs/dbraw/zinc/71/53/61/1027715361.db2.gz DPQRBYNKMMOEQQ-UHFFFAOYSA-N -1 1 391.982 3.793 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001211289464 1027893139 /nfs/dbraw/zinc/89/31/39/1027893139.db2.gz DETAFRHQHLANAZ-UHFFFAOYSA-N -1 1 376.221 3.593 20 5 GHBDMM COc1ncc(Nc2ccc3nc4ccccc4cc3c2)cc1[N-]S(C)(=O)=O ZINC001216156577 1029545486 /nfs/dbraw/zinc/54/54/86/1029545486.db2.gz QAZIXQVJEWVAAB-UHFFFAOYSA-N -1 1 394.456 3.907 20 5 GHBDMM CC[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001151118765 1030774683 /nfs/dbraw/zinc/77/46/83/1030774683.db2.gz VMEBYJHWDFHHRL-CQSZACIVSA-N -1 1 379.210 3.944 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225808953 1031621397 /nfs/dbraw/zinc/62/13/97/1031621397.db2.gz VFDAGZAODBMLDH-ZDUSSCGKSA-N -1 1 381.388 3.504 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225808952 1031621848 /nfs/dbraw/zinc/62/18/48/1031621848.db2.gz VFDAGZAODBMLDH-CYBMUJFWSA-N -1 1 381.388 3.504 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513754 1033532474 /nfs/dbraw/zinc/53/24/74/1033532474.db2.gz AWNMCVVHLUWRPI-NSHDSACASA-N -1 1 395.371 3.532 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC001229749713 1033684644 /nfs/dbraw/zinc/68/46/44/1033684644.db2.gz HDAXUKXRNWPDLS-CYBMUJFWSA-N -1 1 378.425 3.777 20 5 GHBDMM CCOC(=O)[C@@H](CC(C)C)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229804007 1033729643 /nfs/dbraw/zinc/72/96/43/1033729643.db2.gz VBURNQNBZAJDPK-LJQANCHMSA-N -1 1 386.400 3.714 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229806508 1033731785 /nfs/dbraw/zinc/73/17/85/1033731785.db2.gz VCPILHAIAZIJFB-OCCSQVGLSA-N -1 1 398.411 3.858 20 5 GHBDMM CCOc1cc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OC ZINC001462290301 1070147145 /nfs/dbraw/zinc/14/71/45/1070147145.db2.gz FLQOCEFNZKEDTJ-UHFFFAOYSA-N -1 1 388.273 3.811 20 5 GHBDMM COC(=O)c1cc([O-])c(Br)c(O[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001233902335 1039693807 /nfs/dbraw/zinc/69/38/07/1039693807.db2.gz AAVZFEFSLLYETF-VIFPVBQESA-N -1 1 396.193 3.990 20 5 GHBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3CCCc4cccnc43)c12 ZINC001234119045 1039858964 /nfs/dbraw/zinc/85/89/64/1039858964.db2.gz KXRIJQKOOZYFBU-HNNXBMFYSA-N -1 1 391.379 3.914 20 5 GHBDMM COc1ccc([C@H](C)Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)cn1 ZINC001234740911 1040266901 /nfs/dbraw/zinc/26/69/01/1040266901.db2.gz CKAQVVJOJVVUAK-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM CC1(C)C(=O)CCC[C@@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751591 1040280932 /nfs/dbraw/zinc/28/09/32/1040280932.db2.gz YDERDTANMPUKJT-INIZCTEOSA-N -1 1 384.384 3.590 20 5 GHBDMM CC1(C)CCc2c(c(O)cc3oc4cc([O-])cc(O[C@@H]5CCOC5)c4c(=O)c32)O1 ZINC001234798685 1040328615 /nfs/dbraw/zinc/32/86/15/1040328615.db2.gz JEKLCMIEOLXSGW-GFCCVEGCSA-N -1 1 398.411 3.629 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)Cc4ccco4)cc3c(=O)c12 ZINC001234800510 1040332901 /nfs/dbraw/zinc/33/29/01/1040332901.db2.gz INWVJVKFIZNEOZ-NSHDSACASA-N -1 1 382.368 3.969 20 5 GHBDMM CN(CC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001308175004 1049901459 /nfs/dbraw/zinc/90/14/59/1049901459.db2.gz YTXNONDRPPJGQP-INIZCTEOSA-N -1 1 393.484 3.912 20 5 GHBDMM Cc1cccc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309715151 1050935827 /nfs/dbraw/zinc/93/58/27/1050935827.db2.gz RNVRWZXPPRBEQI-OAHLLOKOSA-N -1 1 380.853 3.913 20 5 GHBDMM CCOc1nc(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])co1 ZINC001459069891 1063992631 /nfs/dbraw/zinc/99/26/31/1063992631.db2.gz OPNSBAHSSMDTAA-UHFFFAOYSA-N -1 1 383.360 3.813 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccc3ccccc3n2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001468317047 1067682640 /nfs/dbraw/zinc/68/26/40/1067682640.db2.gz WMYSTEBHUUZDEE-UHFFFAOYSA-N -1 1 394.778 3.834 20 5 GHBDMM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001472588585 1073563297 /nfs/dbraw/zinc/56/32/97/1073563297.db2.gz GJFITSQNVCHKEV-UHFFFAOYSA-N -1 1 396.309 3.515 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCCc2ccccc2)cc1Cl ZINC001474802113 1074569690 /nfs/dbraw/zinc/56/96/90/1074569690.db2.gz IIMWXBABWZOBOY-UHFFFAOYSA-N -1 1 386.832 3.689 20 5 GHBDMM O=[N+]([O-])c1ccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nc1 ZINC000738368262 598854938 /nfs/dbraw/zinc/85/49/38/598854938.db2.gz BEDCLAPOUOIPJC-UHFFFAOYSA-N -1 1 379.405 3.511 20 5 GHBDMM O=C([O-])c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000740090853 600540221 /nfs/dbraw/zinc/54/02/21/600540221.db2.gz WAGUKYDZYZHGKZ-UHFFFAOYSA-N -1 1 386.751 3.589 20 5 GHBDMM Cc1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738477357 600613250 /nfs/dbraw/zinc/61/32/50/600613250.db2.gz YFEVTTAXXNVBGI-UHFFFAOYSA-N -1 1 386.385 3.555 20 5 GHBDMM O=[N+]([O-])c1ccc(Nc2ccccc2)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826499212 607548115 /nfs/dbraw/zinc/54/81/15/607548115.db2.gz ZVWJHEDLLNADBK-UHFFFAOYSA-N -1 1 388.391 3.526 20 5 GHBDMM O=[N+]([O-])c1ccc(Nc2ccccc2)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826499212 607548117 /nfs/dbraw/zinc/54/81/17/607548117.db2.gz ZVWJHEDLLNADBK-UHFFFAOYSA-N -1 1 388.391 3.526 20 5 GHBDMM Cc1nc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)ccc1[N+](=O)[O-] ZINC000822452820 606712205 /nfs/dbraw/zinc/71/22/05/606712205.db2.gz ALPAVVACAAGTCF-UHFFFAOYSA-N -1 1 393.432 3.819 20 5 GHBDMM Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000822238408 606720029 /nfs/dbraw/zinc/72/00/29/606720029.db2.gz GPRHBEYGHIASGT-UHFFFAOYSA-N -1 1 397.439 3.515 20 5 GHBDMM Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OCCC(C)C)c1 ZINC000822238408 606720031 /nfs/dbraw/zinc/72/00/31/606720031.db2.gz GPRHBEYGHIASGT-UHFFFAOYSA-N -1 1 397.439 3.515 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)OC(C)C ZINC000582083795 837769842 /nfs/dbraw/zinc/76/98/42/837769842.db2.gz MPJLZLYUOHZIKJ-UHFFFAOYSA-N -1 1 392.433 3.578 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1Br ZINC000120337462 835165611 /nfs/dbraw/zinc/16/56/11/835165611.db2.gz MUBCQIUOSYPSLT-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=C(c1ccc(Br)cc1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179928687 836376182 /nfs/dbraw/zinc/37/61/82/836376182.db2.gz JQFBUVHLNNVYBT-UHFFFAOYSA-N -1 1 391.221 3.868 20 5 GHBDMM CC(C)n1c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[n-]c1=S ZINC000066650256 836645043 /nfs/dbraw/zinc/64/50/43/836645043.db2.gz HUTJCQMJHYLJIF-UHFFFAOYSA-N -1 1 377.451 3.574 20 5 GHBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])on1 ZINC000481038761 838458559 /nfs/dbraw/zinc/45/85/59/838458559.db2.gz QSOHEHROLPLMMX-UHFFFAOYSA-N -1 1 381.454 3.582 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Br)c1 ZINC000047417783 844350754 /nfs/dbraw/zinc/35/07/54/844350754.db2.gz CQLDDBIFBQJNNN-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)cc1F ZINC001211659631 840727927 /nfs/dbraw/zinc/72/79/27/840727927.db2.gz UDTASDPWWJHDIP-QGZVFWFLSA-N -1 1 384.404 3.857 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1OCC ZINC000500147030 841523007 /nfs/dbraw/zinc/52/30/07/841523007.db2.gz XKJFKPKEIXBPOF-UHFFFAOYSA-N -1 1 380.422 3.501 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175971451 842489062 /nfs/dbraw/zinc/48/90/62/842489062.db2.gz AZNOVYMNBXQING-UHFFFAOYSA-N -1 1 395.272 3.790 20 5 GHBDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000471911238 843431265 /nfs/dbraw/zinc/43/12/65/843431265.db2.gz PDDZVABIMMFRCT-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)s1 ZINC000610663094 843440077 /nfs/dbraw/zinc/44/00/77/843440077.db2.gz CKZWOOSDYLLYBE-UHFFFAOYSA-N -1 1 384.826 3.501 20 5 GHBDMM Cc1cc(Br)c([O-])c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000182928858 845646494 /nfs/dbraw/zinc/64/64/94/845646494.db2.gz HIQPSURQTWFSRW-UHFFFAOYSA-N -1 1 395.209 3.779 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000539854017 846449439 /nfs/dbraw/zinc/44/94/39/846449439.db2.gz JHYLSHSXLHMFLZ-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM Cc1ccc(SCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000517911613 852594487 /nfs/dbraw/zinc/59/44/87/852594487.db2.gz IBCXDICZFZMOFV-UHFFFAOYSA-N -1 1 386.882 3.627 20 5 GHBDMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])c(C)cc3C)cc2s1 ZINC000427112386 852739825 /nfs/dbraw/zinc/73/98/25/852739825.db2.gz AALDMWUMBQQBRJ-UHFFFAOYSA-N -1 1 377.447 3.931 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC000438795476 852872935 /nfs/dbraw/zinc/87/29/35/852872935.db2.gz VFZRUIMDTMTXGE-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccc3ccccc3n2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590556879 855475294 /nfs/dbraw/zinc/47/52/94/855475294.db2.gz RYBVIMINZLXPEU-UHFFFAOYSA-N -1 1 394.778 3.834 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000388234471 857384073 /nfs/dbraw/zinc/38/40/73/857384073.db2.gz SLLWINIHGBHIOS-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM COc1ccc(F)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486195797 857529030 /nfs/dbraw/zinc/52/90/30/857529030.db2.gz UUMWVQFOJXDXKG-UHFFFAOYSA-N -1 1 375.175 3.819 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000534206338 866274904 /nfs/dbraw/zinc/27/49/04/866274904.db2.gz ACCTUWJEVZJCBZ-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000552955072 866551015 /nfs/dbraw/zinc/55/10/15/866551015.db2.gz MEIPVJWTQMYOSL-SNVBAGLBSA-N -1 1 396.852 3.989 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000742304487 867188490 /nfs/dbraw/zinc/18/84/90/867188490.db2.gz HRSKEYAPMXTUQF-INIZCTEOSA-N -1 1 380.441 3.769 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1[N+](=O)[O-] ZINC000479136271 867203418 /nfs/dbraw/zinc/20/34/18/867203418.db2.gz RTJFAALBFQFYAB-UHFFFAOYSA-N -1 1 378.454 3.783 20 5 GHBDMM O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000523839184 868118991 /nfs/dbraw/zinc/11/89/91/868118991.db2.gz SMSNSANUZPMJOD-MHZLTWQESA-N -1 1 383.429 3.624 20 5 GHBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1[O-] ZINC000445389065 868340474 /nfs/dbraw/zinc/34/04/74/868340474.db2.gz CBKSYOAVKURFBF-UHFFFAOYSA-N -1 1 392.165 3.789 20 5 GHBDMM COc1cc(C(=O)[N-]c2cc(F)cc(F)c2F)c([N+](=O)[O-])cc1OC(F)F ZINC000554072607 868674551 /nfs/dbraw/zinc/67/45/51/868674551.db2.gz UTRYGBTURWCPIW-UHFFFAOYSA-N -1 1 392.236 3.874 20 5 GHBDMM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Oc4ccccc4)ccc3[O-])n2)n1C ZINC000445612813 868742851 /nfs/dbraw/zinc/74/28/51/868742851.db2.gz NZJBLQJHUABRFB-UHFFFAOYSA-N -1 1 393.359 3.852 20 5 GHBDMM Cc1sc(C(=O)[N-]c2n[nH]c(-c3ccc4ccccc4n3)n2)cc1[N+](=O)[O-] ZINC000609091930 869234851 /nfs/dbraw/zinc/23/48/51/869234851.db2.gz JTKGVPJFRUZGHN-UHFFFAOYSA-N -1 1 380.389 3.550 20 5 GHBDMM C[C@H]1CC(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H](C)C1 ZINC001192336942 870297560 /nfs/dbraw/zinc/29/75/60/870297560.db2.gz JJVOPMZYUYWDJR-NXEZZACHSA-N -1 1 378.853 3.738 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000447271361 871297905 /nfs/dbraw/zinc/29/79/05/871297905.db2.gz NPLQDIJWFQXYAG-UHFFFAOYSA-N -1 1 398.412 3.639 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000447782465 872291215 /nfs/dbraw/zinc/29/12/15/872291215.db2.gz GPNVGJCKMIZWFF-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000619466221 872661512 /nfs/dbraw/zinc/66/15/12/872661512.db2.gz VNFOPVUNSMIYIQ-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000768431351 873300218 /nfs/dbraw/zinc/30/02/18/873300218.db2.gz SZXPZONEMXNTJG-UHFFFAOYSA-N -1 1 384.161 3.923 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cc1 ZINC000921205936 882718876 /nfs/dbraw/zinc/71/88/76/882718876.db2.gz LZAJVALMPBYLMV-UHFFFAOYSA-N -1 1 375.450 3.776 20 5 GHBDMM Cc1c(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000107199174 876321817 /nfs/dbraw/zinc/32/18/17/876321817.db2.gz NUGMBNNGLVUXBL-UHFFFAOYSA-N -1 1 399.388 3.506 20 5 GHBDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551473541 877269487 /nfs/dbraw/zinc/26/94/87/877269487.db2.gz DTIHUZPNBHTMMO-UHFFFAOYSA-N -1 1 376.434 3.896 20 5 GHBDMM O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001183285455 912429961 /nfs/dbraw/zinc/42/99/61/912429961.db2.gz PMAXYMRSRIIZMG-MGCOHNPYSA-N -1 1 382.203 3.678 20 5 GHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789756879 879237707 /nfs/dbraw/zinc/23/77/07/879237707.db2.gz HCAYKFBPRMESBG-UHFFFAOYSA-N -1 1 377.828 3.640 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000520038068 879269213 /nfs/dbraw/zinc/26/92/13/879269213.db2.gz 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Cc1ccnc(NC[C@H]2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000832983675 604263901 /nfs/dbraw/zinc/26/39/01/604263901.db2.gz DMGOOIVHBOMOGD-GFCCVEGCSA-N -1 1 390.827 3.588 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Sc2ccncc2)cc1 ZINC000823629936 606706219 /nfs/dbraw/zinc/70/62/19/606706219.db2.gz MQWDFNYTEFPLGJ-UHFFFAOYSA-N -1 1 393.388 3.508 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Sc2ccncc2)cc1 ZINC000823629936 606706220 /nfs/dbraw/zinc/70/62/20/606706220.db2.gz MQWDFNYTEFPLGJ-UHFFFAOYSA-N -1 1 393.388 3.508 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OC2CCCCC2)cc1 ZINC000823624762 606711589 /nfs/dbraw/zinc/71/15/89/606711589.db2.gz IQNXHVJNMCFESV-UHFFFAOYSA-N -1 1 381.396 3.625 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OC2CCCCC2)cc1 ZINC000823624762 606711590 /nfs/dbraw/zinc/71/15/90/606711590.db2.gz IQNXHVJNMCFESV-UHFFFAOYSA-N -1 1 381.396 3.625 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c(C)cc1[N+](=O)[O-] ZINC000414379384 837515356 /nfs/dbraw/zinc/51/53/56/837515356.db2.gz CVBIYYJVEKIOFR-OAHLLOKOSA-N -1 1 376.434 3.516 20 5 GHBDMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146626412 835116531 /nfs/dbraw/zinc/11/65/31/835116531.db2.gz CSJXSAUHRXKTAF-NSHDSACASA-N -1 1 384.841 3.686 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000051160602 838276441 /nfs/dbraw/zinc/27/64/41/838276441.db2.gz LDNZKYSLSNEEEV-UHFFFAOYSA-N -1 1 398.868 3.524 20 5 GHBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1C ZINC000134060293 838288645 /nfs/dbraw/zinc/28/86/45/838288645.db2.gz PXBHNPSHHNWPMY-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000611226283 844523489 /nfs/dbraw/zinc/52/34/89/844523489.db2.gz UHCHIIFPQFDIFJ-UHFFFAOYSA-N -1 1 399.428 3.767 20 5 GHBDMM CC(C)(C)c1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000277000271 844535732 /nfs/dbraw/zinc/53/57/32/844535732.db2.gz JTRGIRWZNBZSPQ-UHFFFAOYSA-N -1 1 385.243 3.759 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000112113735 842198761 /nfs/dbraw/zinc/19/87/61/842198761.db2.gz FAENIDRCFIQSDI-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603878306 861309593 /nfs/dbraw/zinc/30/95/93/861309593.db2.gz SNNBCFUMWYMWBX-LLVKDONJSA-N -1 1 384.417 3.810 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000050534563 842698985 /nfs/dbraw/zinc/69/89/85/842698985.db2.gz DGDXPIGDGHRVFD-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OC2CCCC2)ccc1[O-] ZINC000610897214 844769033 /nfs/dbraw/zinc/76/90/33/844769033.db2.gz IVQDWXXOJMMLTQ-UHFFFAOYSA-N -1 1 396.396 3.562 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000503127162 846831360 /nfs/dbraw/zinc/83/13/60/846831360.db2.gz SJUWBYZBMRAJPY-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)[nH]n2)c1 ZINC000434965066 849951950 /nfs/dbraw/zinc/95/19/50/849951950.db2.gz CUWYLRNITZMLKZ-UHFFFAOYSA-N -1 1 394.412 3.939 20 5 GHBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435430809 850514518 /nfs/dbraw/zinc/51/45/18/850514518.db2.gz ACCQOCSXUHPJKK-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@H](C2CC2)C1 ZINC000487179877 850544243 /nfs/dbraw/zinc/54/42/43/850544243.db2.gz QYNMSEWNZQMFMK-HNNXBMFYSA-N -1 1 387.461 3.632 20 5 GHBDMM COc1cc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000569824380 850661201 /nfs/dbraw/zinc/66/12/01/850661201.db2.gz AGNLKFOLVFRLNO-UHFFFAOYSA-N -1 1 384.432 3.756 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000519201786 850752296 /nfs/dbraw/zinc/75/22/96/850752296.db2.gz GOVNWTWKQXVOSI-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000028259997 851313040 /nfs/dbraw/zinc/31/30/40/851313040.db2.gz HKXFROSHFYZNQP-UHFFFAOYSA-N -1 1 392.433 3.726 20 5 GHBDMM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000509581763 853032510 /nfs/dbraw/zinc/03/25/10/853032510.db2.gz CVQVXNCLGQBAIA-UHFFFAOYSA-N -1 1 390.845 3.588 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000518699143 853655908 /nfs/dbraw/zinc/65/59/08/853655908.db2.gz QVHRLFFYXYBXRK-UHFFFAOYSA-N -1 1 397.250 3.647 20 5 GHBDMM Cc1ccc(-c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000589089380 854682098 /nfs/dbraw/zinc/68/20/98/854682098.db2.gz AICGPUDSVOURNC-UHFFFAOYSA-N -1 1 375.344 3.574 20 5 GHBDMM Cc1nccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1Cl ZINC000165254134 854792072 /nfs/dbraw/zinc/79/20/72/854792072.db2.gz MIIGOLTZWUMXKO-UHFFFAOYSA-N -1 1 395.746 3.771 20 5 GHBDMM C[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])[C@@H]1C ZINC000301478181 855118357 /nfs/dbraw/zinc/11/83/57/855118357.db2.gz CGTKWJPSWJZFFR-ZIAGYGMSSA-N -1 1 375.450 3.630 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001211866065 855389440 /nfs/dbraw/zinc/38/94/40/855389440.db2.gz YHLNCNPGGCHWJA-JKSUJKDBSA-N -1 1 392.452 3.986 20 5 GHBDMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc1 ZINC000733251800 862826442 /nfs/dbraw/zinc/82/64/42/862826442.db2.gz VYSWQYGILHFLOO-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000508073767 856893035 /nfs/dbraw/zinc/89/30/35/856893035.db2.gz MPDKYQBPTNFJAH-HNNXBMFYSA-N -1 1 399.350 3.658 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485941751 857233755 /nfs/dbraw/zinc/23/37/55/857233755.db2.gz QISZGDOOWVQUHA-SECBINFHSA-N -1 1 397.865 3.897 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000142056434 857795036 /nfs/dbraw/zinc/79/50/36/857795036.db2.gz ISPAXFMQRRSPEO-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2O1 ZINC000442844995 858162587 /nfs/dbraw/zinc/16/25/87/858162587.db2.gz XEQXQPQLBJAWFX-QGZVFWFLSA-N -1 1 378.406 3.601 20 5 GHBDMM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738206 861117450 /nfs/dbraw/zinc/11/74/50/861117450.db2.gz ORNKFZVNTZFIJN-ZWKOTPCHSA-N -1 1 376.453 3.853 20 5 GHBDMM CSCC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000736296757 865177783 /nfs/dbraw/zinc/17/77/83/865177783.db2.gz LTEKWYFBKDPFBI-ZDUSSCGKSA-N -1 1 395.506 3.949 20 5 GHBDMM O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444990905 867585615 /nfs/dbraw/zinc/58/56/15/867585615.db2.gz JZLUNGJPASSUIZ-KRWDZBQOSA-N -1 1 381.363 3.548 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000451054433 877286689 /nfs/dbraw/zinc/28/66/89/877286689.db2.gz LBEYVAUGRVXGCF-HNNXBMFYSA-N -1 1 376.434 3.516 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136185 877452711 /nfs/dbraw/zinc/45/27/11/877452711.db2.gz NSFAGVVDOBRDAG-ZDUSSCGKSA-N -1 1 390.795 3.956 20 5 GHBDMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)ccc12 ZINC000093909383 912511934 /nfs/dbraw/zinc/51/19/34/912511934.db2.gz RPEWCCHTAPSDAV-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)ccc12 ZINC000093909383 912511942 /nfs/dbraw/zinc/51/19/42/912511942.db2.gz RPEWCCHTAPSDAV-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c(Cl)cc1Cl ZINC000791420993 880400018 /nfs/dbraw/zinc/40/00/18/880400018.db2.gz XFUXKYPVYVMLEH-NSHDSACASA-N -1 1 391.232 3.851 20 5 GHBDMM CC(C)CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000531853972 880611189 /nfs/dbraw/zinc/61/11/89/880611189.db2.gz GHUIXONBCVGENW-UHFFFAOYSA-N -1 1 392.433 3.682 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000919953123 881241902 /nfs/dbraw/zinc/24/19/02/881241902.db2.gz GLNRBJSIDUXARV-ZBFHGGJFSA-N -1 1 378.425 3.739 20 5 GHBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000475829410 884772968 /nfs/dbraw/zinc/77/29/68/884772968.db2.gz HVRZZEXSKZGEHS-UHFFFAOYSA-N -1 1 398.824 3.650 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000761901281 884951140 /nfs/dbraw/zinc/95/11/40/884951140.db2.gz SARXFJVDXLNNFN-UHFFFAOYSA-N -1 1 394.836 3.876 20 5 GHBDMM CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000762316084 886003061 /nfs/dbraw/zinc/00/30/61/886003061.db2.gz SOZILYTZCNNQOW-UHFFFAOYSA-N -1 1 385.380 3.665 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC001211937064 887428464 /nfs/dbraw/zinc/42/84/64/887428464.db2.gz RZEZKFWUWDCLJS-CQSZACIVSA-N -1 1 390.795 3.841 20 5 GHBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000809810654 887819842 /nfs/dbraw/zinc/81/98/42/887819842.db2.gz HOWLVFHVCCZPPT-QMMMGPOBSA-N -1 1 378.834 3.797 20 5 GHBDMM CCSc1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000496468504 888827840 /nfs/dbraw/zinc/82/78/40/888827840.db2.gz KYFLBCZMTMILBV-UHFFFAOYSA-N -1 1 393.475 3.934 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1C ZINC000811832095 890018094 /nfs/dbraw/zinc/01/80/94/890018094.db2.gz KXKJRHDATAXFGG-UHFFFAOYSA-N -1 1 385.785 3.574 20 5 GHBDMM CN(Cc1ccoc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000497626404 892059733 /nfs/dbraw/zinc/05/97/33/892059733.db2.gz CCQHNPKUJSFYAC-UHFFFAOYSA-N -1 1 387.417 3.625 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1ccc([N+](=O)[O-])cc1F ZINC000065514430 896515705 /nfs/dbraw/zinc/51/57/05/896515705.db2.gz RYLHYCBNQJCRGZ-UHFFFAOYSA-N -1 1 377.335 3.925 20 5 GHBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000568496567 897889739 /nfs/dbraw/zinc/88/97/39/897889739.db2.gz OZWYUOLXDYJUTQ-UHFFFAOYSA-N -1 1 391.309 3.506 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000600673122 902810307 /nfs/dbraw/zinc/81/03/07/902810307.db2.gz COUHUHUTWMSQGF-CQSZACIVSA-N -1 1 376.359 3.951 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000578758483 904104091 /nfs/dbraw/zinc/10/40/91/904104091.db2.gz DDHBKQOBZFMVGC-GFCCVEGCSA-N -1 1 395.337 3.734 20 5 GHBDMM CC(C)c1cc(Br)ccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893246 911373549 /nfs/dbraw/zinc/37/35/49/911373549.db2.gz TVAMXPAXCFLOSQ-UHFFFAOYSA-N -1 1 378.186 3.921 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000780074515 921720306 /nfs/dbraw/zinc/72/03/06/921720306.db2.gz FTDDDVLAJQBCLK-MRVPVSSYSA-N -1 1 399.186 3.791 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000780076415 921757402 /nfs/dbraw/zinc/75/74/02/921757402.db2.gz QFCVICNXOYAIDL-VIFPVBQESA-N -1 1 398.293 3.503 20 5 GHBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)c1 ZINC001189235615 916484107 /nfs/dbraw/zinc/48/41/07/916484107.db2.gz PUXGPBIANAOFAW-UHFFFAOYSA-N -1 1 377.425 3.786 20 5 GHBDMM O=C(Nc1cc2cccnc2c2ncccc12)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190633761 917464427 /nfs/dbraw/zinc/46/44/27/917464427.db2.gz WHLPFNZYSZJHQP-UHFFFAOYSA-N -1 1 394.394 3.593 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000010514309 924225621 /nfs/dbraw/zinc/22/56/21/924225621.db2.gz IGVISJXGLBYFHS-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410419196 925637141 /nfs/dbraw/zinc/63/71/41/925637141.db2.gz OXKZVJFVFJCKHO-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752196015 928674601 /nfs/dbraw/zinc/67/46/01/928674601.db2.gz QCUZIDYBJZTJQR-UHFFFAOYSA-N -1 1 383.857 3.732 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1C ZINC000545904744 929658746 /nfs/dbraw/zinc/65/87/46/929658746.db2.gz FOQSCMLOXQNOAX-UHFFFAOYSA-N -1 1 387.417 3.651 20 5 GHBDMM O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000470199517 930448233 /nfs/dbraw/zinc/44/82/33/930448233.db2.gz DWXSWQZVMJUKGV-UHFFFAOYSA-N -1 1 379.241 3.838 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)cc1[N+](=O)[O-] ZINC000782259647 931144610 /nfs/dbraw/zinc/14/46/10/931144610.db2.gz BAEQJPPOMHUOPA-UHFFFAOYSA-N -1 1 399.837 3.667 20 5 GHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cc1 ZINC000782261341 931145333 /nfs/dbraw/zinc/14/53/33/931145333.db2.gz OQBOXKLEICZXJN-MDZDMXLPSA-N -1 1 383.223 3.770 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnc(-c2ccccc2F)s1 ZINC000784213379 931817926 /nfs/dbraw/zinc/81/79/26/931817926.db2.gz GERFBKGKWAZNOC-VIFPVBQESA-N -1 1 389.364 3.876 20 5 GHBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1[N+](=O)[O-] ZINC000778014709 934647330 /nfs/dbraw/zinc/64/73/30/934647330.db2.gz LWGJWXBDVKGRKS-SECBINFHSA-N -1 1 390.248 3.645 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001591790948 975979211 /nfs/dbraw/zinc/97/92/11/975979211.db2.gz CVRYCEBQZDILCU-LJQANCHMSA-N -1 1 376.384 3.611 20 5 GHBDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001599901005 984825646 /nfs/dbraw/zinc/82/56/46/984825646.db2.gz GQUFVORANWVYRM-ZUZCIYMTSA-N -1 1 379.210 3.834 20 5 GHBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001589467261 986925027 /nfs/dbraw/zinc/92/50/27/986925027.db2.gz BYBQEZDTYFUOQE-BDJLRTHQSA-N -1 1 393.237 3.909 20 5 GHBDMM CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598508457 992534644 /nfs/dbraw/zinc/53/46/44/992534644.db2.gz JCBQAQAXQRSQFE-OAHLLOKOSA-N -1 1 385.203 3.865 20 5 GHBDMM C[C@@H]1C[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952073 1021663147 /nfs/dbraw/zinc/66/31/47/1021663147.db2.gz JTMYXCBHQAXAHH-LMCGPQHNSA-N -1 1 385.258 3.677 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC001210319015 1027447065 /nfs/dbraw/zinc/44/70/65/1027447065.db2.gz HHAWRMWIWAKSLV-MFKMUULPSA-N -1 1 376.837 3.634 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](c1ccccc1)C(F)(F)F ZINC001226307123 1031910596 /nfs/dbraw/zinc/91/05/96/1031910596.db2.gz FMJFATOXZFPXAY-ZDUSSCGKSA-N -1 1 386.282 3.555 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1cc(-c2ccccc2)no1 ZINC001226324529 1031916997 /nfs/dbraw/zinc/91/69/97/1031916997.db2.gz KKQHCMULDMPEBH-LLVKDONJSA-N -1 1 399.359 3.667 20 5 GHBDMM CC(C)Oc1ncc(Br)cc1COc1cc([N+](=O)[O-])ccc1[O-] ZINC001229400301 1033458054 /nfs/dbraw/zinc/45/80/54/1033458054.db2.gz UDAKLUOHUFYGKI-UHFFFAOYSA-N -1 1 383.198 3.824 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3CC[C@@H]([C@H]2F)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001229750265 1033685092 /nfs/dbraw/zinc/68/50/92/1033685092.db2.gz LWKJAUIRHHXUOB-CZAMWMTLSA-N -1 1 396.415 3.866 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@@H]3CC[C@]4(CCCCO4)O3)c(O)cc12 ZINC001229806080 1033731925 /nfs/dbraw/zinc/73/19/25/1033731925.db2.gz RZFBPMYZWPBGRX-FPTDNZKUSA-N -1 1 398.411 3.812 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258794 1034489535 /nfs/dbraw/zinc/48/95/35/1034489535.db2.gz CNFUUPZXOUGCBR-LIRRHRJNSA-N -1 1 393.440 3.562 20 5 GHBDMM Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1Oc1ccc(F)cc1 ZINC001160644873 1035024537 /nfs/dbraw/zinc/02/45/37/1035024537.db2.gz DLXDIKOQDRWKNN-UHFFFAOYSA-N -1 1 397.362 3.865 20 5 GHBDMM CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(OC[C@H]2CCO2)c1[O-] ZINC001234332447 1039971063 /nfs/dbraw/zinc/97/10/63/1039971063.db2.gz VTYBDMWSMYJGKV-CYBMUJFWSA-N -1 1 398.411 3.739 20 5 GHBDMM CCOC(=O)[C@@H](CC(C)C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742807 1040270091 /nfs/dbraw/zinc/27/00/91/1040270091.db2.gz SQTGRJVUWJKYDY-QGZVFWFLSA-N -1 1 386.400 3.714 20 5 GHBDMM CCCCOC[C@H](C)Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC001234747471 1040272543 /nfs/dbraw/zinc/27/25/43/1040272543.db2.gz AYUNDFDUBQRDTN-LBPRGKRZSA-N -1 1 388.416 3.950 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(OC[C@@H]4CCC(C)(C)O4)cc3c(=O)c12 ZINC001234797156 1040328083 /nfs/dbraw/zinc/32/80/83/1040328083.db2.gz BTJZUDPASJHNRQ-LBPRGKRZSA-N -1 1 386.400 3.702 20 5 GHBDMM CC(C)Oc1cc(COc2c([O-])cc(Br)cc2[N+](=O)[O-])ccn1 ZINC001234874176 1040387222 /nfs/dbraw/zinc/38/72/22/1040387222.db2.gz JSOMERFLOVTHMU-UHFFFAOYSA-N -1 1 383.198 3.824 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000749299348 1047696252 /nfs/dbraw/zinc/69/62/52/1047696252.db2.gz HXOZEPPQFDZGIY-ZDUSSCGKSA-N -1 1 399.812 3.586 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001306056361 1048377656 /nfs/dbraw/zinc/37/76/56/1048377656.db2.gz PEVNQPGORAVCSJ-UHFFFAOYSA-N -1 1 386.408 3.863 20 5 GHBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(C)c1 ZINC001309105396 1050358535 /nfs/dbraw/zinc/35/85/35/1050358535.db2.gz NNOOPZOBGHKYSO-UHFFFAOYSA-N -1 1 386.832 3.525 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)c(Cl)cc1Cl ZINC001309688015 1050920771 /nfs/dbraw/zinc/92/07/71/1050920771.db2.gz DAVXDKIPVXSGOF-LPEHRKFASA-N -1 1 379.265 3.616 20 5 GHBDMM COc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c([N+](=O)[O-])cc1F ZINC001447757407 1060022278 /nfs/dbraw/zinc/02/22/78/1060022278.db2.gz YAGWHJREDYRBFF-UHFFFAOYSA-N -1 1 390.245 3.599 20 5 GHBDMM O=C(NCC1(c2ccccc2Cl)CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457736188 1063334010 /nfs/dbraw/zinc/33/40/10/1063334010.db2.gz OWPPTVIOEAJHEK-UHFFFAOYSA-N -1 1 389.839 3.981 20 5 GHBDMM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001463730537 1064576282 /nfs/dbraw/zinc/57/62/82/1064576282.db2.gz JJXMCCICVWVNMP-NSHDSACASA-N -1 1 391.287 3.771 20 5 GHBDMM CC1(C)C[C@]1([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001464149122 1064863153 /nfs/dbraw/zinc/86/31/53/1064863153.db2.gz GYKALPKGSXPEJP-KRWDZBQOSA-N -1 1 398.843 3.991 20 5 GHBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC001360122138 1068374013 /nfs/dbraw/zinc/37/40/13/1068374013.db2.gz WZKWWDYKUGLBFL-UHFFFAOYSA-N -1 1 390.371 3.876 20 5 GHBDMM CCCCOc1cccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001474845645 1074590246 /nfs/dbraw/zinc/59/02/46/1074590246.db2.gz KDWQXKHZDPKHRR-UHFFFAOYSA-N -1 1 396.440 3.700 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2[C@H](c3ccccc3)C2(C)C)cc1F ZINC001475371665 1074852346 /nfs/dbraw/zinc/85/23/46/1074852346.db2.gz CJLQNGYKJXTABL-KSSFIOAISA-N -1 1 392.452 3.760 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001475387461 1074857216 /nfs/dbraw/zinc/85/72/16/1074857216.db2.gz QMSWEWQUUGVGLB-ZFWWWQNUSA-N -1 1 395.868 3.648 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)s1 ZINC001475394291 1074859308 /nfs/dbraw/zinc/85/93/08/1074859308.db2.gz RBVVWTZLTAOXCF-LBPRGKRZSA-N -1 1 398.359 3.686 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@]12C[C@H]1CCCC2 ZINC001475575959 1074918462 /nfs/dbraw/zinc/91/84/62/1074918462.db2.gz WVXTVIBUUFMCLJ-WMFXKJRFSA-N -1 1 376.837 3.634 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC001475786105 1075021513 /nfs/dbraw/zinc/02/15/13/1075021513.db2.gz ASSNIFPMSVBLND-STQMWFEESA-N -1 1 398.843 3.544 20 5 GHBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006177500 212068062 /nfs/dbraw/zinc/06/80/62/212068062.db2.gz OPTGZHNSUGTFCN-UHFFFAOYSA-N -1 1 397.412 3.648 20 5 GHBDMM C[C@@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736665141 600080053 /nfs/dbraw/zinc/08/00/53/600080053.db2.gz VHIDJXDGOMBQKG-INIZCTEOSA-N -1 1 397.200 3.586 20 5 GHBDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000832916042 601368992 /nfs/dbraw/zinc/36/89/92/601368992.db2.gz KJPJQDJDRLKEJX-ZIAGYGMSSA-N -1 1 385.420 3.588 20 5 GHBDMM O=C([O-])N1CCC([C@@H](NCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)CC1 ZINC000834073051 605984138 /nfs/dbraw/zinc/98/41/38/605984138.db2.gz FCUPRTFDMWZALW-IBGZPJMESA-N -1 1 387.411 3.955 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H](c1ccccc1)C1CCCCC1 ZINC000823619881 606698726 /nfs/dbraw/zinc/69/87/26/606698726.db2.gz CNBZQKVETFKHMS-INIZCTEOSA-N -1 1 379.424 3.903 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H](c1ccccc1)C1CCCCC1 ZINC000823619881 606698728 /nfs/dbraw/zinc/69/87/28/606698728.db2.gz CNBZQKVETFKHMS-INIZCTEOSA-N -1 1 379.424 3.903 20 5 GHBDMM Cc1cccc(-c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)c1 ZINC000822284569 606711127 /nfs/dbraw/zinc/71/11/27/606711127.db2.gz VIGMPRZEYCFDHP-UHFFFAOYSA-N -1 1 387.403 3.757 20 5 GHBDMM Cc1cccc(-c2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)c1 ZINC000822284569 606711128 /nfs/dbraw/zinc/71/11/28/606711128.db2.gz VIGMPRZEYCFDHP-UHFFFAOYSA-N -1 1 387.403 3.757 20 5 GHBDMM Cc1ccc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cn1 ZINC000052360109 834399768 /nfs/dbraw/zinc/39/97/68/834399768.db2.gz FRPUWZMYTIKPOH-UHFFFAOYSA-N -1 1 398.444 3.711 20 5 GHBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc2)n1 ZINC000579981429 838245117 /nfs/dbraw/zinc/24/51/17/838245117.db2.gz OHCQYCABNWILMC-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)c(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000580344640 839337133 /nfs/dbraw/zinc/33/71/33/839337133.db2.gz QGDZCPBLKKHCJD-VIFPVBQESA-N -1 1 390.795 3.874 20 5 GHBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc2ccccc2c2cccnc12 ZINC000067079748 844564063 /nfs/dbraw/zinc/56/40/63/844564063.db2.gz KUONPQJOJMZKOH-UHFFFAOYSA-N -1 1 389.484 3.949 20 5 GHBDMM Cc1sc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000106704760 841074259 /nfs/dbraw/zinc/07/42/59/841074259.db2.gz CKKSJBOAWBTKFC-UHFFFAOYSA-N -1 1 378.410 3.798 20 5 GHBDMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000107165491 841194728 /nfs/dbraw/zinc/19/47/28/841194728.db2.gz MADSZQXBOZKIMS-UHFFFAOYSA-N -1 1 376.344 3.568 20 5 GHBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000107539534 841377175 /nfs/dbraw/zinc/37/71/75/841377175.db2.gz IHIDSBFMTVBDKY-UHFFFAOYSA-N -1 1 397.412 3.648 20 5 GHBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nc(-c3ccsc3)ns2)cc1[N+](=O)[O-] ZINC000109111307 841785440 /nfs/dbraw/zinc/78/54/40/841785440.db2.gz DIYXQPSWRDUHJF-UHFFFAOYSA-N -1 1 391.390 3.644 20 5 GHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(OCC(F)(F)F)c2)s1 ZINC000302195949 861236614 /nfs/dbraw/zinc/23/66/14/861236614.db2.gz SNLDCLKLNAHLIA-UHFFFAOYSA-N -1 1 396.368 3.745 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c1C ZINC000513432398 845426710 /nfs/dbraw/zinc/42/67/10/845426710.db2.gz QTIZALQBCUFCLN-UHFFFAOYSA-N -1 1 386.376 3.922 20 5 GHBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3ccccc3F)c2C)c1[N+](=O)[O-] ZINC000434960505 849948558 /nfs/dbraw/zinc/94/85/58/849948558.db2.gz UGSVASJGWDVPGL-UHFFFAOYSA-N -1 1 385.355 3.543 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000604467699 862210006 /nfs/dbraw/zinc/21/00/06/862210006.db2.gz FPODYXJPHFQRSY-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438074565 851145293 /nfs/dbraw/zinc/14/52/93/851145293.db2.gz NMWKAXBOEWTDBY-UHFFFAOYSA-N -1 1 382.323 3.739 20 5 GHBDMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427255615 852908420 /nfs/dbraw/zinc/90/84/20/852908420.db2.gz GSXCIYGTODQSNB-AAEUAGOBSA-N -1 1 378.903 3.591 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sc(Cl)cc32)s1 ZINC000490424919 853007717 /nfs/dbraw/zinc/00/77/17/853007717.db2.gz WNVLCRUXFKQHTD-MRVPVSSYSA-N -1 1 378.884 3.727 20 5 GHBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC001211867848 855516927 /nfs/dbraw/zinc/51/69/27/855516927.db2.gz MIKIBANXCBYPMW-NSHDSACASA-N -1 1 387.672 3.501 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1Cl ZINC000733123001 862750202 /nfs/dbraw/zinc/75/02/02/862750202.db2.gz MQNPOYAVLUMLDE-UHFFFAOYSA-N -1 1 382.825 3.838 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000174998460 857420094 /nfs/dbraw/zinc/42/00/94/857420094.db2.gz VYCNYAWPLYPJMD-UHFFFAOYSA-N -1 1 391.449 3.607 20 5 GHBDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000521693720 858236352 /nfs/dbraw/zinc/23/63/52/858236352.db2.gz VKUWOPNUZPGKEV-ZETCQYMHSA-N -1 1 395.347 3.931 20 5 GHBDMM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000522016697 858538558 /nfs/dbraw/zinc/53/85/58/858538558.db2.gz OBXHZXVXAFGNRW-UHFFFAOYSA-N -1 1 378.357 3.829 20 5 GHBDMM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428877389 860149341 /nfs/dbraw/zinc/14/93/41/860149341.db2.gz AQSMPXRWCYXBKS-GFCCVEGCSA-N -1 1 379.800 3.777 20 5 GHBDMM CC(C)Cc1nnc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])s1 ZINC000599133313 860833865 /nfs/dbraw/zinc/83/38/65/860833865.db2.gz UVXIRMSNNXDLIH-UHFFFAOYSA-N -1 1 385.243 3.660 20 5 GHBDMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000161691357 861170115 /nfs/dbraw/zinc/17/01/15/861170115.db2.gz JDUGRIYZIZBHRH-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM COc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])cccc1[N+](=O)[O-] ZINC000476559161 881971200 /nfs/dbraw/zinc/97/12/00/881971200.db2.gz DHSCMQBFYDQUFK-UHFFFAOYSA-N -1 1 381.182 3.632 20 5 GHBDMM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462490336 869548169 /nfs/dbraw/zinc/54/81/69/869548169.db2.gz MEBUKDANBQCNHZ-UHFFFAOYSA-N -1 1 379.276 3.604 20 5 GHBDMM COC(=O)c1coc(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 ZINC000446423315 869851217 /nfs/dbraw/zinc/85/12/17/869851217.db2.gz DCRADJSRRZBVPQ-UHFFFAOYSA-N -1 1 396.355 3.806 20 5 GHBDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC001192336943 870298374 /nfs/dbraw/zinc/29/83/74/870298374.db2.gz JJVOPMZYUYWDJR-URLYPYJESA-N -1 1 378.853 3.738 20 5 GHBDMM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000768867033 873630956 /nfs/dbraw/zinc/63/09/56/873630956.db2.gz XBILUVZHLXZOJX-UHFFFAOYSA-N -1 1 394.836 3.986 20 5 GHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000491596786 875830168 /nfs/dbraw/zinc/83/01/68/875830168.db2.gz OCSCPTDGYHJQKH-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc2O1 ZINC000785488659 876072779 /nfs/dbraw/zinc/07/27/79/876072779.db2.gz OXMPNBGJMJIZIP-KRWDZBQOSA-N -1 1 396.396 3.741 20 5 GHBDMM CCOC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000444002522 877492760 /nfs/dbraw/zinc/49/27/60/877492760.db2.gz OKXPCSJDALMETD-UHFFFAOYSA-N -1 1 393.465 3.623 20 5 GHBDMM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000616041066 878459402 /nfs/dbraw/zinc/45/94/02/878459402.db2.gz FOPHJVIMIGNKKQ-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM Cc1c(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000068435753 878511921 /nfs/dbraw/zinc/51/19/21/878511921.db2.gz YWIQHDLRMCRTAU-UHFFFAOYSA-N -1 1 389.481 3.758 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1[N+](=O)[O-] ZINC000617203410 879505728 /nfs/dbraw/zinc/50/57/28/879505728.db2.gz HYBBHFROTZYJKQ-UHFFFAOYSA-N -1 1 396.375 3.757 20 5 GHBDMM O=C(Nc1cc(Br)ccc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000531492699 879963998 /nfs/dbraw/zinc/96/39/98/879963998.db2.gz OCDMDZVEWJWKBH-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Cl)cc1Cl ZINC000791431756 880400233 /nfs/dbraw/zinc/40/02/33/880400233.db2.gz LMRZOOXFXFJRMD-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1c1ccccc1 ZINC000919953122 881243027 /nfs/dbraw/zinc/24/30/27/881243027.db2.gz GLNRBJSIDUXARV-HOCLYGCPSA-N -1 1 378.425 3.739 20 5 GHBDMM O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609417164 883173568 /nfs/dbraw/zinc/17/35/68/883173568.db2.gz KAHPGIQLULAGHF-UHFFFAOYSA-N -1 1 380.332 3.900 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)s1 ZINC000551202737 883476892 /nfs/dbraw/zinc/47/68/92/883476892.db2.gz KBHNZHVTGDDATE-UHFFFAOYSA-N -1 1 380.900 3.672 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1F ZINC000760362503 884003837 /nfs/dbraw/zinc/00/38/37/884003837.db2.gz KJWCABOJQCCSJX-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000498956245 886177469 /nfs/dbraw/zinc/17/74/69/886177469.db2.gz KKGVLEWWCJNTKA-UHFFFAOYSA-N -1 1 394.412 3.735 20 5 GHBDMM Cc1ccc(-c2cc(=NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[nH][n-]2)s1 ZINC000495860747 887204347 /nfs/dbraw/zinc/20/43/47/887204347.db2.gz CQAPXCJFHFWHJA-UHFFFAOYSA-N -1 1 394.359 3.630 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Br ZINC000316652258 887336768 /nfs/dbraw/zinc/33/67/68/887336768.db2.gz HXUCKPNNPKVZGD-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000762953947 887365229 /nfs/dbraw/zinc/36/52/29/887365229.db2.gz RRXOTKOYZOZHRZ-UHFFFAOYSA-N -1 1 394.840 3.980 20 5 GHBDMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000809823604 887876659 /nfs/dbraw/zinc/87/66/59/887876659.db2.gz QDLFCWIZFHPJFY-SSDOTTSWSA-N -1 1 396.277 3.706 20 5 GHBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760271625 888644020 /nfs/dbraw/zinc/64/40/20/888644020.db2.gz FSKVTHDCVKOGMY-ZDUSSCGKSA-N -1 1 386.433 3.897 20 5 GHBDMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000811831772 890016321 /nfs/dbraw/zinc/01/63/21/890016321.db2.gz GXORTQGTPYIBNQ-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1[N+](=O)[O-] ZINC000811831881 890017712 /nfs/dbraw/zinc/01/77/12/890017712.db2.gz IQXRZDSENDZNPE-UHFFFAOYSA-N -1 1 385.785 3.574 20 5 GHBDMM Cc1nc(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)sc1C(=O)[O-] ZINC000872165536 891190270 /nfs/dbraw/zinc/19/02/70/891190270.db2.gz XOMMZTDIRAHHQS-GFCCVEGCSA-N -1 1 375.450 3.999 20 5 GHBDMM Cc1nc2cc(F)cc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)c2nc1C ZINC000917631840 892352757 /nfs/dbraw/zinc/35/27/57/892352757.db2.gz YBSHLSCGKSXLPU-UHFFFAOYSA-N -1 1 376.294 3.824 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000815012750 893337423 /nfs/dbraw/zinc/33/74/23/893337423.db2.gz HVFWLHUJSYVNES-UHFFFAOYSA-N -1 1 384.772 3.612 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C ZINC000194631196 893622066 /nfs/dbraw/zinc/62/20/66/893622066.db2.gz HKLFBGGYXMUAAQ-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM O=C([N-]c1ccccc1SC[C@H]1CC1(Cl)Cl)c1n[nH]cc1[N+](=O)[O-] ZINC001136328930 897276839 /nfs/dbraw/zinc/27/68/39/897276839.db2.gz HCMPGHSOITZIIG-MRVPVSSYSA-N -1 1 387.248 3.856 20 5 GHBDMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800051090 898537749 /nfs/dbraw/zinc/53/77/49/898537749.db2.gz GDKHMDZQEWJYDE-UHFFFAOYSA-N -1 1 386.788 3.699 20 5 GHBDMM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800052393 898538808 /nfs/dbraw/zinc/53/88/08/898538808.db2.gz UXFOBLLIAABLHR-UHFFFAOYSA-N -1 1 375.381 3.700 20 5 GHBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000800052144 898539254 /nfs/dbraw/zinc/53/92/54/898539254.db2.gz IOKWWFPAXKQTGN-UHFFFAOYSA-N -1 1 376.768 3.777 20 5 GHBDMM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000822691933 898568546 /nfs/dbraw/zinc/56/85/46/898568546.db2.gz OSELZUOPDVAVTN-UHFFFAOYSA-N -1 1 397.844 3.608 20 5 GHBDMM CC(C)N(Cc1cccc(Br)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600839121 902986995 /nfs/dbraw/zinc/98/69/95/902986995.db2.gz HRKQIQKWFAFMDA-UHFFFAOYSA-N -1 1 394.225 3.509 20 5 GHBDMM CCOc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCC ZINC000299153122 921226007 /nfs/dbraw/zinc/22/60/07/921226007.db2.gz UKPRJDOWACFRTN-UHFFFAOYSA-N -1 1 398.213 3.735 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001175576515 907642667 /nfs/dbraw/zinc/64/26/67/907642667.db2.gz DWXYVISOZXQBRE-WMLDXEAASA-N -1 1 391.468 3.522 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000192713592 907862405 /nfs/dbraw/zinc/86/24/05/907862405.db2.gz XWOLTRIDJTXBSJ-UHFFFAOYSA-N -1 1 389.462 3.833 20 5 GHBDMM CC(C)Oc1cc(Br)ccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212892876 911379283 /nfs/dbraw/zinc/37/92/83/911379283.db2.gz AFYPLCQDPOQEDP-UHFFFAOYSA-N -1 1 394.185 3.585 20 5 GHBDMM O=C([N-]c1cc(-c2ccc(Br)o2)no1)c1ccc([N+](=O)[O-])s1 ZINC001182985962 912198880 /nfs/dbraw/zinc/19/88/80/912198880.db2.gz FMWRCTAITTWKPU-UHFFFAOYSA-N -1 1 384.167 3.919 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000303809272 915157766 /nfs/dbraw/zinc/15/77/66/915157766.db2.gz NFSLMNAOTJDPQO-CYBMUJFWSA-N -1 1 390.795 3.956 20 5 GHBDMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001187874790 915600679 /nfs/dbraw/zinc/60/06/79/915600679.db2.gz HBYJHKVARVIVTH-DGCLKSJQSA-N -1 1 396.893 3.730 20 5 GHBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1NC(=O)OC(C)(C)C ZINC000298944079 921078221 /nfs/dbraw/zinc/07/82/21/921078221.db2.gz IZFMEQJRHJMVQT-UHFFFAOYSA-N -1 1 376.369 3.531 20 5 GHBDMM CC(=CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752560657 928893688 /nfs/dbraw/zinc/89/36/88/928893688.db2.gz ULXSTOYFNFJEJY-CCEZHUSRSA-N -1 1 394.427 3.825 20 5 GHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cccc([N+](=O)[O-])c1Br ZINC000757894794 929844483 /nfs/dbraw/zinc/84/44/83/929844483.db2.gz LRQFXYTUUQEONS-UHFFFAOYSA-N -1 1 395.194 3.721 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000783841763 931687149 /nfs/dbraw/zinc/68/71/49/931687149.db2.gz LHMCVVXXFFMJQD-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1OC ZINC001589459045 954857864 /nfs/dbraw/zinc/85/78/64/954857864.db2.gz SXQSMKSWKJHYRI-KKUMJFAQSA-N -1 1 394.468 3.713 20 5 GHBDMM O=C([O-])c1ccccc1C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001606521509 974018704 /nfs/dbraw/zinc/01/87/04/974018704.db2.gz KOUVNEYKUWCURU-UHFFFAOYSA-N -1 1 385.376 3.581 20 5 GHBDMM CN1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598585974 993383416 /nfs/dbraw/zinc/38/34/16/993383416.db2.gz MXRXVZSVYBQBCO-TUUMFTSESA-N -1 1 385.395 3.689 20 5 GHBDMM C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593699703 996171870 /nfs/dbraw/zinc/17/18/70/996171870.db2.gz WJJIZYBEQHLJHC-LBPRGKRZSA-N -1 1 378.812 3.905 20 5 GHBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H](C)c3ncccn3)c([N+](=O)[O-])c2)cc1 ZINC001227699663 1032521614 /nfs/dbraw/zinc/52/16/14/1032521614.db2.gz ITCBETDXJUJUKT-CYBMUJFWSA-N -1 1 379.372 3.770 20 5 GHBDMM 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ADEPSHRFSRHXCY-IBGZPJMESA-N -1 1 388.383 3.696 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000158530719 847602440 /nfs/dbraw/zinc/60/24/40/847602440.db2.gz RGGJZUVMXRQHBB-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2ccccc2F)on1 ZINC000604115548 861836488 /nfs/dbraw/zinc/83/64/88/861836488.db2.gz OBSDFIMCDTYEMI-UHFFFAOYSA-N -1 1 399.334 3.803 20 5 GHBDMM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000503834581 847959900 /nfs/dbraw/zinc/95/99/00/847959900.db2.gz WSLALQIDLDGWAB-VIFPVBQESA-N -1 1 394.396 3.585 20 5 GHBDMM CC(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC001211560679 848570044 /nfs/dbraw/zinc/57/00/44/848570044.db2.gz JQSZENYJNMCZHY-UHFFFAOYSA-N -1 1 386.832 3.989 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000176462972 849218054 /nfs/dbraw/zinc/21/80/54/849218054.db2.gz NCRNWXPDAJQREU-UHFFFAOYSA-N -1 1 384.373 3.532 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000518809304 850176288 /nfs/dbraw/zinc/17/62/88/850176288.db2.gz NLNABJITBPFWGE-GFCCVEGCSA-N -1 1 395.337 3.734 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1F ZINC000764508993 859475300 /nfs/dbraw/zinc/47/53/00/859475300.db2.gz PMFHEEAVTDYZHI-UHFFFAOYSA-N -1 1 390.371 3.876 20 5 GHBDMM C[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@H]1F ZINC000611494359 859779385 /nfs/dbraw/zinc/77/93/85/859779385.db2.gz OFYSVOLHDMNYTM-XJKSGUPXSA-N -1 1 393.440 3.580 20 5 GHBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1c([O-])cc(Br)cc1Cl ZINC000552198588 860009325 /nfs/dbraw/zinc/00/93/25/860009325.db2.gz NBCJDPWFVCVJDF-UHFFFAOYSA-N -1 1 385.601 3.898 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c(C)c1[N+](=O)[O-] ZINC000598717812 860527161 /nfs/dbraw/zinc/52/71/61/860527161.db2.gz RMYKDIDIENMNLC-OAHLLOKOSA-N -1 1 376.434 3.516 20 5 GHBDMM 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393.440 3.705 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CCC(c2ccccc2)CC1 ZINC001209480403 1035287435 /nfs/dbraw/zinc/28/74/35/1035287435.db2.gz OIGUPQMMMLJQNC-UHFFFAOYSA-N -1 1 392.452 3.986 20 5 GHBDMM COC(=O)[C@@H](Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12)c1ccccc1 ZINC001234743149 1040270929 /nfs/dbraw/zinc/27/09/29/1040270929.db2.gz ZZWZQSYXAVGFAL-FQEVSTJZSA-N -1 1 392.363 3.651 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)c4cnn(C)c4C)cc3c(=O)c12 ZINC001234798620 1040329087 /nfs/dbraw/zinc/32/90/87/1040329087.db2.gz IPEBQZUMRGTGDX-NSHDSACASA-N -1 1 396.399 3.548 20 5 GHBDMM C[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309348903 1050621542 /nfs/dbraw/zinc/62/15/42/1050621542.db2.gz URFXKCXQQDSDEQ-BMLIUANNSA-N -1 1 398.843 3.989 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3sccc3c2)cc1F ZINC001309555572 1050807771 /nfs/dbraw/zinc/80/77/71/1050807771.db2.gz IJFVWVIORPULMF-UHFFFAOYSA-N -1 1 380.422 3.736 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CC[C@H]3C[C@H]32)c(Cl)cc1Cl ZINC001309863182 1051011226 /nfs/dbraw/zinc/01/12/26/1051011226.db2.gz YSQGXPBMXFEWMK-GUBZILKMSA-N -1 1 379.265 3.616 20 5 GHBDMM CCOc1cc([N-]C(=O)c2coc(C(C)(C)C)n2)c([N+](=O)[O-])cc1OCC ZINC001356202103 1057426730 /nfs/dbraw/zinc/42/67/30/1057426730.db2.gz DGNZQMJVAXUOSY-UHFFFAOYSA-N -1 1 377.397 3.930 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001464036576 1064781795 /nfs/dbraw/zinc/78/17/95/1064781795.db2.gz WQAOJCHGAFFWMJ-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1Cl ZINC001474861306 1074597866 /nfs/dbraw/zinc/59/78/66/1074597866.db2.gz ZJABDHKZPQKCAP-JTQLQIEISA-N -1 1 387.244 3.520 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCC1 ZINC001475066297 1074720185 /nfs/dbraw/zinc/72/01/85/1074720185.db2.gz MTKAZRORWJGUGT-UHFFFAOYSA-N -1 1 380.853 3.692 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(Cl)cc1Cl ZINC001475147882 1074757865 /nfs/dbraw/zinc/75/78/65/1074757865.db2.gz RQYGRLAOFSFYTP-CYBMUJFWSA-N -1 1 379.265 3.903 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2cc(C(F)(F)F)ccc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651763 599244953 /nfs/dbraw/zinc/24/49/53/599244953.db2.gz PEBBMBHUUYJASJ-UHFFFAOYSA-N -1 1 386.677 3.634 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2cc(C(F)(F)F)ccc2Cl)c(-c2nn[n-]n2)c1 ZINC000823651763 599244954 /nfs/dbraw/zinc/24/49/54/599244954.db2.gz PEBBMBHUUYJASJ-UHFFFAOYSA-N -1 1 386.677 3.634 20 5 GHBDMM O=[N+]([O-])c1c(N[C@@H]2CC=CCC2)cc(N[C@@H]2CC=CCC2)cc1-c1nnn[n-]1 ZINC000823629588 599565251 /nfs/dbraw/zinc/56/52/51/599565251.db2.gz ASFLSBJGNHMQGN-ZIAGYGMSSA-N -1 1 381.440 3.816 20 5 GHBDMM O=[N+]([O-])c1c(N[C@@H]2CC=CCC2)cc(N[C@@H]2CC=CCC2)cc1-c1nn[n-]n1 ZINC000823629588 599565252 /nfs/dbraw/zinc/56/52/52/599565252.db2.gz ASFLSBJGNHMQGN-ZIAGYGMSSA-N -1 1 381.440 3.816 20 5 GHBDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000832916041 601369063 /nfs/dbraw/zinc/36/90/63/601369063.db2.gz KJPJQDJDRLKEJX-UONOGXRCSA-N -1 1 385.420 3.588 20 5 GHBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000833420005 605549304 /nfs/dbraw/zinc/54/93/04/605549304.db2.gz NBOCYEHABNIHNJ-LLVKDONJSA-N -1 1 385.258 3.680 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(OC2CCCCC2)cc1 ZINC000823629992 606709225 /nfs/dbraw/zinc/70/92/25/606709225.db2.gz OXGMHDITPYVDHX-UHFFFAOYSA-N -1 1 382.380 3.674 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(OC2CCCCC2)cc1 ZINC000823629992 606709227 /nfs/dbraw/zinc/70/92/27/606709227.db2.gz OXGMHDITPYVDHX-UHFFFAOYSA-N -1 1 382.380 3.674 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000823630321 607161856 /nfs/dbraw/zinc/16/18/56/607161856.db2.gz WZADJNGVVJLLCP-UHFFFAOYSA-N -1 1 387.570 3.922 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000823630321 607161858 /nfs/dbraw/zinc/16/18/58/607161858.db2.gz WZADJNGVVJLLCP-UHFFFAOYSA-N -1 1 387.570 3.922 20 5 GHBDMM C[C@@H](Cc1c(Cl)cccc1Cl)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824450528 607968640 /nfs/dbraw/zinc/96/86/40/607968640.db2.gz XMYIJKRPUJWHOZ-QMMMGPOBSA-N -1 1 394.222 3.520 20 5 GHBDMM C[C@@H](Cc1c(Cl)cccc1Cl)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824450528 607968641 /nfs/dbraw/zinc/96/86/41/607968641.db2.gz XMYIJKRPUJWHOZ-QMMMGPOBSA-N -1 1 394.222 3.520 20 5 GHBDMM CCCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000728591893 834802643 /nfs/dbraw/zinc/80/26/43/834802643.db2.gz OYWAKXRQDUECSE-MRXNPFEDSA-N -1 1 396.440 3.952 20 5 GHBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000725820336 835493708 /nfs/dbraw/zinc/49/37/08/835493708.db2.gz QHIUTVDSACLYHC-KRWDZBQOSA-N -1 1 396.852 3.686 20 5 GHBDMM CCSc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000429972211 844123605 /nfs/dbraw/zinc/12/36/05/844123605.db2.gz YTDRQZGAIINXAC-UHFFFAOYSA-N -1 1 389.256 3.573 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCC(F)(F)C1 ZINC000610785960 844211717 /nfs/dbraw/zinc/21/17/17/844211717.db2.gz JBWOBWAGYNNQGR-CYBMUJFWSA-N -1 1 397.403 3.995 20 5 GHBDMM CSc1ccc(Cl)cc1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066338278 837247243 /nfs/dbraw/zinc/24/72/43/837247243.db2.gz XSTWYLVOVINDMF-UHFFFAOYSA-N -1 1 380.809 3.994 20 5 GHBDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000473434457 844430704 /nfs/dbraw/zinc/43/07/04/844430704.db2.gz NCSUFRLMRQZLHI-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000119188240 839776117 /nfs/dbraw/zinc/77/61/17/839776117.db2.gz HUXNZUWXISDNHT-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000610647598 843354946 /nfs/dbraw/zinc/35/49/46/843354946.db2.gz CKRFEUPCYJRJDO-UHFFFAOYSA-N -1 1 394.449 3.719 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471909833 843421310 /nfs/dbraw/zinc/42/13/10/843421310.db2.gz WXJNQZNTXMWTJS-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)s1 ZINC000512763898 845456436 /nfs/dbraw/zinc/45/64/36/845456436.db2.gz XFZAGYOJDNMOIB-KRWDZBQOSA-N -1 1 392.433 3.863 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135507198 846502397 /nfs/dbraw/zinc/50/23/97/846502397.db2.gz KRUYGQAZSCQYAQ-UHFFFAOYSA-N -1 1 382.348 3.518 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1C ZINC000135505355 846502887 /nfs/dbraw/zinc/50/28/87/846502887.db2.gz QKUQPOSRBJJEHJ-UHFFFAOYSA-N -1 1 396.375 3.826 20 5 GHBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000057498067 862129573 /nfs/dbraw/zinc/12/95/73/862129573.db2.gz ZMUIXENSOWHOEW-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436609730 852109378 /nfs/dbraw/zinc/10/93/78/852109378.db2.gz WVQKZDPPCPQNKK-UHFFFAOYSA-N -1 1 395.400 3.563 20 5 GHBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000517912473 852596300 /nfs/dbraw/zinc/59/63/00/852596300.db2.gz MXGPGSHMWQQKEQ-UHFFFAOYSA-N -1 1 384.841 3.516 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000520768438 856397473 /nfs/dbraw/zinc/39/74/73/856397473.db2.gz FNPZUPSHDYVORF-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000043148034 856495493 /nfs/dbraw/zinc/49/54/93/856495493.db2.gz AUGRAFDPDWEFCA-UHFFFAOYSA-N -1 1 383.404 3.736 20 5 GHBDMM Cc1ccc(-c2nc([N-]C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000173332872 856869675 /nfs/dbraw/zinc/86/96/75/856869675.db2.gz ZTYZBGGLLUVTSK-UHFFFAOYSA-N -1 1 391.309 3.959 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000542927900 856869820 /nfs/dbraw/zinc/86/98/20/856869820.db2.gz LNYNGNMCKTYXAQ-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000542933519 856914942 /nfs/dbraw/zinc/91/49/42/856914942.db2.gz QPEBYGSWLLTQHI-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM COc1ccc([N-]C(=O)c2cc(COc3ccccc3F)on2)c([N+](=O)[O-])c1 ZINC000185013884 858858773 /nfs/dbraw/zinc/85/87/73/858858773.db2.gz PLQNNORQXXCLGE-UHFFFAOYSA-N -1 1 387.323 3.562 20 5 GHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n[nH]1 ZINC000160680689 859114680 /nfs/dbraw/zinc/11/46/80/859114680.db2.gz HCTSUVVBTMVZBN-UHFFFAOYSA-N -1 1 388.405 3.528 20 5 GHBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000543659079 859262793 /nfs/dbraw/zinc/26/27/93/859262793.db2.gz VHXXWKHVROKTHZ-UHFFFAOYSA-N -1 1 391.449 3.751 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000317722244 859613750 /nfs/dbraw/zinc/61/37/50/859613750.db2.gz JVZBSNJHZHZKIG-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000597694777 859736899 /nfs/dbraw/zinc/73/68/99/859736899.db2.gz WYENCLAEJPFIMB-UHFFFAOYSA-N -1 1 376.438 3.867 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000093928969 860376786 /nfs/dbraw/zinc/37/67/86/860376786.db2.gz HNBZRUQYIQUYKK-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM O=c1[n-]c(Oc2cc(Cl)ccc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1 ZINC000301339409 860456611 /nfs/dbraw/zinc/45/66/11/860456611.db2.gz DYRUSLBZNXFAAN-UHFFFAOYSA-N -1 1 383.751 3.875 20 5 GHBDMM Cc1ccc(CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000593738794 861119528 /nfs/dbraw/zinc/11/95/28/861119528.db2.gz YVKSAWDCYHAHTK-HXUWFJFHSA-N -1 1 398.459 3.825 20 5 GHBDMM CCOc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1[O-] ZINC000186016969 864009576 /nfs/dbraw/zinc/00/95/76/864009576.db2.gz KOLGVWRZBUYGDN-UHFFFAOYSA-N -1 1 385.203 3.936 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Oc2ccccc2)s1 ZINC000063309761 864533302 /nfs/dbraw/zinc/53/33/02/864533302.db2.gz HEIZNKIMWULZCB-UHFFFAOYSA-N -1 1 390.442 3.927 20 5 GHBDMM O=C(c1c([O-])cccc1Cl)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743760808 868398711 /nfs/dbraw/zinc/39/87/11/868398711.db2.gz WLRIJPYNQZOOQW-UHFFFAOYSA-N -1 1 376.796 3.637 20 5 GHBDMM COc1cc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)cc(Cl)c1[O-] ZINC000443214895 869828524 /nfs/dbraw/zinc/82/85/24/869828524.db2.gz OUSQDAKUABAOSI-UHFFFAOYSA-N -1 1 375.768 3.912 20 5 GHBDMM COc1ccc([N-]C(=O)c2c(F)ccc(Br)c2F)c([N+](=O)[O-])c1 ZINC000447127675 871076451 /nfs/dbraw/zinc/07/64/51/871076451.db2.gz FQNIVCMMUGHJPF-UHFFFAOYSA-N -1 1 387.136 3.896 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000766862327 871949877 /nfs/dbraw/zinc/94/98/77/871949877.db2.gz QIFKNQHBTAIYFT-QMMMGPOBSA-N -1 1 376.768 3.566 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]23C[C@H]2CCCC3)c1Cl ZINC001194822337 871973714 /nfs/dbraw/zinc/97/37/14/871973714.db2.gz TXACVWXXZHNYSI-OTYXRUKQSA-N -1 1 379.265 3.760 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC000541074598 872858549 /nfs/dbraw/zinc/85/85/49/872858549.db2.gz RBVCZWYHUJMJHR-UHFFFAOYSA-N -1 1 396.424 3.975 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000770813974 874879689 /nfs/dbraw/zinc/87/96/89/874879689.db2.gz OTAGGAZQMPAZHQ-UHFFFAOYSA-N -1 1 386.183 3.888 20 5 GHBDMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000771598216 875338606 /nfs/dbraw/zinc/33/86/06/875338606.db2.gz VHOBQRYJGJKPML-UHFFFAOYSA-N -1 1 394.174 3.645 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537654798 882987388 /nfs/dbraw/zinc/98/73/88/882987388.db2.gz HFOFBQMEJODNIV-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000146540238 876378279 /nfs/dbraw/zinc/37/82/79/876378279.db2.gz FOPJLKGSCGWBLP-LBPRGKRZSA-N -1 1 384.866 3.764 20 5 GHBDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000315356948 877225012 /nfs/dbraw/zinc/22/50/12/877225012.db2.gz BIKVZOBEFLCQKX-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000537752084 878240131 /nfs/dbraw/zinc/24/01/31/878240131.db2.gz MNICPDRHCFMXMR-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC000789923415 879335183 /nfs/dbraw/zinc/33/51/83/879335183.db2.gz WAHVFPBJGRWUBU-UHFFFAOYSA-N -1 1 380.198 3.635 20 5 GHBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000551116927 883307341 /nfs/dbraw/zinc/30/73/41/883307341.db2.gz OAWGABPOCCMCEX-UHFFFAOYSA-N -1 1 391.405 3.540 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000761886713 884924298 /nfs/dbraw/zinc/92/42/98/884924298.db2.gz QRSWXXRAUUXVNG-UHFFFAOYSA-N -1 1 398.824 3.519 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccncc3)s2)cc1Cl ZINC001127330299 885181494 /nfs/dbraw/zinc/18/14/94/885181494.db2.gz AFEOBLRISRSKJD-UHFFFAOYSA-N -1 1 375.797 3.722 20 5 GHBDMM C[C@H](C(=O)[N-]OCc1ccc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000762316974 886006747 /nfs/dbraw/zinc/00/67/47/886006747.db2.gz GNUITVGRCWGNRK-JTQLQIEISA-N -1 1 397.200 3.848 20 5 GHBDMM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1cc(-c2cccc(Cl)c2F)no1 ZINC001132963172 889876772 /nfs/dbraw/zinc/87/67/72/889876772.db2.gz WPPKZVVMSWGJIS-UHFFFAOYSA-N -1 1 392.730 3.698 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC1CC(F)(F)C1 ZINC000428658741 893085335 /nfs/dbraw/zinc/08/53/35/893085335.db2.gz ATHADQHRAQAEMF-UHFFFAOYSA-N -1 1 383.376 3.605 20 5 GHBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000533842850 893226918 /nfs/dbraw/zinc/22/69/18/893226918.db2.gz IOZUPODPUVYOCP-UHFFFAOYSA-N -1 1 387.808 3.855 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000918187585 893327700 /nfs/dbraw/zinc/32/77/00/893327700.db2.gz DHRNZDRWOSTYBX-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2CC)cc1OCC ZINC000564559129 895080089 /nfs/dbraw/zinc/08/00/89/895080089.db2.gz PHKOKSARYWMSOM-UHFFFAOYSA-N -1 1 394.449 3.755 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000577898795 903321825 /nfs/dbraw/zinc/32/18/25/903321825.db2.gz PEHHUPIVGQHGNW-UHFFFAOYSA-N -1 1 375.344 3.574 20 5 GHBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)[nH]n2)o1 ZINC000773279911 904672519 /nfs/dbraw/zinc/67/25/19/904672519.db2.gz QPOUZRHVFPAULZ-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM Cc1cc2cc3ccc(N(C)C)cc3nc2cc1Nc1cnn(CC(=O)[O-])c1 ZINC001176272919 908034692 /nfs/dbraw/zinc/03/46/92/908034692.db2.gz SNKSBNHDHCHWCS-UHFFFAOYSA-N -1 1 375.432 3.787 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3c(c2)CO[C@@H]3c2ccc(F)cc2)no1 ZINC001212892941 911378249 /nfs/dbraw/zinc/37/82/49/911378249.db2.gz DYHKOEXYLJIISE-MRXNPFEDSA-N -1 1 393.334 3.794 20 5 GHBDMM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000284323126 911827708 /nfs/dbraw/zinc/82/77/08/911827708.db2.gz UBAWVACEJUBIRV-CQSZACIVSA-N -1 1 398.337 3.928 20 5 GHBDMM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000005336169 914999906 /nfs/dbraw/zinc/99/99/06/914999906.db2.gz UYKKWRFLAUVBNY-UHFFFAOYSA-N -1 1 396.639 3.938 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc(F)cc3Cl)no2)n[n-]c1C(F)(F)F ZINC001212972181 916162532 /nfs/dbraw/zinc/16/25/32/916162532.db2.gz FQCZJGDIHAKGRG-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000119733024 919649854 /nfs/dbraw/zinc/64/98/54/919649854.db2.gz FBUJONBHFFIPOV-JTQLQIEISA-N -1 1 395.487 3.819 20 5 GHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc2c(cc1SC)OCCO2 ZINC000470890298 931002183 /nfs/dbraw/zinc/00/21/83/931002183.db2.gz IKMHUWVVVJCIQS-UHFFFAOYSA-N -1 1 390.417 3.739 20 5 GHBDMM CN(CC1CCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000558126717 931850589 /nfs/dbraw/zinc/85/05/89/931850589.db2.gz VOXHNMIAKOJYFN-UHFFFAOYSA-N -1 1 375.450 3.632 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC001589459096 954856945 /nfs/dbraw/zinc/85/69/45/954856945.db2.gz VZRZLXDXUZXTMJ-LZWOXQAQSA-N -1 1 394.468 3.571 20 5 GHBDMM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC001597035235 986468395 /nfs/dbraw/zinc/46/83/95/986468395.db2.gz BMSCZIVOOMADFK-MRXNPFEDSA-N -1 1 398.337 3.928 20 5 GHBDMM C[C@](NCc1cccc(Br)c1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303723 994737693 /nfs/dbraw/zinc/73/76/93/994737693.db2.gz DXYZEHFIHNRWSY-MRXNPFEDSA-N -1 1 397.200 3.586 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4ccc(Br)cc34)no2)[n-]1 ZINC000547111800 1016818004 /nfs/dbraw/zinc/81/80/04/1016818004.db2.gz SXUFEINXDVDANA-UHFFFAOYSA-N -1 1 388.181 3.808 20 5 GHBDMM COc1ccc([C@H](C)Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])cn1 ZINC001227306375 1032365018 /nfs/dbraw/zinc/36/50/18/1032365018.db2.gz JKGXPDMBFNJFQL-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H](C)c3cnccn3)c([N+](=O)[O-])c2)cc1 ZINC001227701784 1032523110 /nfs/dbraw/zinc/52/31/10/1032523110.db2.gz JARBSJNABUDXAJ-CYBMUJFWSA-N -1 1 379.372 3.770 20 5 GHBDMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001227715442 1032527213 /nfs/dbraw/zinc/52/72/13/1032527213.db2.gz AZMIKFWVOCZRGK-KPZWWZAWSA-N -1 1 379.372 3.850 20 5 GHBDMM CC(C)Oc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194347435 1020966729 /nfs/dbraw/zinc/96/67/29/1020966729.db2.gz ZTOHOMYEYCTRSC-LBPRGKRZSA-N -1 1 382.413 3.561 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1F ZINC000800844635 1021342325 /nfs/dbraw/zinc/34/23/25/1021342325.db2.gz DVPJNSXCVULHBL-UHFFFAOYSA-N -1 1 394.302 3.584 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1Cl ZINC000836778282 1023359918 /nfs/dbraw/zinc/35/99/18/1023359918.db2.gz VROUWQAKJJTZCX-UHFFFAOYSA-N -1 1 380.735 3.765 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCN(c2ccccc2)CC1 ZINC001228860987 1033145024 /nfs/dbraw/zinc/14/50/24/1033145024.db2.gz ZFLOAOWVTKYROR-UHFFFAOYSA-N -1 1 383.326 3.762 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c1Cl ZINC000831104700 1024357898 /nfs/dbraw/zinc/35/78/98/1024357898.db2.gz CGJNFFHLCOSUBW-JTQLQIEISA-N -1 1 397.280 3.529 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1cc(Cl)ccc1C ZINC001226309899 1031911583 /nfs/dbraw/zinc/91/15/83/1031911583.db2.gz KIICZNDYWFXRPQ-JTQLQIEISA-N -1 1 380.784 3.974 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2C[C@H]3CC[C@@H]([C@H]2F)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001229750267 1033684370 /nfs/dbraw/zinc/68/43/70/1033684370.db2.gz LWKJAUIRHHXUOB-FCLUMBPUSA-N -1 1 396.415 3.866 20 5 GHBDMM Cc1cc([O-])c(OC[C@@H]2Cc3cccc(Br)c3O2)cc1[N+](=O)[O-] ZINC001229751659 1033687437 /nfs/dbraw/zinc/68/74/37/1033687437.db2.gz XQUNIOWKVMTLAN-NSHDSACASA-N -1 1 380.194 3.754 20 5 GHBDMM CCOC(=O)[C@H]1CC[C@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)CC1 ZINC001229805694 1033731239 /nfs/dbraw/zinc/73/12/39/1033731239.db2.gz OIKICCXRQCRJTQ-MQMHXKEQSA-N -1 1 398.411 3.858 20 5 GHBDMM CCOC(=O)[C@H](C)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233497033 1039390787 /nfs/dbraw/zinc/39/07/87/1039390787.db2.gz DLXONGBDOCVOTD-KBUNVGBDSA-N -1 1 395.721 3.633 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742161 1040267673 /nfs/dbraw/zinc/26/76/73/1040267673.db2.gz NAMUMDVFAKRKSG-GXTWGEPZSA-N -1 1 398.411 3.858 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747277 1040272468 /nfs/dbraw/zinc/27/24/68/1040272468.db2.gz KFOCMNWMGKFXRX-DOMZBBRYSA-N -1 1 398.411 3.858 20 5 GHBDMM C[C@H](COc1ccccc1)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749821 1040277028 /nfs/dbraw/zinc/27/70/28/1040277028.db2.gz DSRZGUFUENIDQL-GFCCVEGCSA-N -1 1 394.379 3.909 20 5 GHBDMM CC1(C)CCc2c(c(O)cc3oc4cc([O-])cc(OC[C@H]5CCO5)c4c(=O)c32)O1 ZINC001234799159 1040331090 /nfs/dbraw/zinc/33/10/90/1040331090.db2.gz NJSAZXYIIGQXGT-GFCCVEGCSA-N -1 1 398.411 3.629 20 5 GHBDMM CC(C)Oc1cncc(COc2c([O-])cc(Br)cc2[N+](=O)[O-])c1 ZINC001234875463 1040389145 /nfs/dbraw/zinc/38/91/45/1040389145.db2.gz SDXHMJSQPQTMFR-UHFFFAOYSA-N -1 1 383.198 3.824 20 5 GHBDMM CC(C)Oc1ncccc1COc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875488 1040389534 /nfs/dbraw/zinc/38/95/34/1040389534.db2.gz SKNRNSMDBFAJLJ-UHFFFAOYSA-N -1 1 383.198 3.824 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC001462952482 1070685807 /nfs/dbraw/zinc/68/58/07/1070685807.db2.gz CWNBMGBOGJDDJB-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM CCCCCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC001264232422 1047273241 /nfs/dbraw/zinc/27/32/41/1047273241.db2.gz ZLFWRLWTYGIELL-UHFFFAOYSA-N -1 1 392.437 3.593 20 5 GHBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC001309276557 1050547447 /nfs/dbraw/zinc/54/74/47/1050547447.db2.gz SIKSTZPXNRLLBA-HNNXBMFYSA-N -1 1 390.889 3.512 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1c(F)cccc1Cl ZINC001309281277 1050552079 /nfs/dbraw/zinc/55/20/79/1050552079.db2.gz VOZXXOOBTSNEQT-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM Cc1cccc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCC2)c1 ZINC001309620314 1050869776 /nfs/dbraw/zinc/86/97/76/1050869776.db2.gz YHWSHEINZCJKNT-UHFFFAOYSA-N -1 1 380.853 3.914 20 5 GHBDMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(C)o1 ZINC001329885735 1050917949 /nfs/dbraw/zinc/91/79/49/1050917949.db2.gz STFMLGPYZTUFLF-MRVPVSSYSA-N -1 1 376.793 3.637 20 5 GHBDMM COc1cc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)ccc1F ZINC001200550783 1056301732 /nfs/dbraw/zinc/30/17/32/1056301732.db2.gz FFICWVZAEQCRAI-UHFFFAOYSA-N -1 1 383.404 3.732 20 5 GHBDMM O=C(c1cc(Br)ccc1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001445655040 1059588027 /nfs/dbraw/zinc/58/80/27/1059588027.db2.gz MCBFPPXKXYOWFH-UHFFFAOYSA-N -1 1 391.221 3.868 20 5 GHBDMM CCOC(=O)c1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc([N+](=O)[O-])c1 ZINC001456604078 1062773989 /nfs/dbraw/zinc/77/39/89/1062773989.db2.gz IHWWBXKOBNOZAT-UHFFFAOYSA-N -1 1 382.731 3.522 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C)cc1F ZINC001463413600 1064327563 /nfs/dbraw/zinc/32/75/63/1064327563.db2.gz SEHNFEHNTAYDAO-ZMZPIMSZSA-N -1 1 378.425 3.644 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC001464091371 1064815270 /nfs/dbraw/zinc/81/52/70/1064815270.db2.gz LZMUPMLEKFRRDV-LPEHRKFASA-N -1 1 379.265 3.616 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)c1Cl ZINC001464697568 1065162139 /nfs/dbraw/zinc/16/21/39/1065162139.db2.gz PLUQVNJEZDBQDP-CBLAIPOGSA-N -1 1 397.305 3.607 20 5 GHBDMM O=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC001470984532 1072866595 /nfs/dbraw/zinc/86/65/95/1072866595.db2.gz UBKHPHYGEBGMNL-UHFFFAOYSA-N -1 1 383.311 3.713 20 5 GHBDMM Cc1ccc(CSCC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001474791846 1074565689 /nfs/dbraw/zinc/56/56/89/1074565689.db2.gz NBLOJWHJVDLALM-UHFFFAOYSA-N -1 1 398.481 3.562 20 5 GHBDMM O=[N+]([O-])c1ccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000738368391 598854607 /nfs/dbraw/zinc/85/46/07/598854607.db2.gz CXROVYPNUWDRCM-UHFFFAOYSA-N -1 1 379.405 3.511 20 5 GHBDMM O=C([O-])[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000739499997 600216452 /nfs/dbraw/zinc/21/64/52/600216452.db2.gz NMPUIFPKUPDKMS-CQSZACIVSA-N -1 1 399.628 3.926 20 5 GHBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000833419593 604866437 /nfs/dbraw/zinc/86/64/37/604866437.db2.gz HCTMAJBBENBTMH-LLVKDONJSA-N -1 1 379.438 3.652 20 5 GHBDMM CC(C)CCOc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820077044 606704581 /nfs/dbraw/zinc/70/45/81/606704581.db2.gz YZMYTMZSPFSVPQ-ZDUSSCGKSA-N -1 1 397.439 3.768 20 5 GHBDMM CC(C)CCOc1ccc([C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820077044 606704583 /nfs/dbraw/zinc/70/45/83/606704583.db2.gz YZMYTMZSPFSVPQ-ZDUSSCGKSA-N -1 1 397.439 3.768 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000467066158 837019224 /nfs/dbraw/zinc/01/92/24/837019224.db2.gz UEFOVKYSYPRGPY-VHSXEESVSA-N -1 1 386.417 3.612 20 5 GHBDMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000549219975 839366642 /nfs/dbraw/zinc/36/66/42/839366642.db2.gz SRXBTUMHSXXMCE-UHFFFAOYSA-N -1 1 383.791 3.701 20 5 GHBDMM Cc1ccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cs2)n1C ZINC000121364514 841380007 /nfs/dbraw/zinc/38/00/07/841380007.db2.gz RNUFFQBGXGGLQG-UHFFFAOYSA-N -1 1 378.360 3.896 20 5 GHBDMM C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593784078 861290864 /nfs/dbraw/zinc/29/08/64/861290864.db2.gz HMHIDNZTYDPJDN-SFHVURJKSA-N -1 1 375.812 3.586 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1[N+](=O)[O-] 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GHBDMM CSc1cc2c(cc1[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCO2 ZINC000517658356 852215480 /nfs/dbraw/zinc/21/54/80/852215480.db2.gz ICRRBOSDUOTQHJ-UHFFFAOYSA-N -1 1 380.809 3.994 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436973388 852555785 /nfs/dbraw/zinc/55/57/85/852555785.db2.gz SLANFUHZYSBMEQ-HNNXBMFYSA-N -1 1 386.795 3.807 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1C ZINC000481888017 862465429 /nfs/dbraw/zinc/46/54/29/862465429.db2.gz JEUOAOFZWDLXHK-UHFFFAOYSA-N -1 1 382.825 3.601 20 5 GHBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000588095178 854124010 /nfs/dbraw/zinc/12/40/10/854124010.db2.gz IDUUNXNGKMCWTP-UHFFFAOYSA-N -1 1 385.159 3.646 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000591530273 856093133 /nfs/dbraw/zinc/09/31/33/856093133.db2.gz COQRHZMQBMVVHL-UHFFFAOYSA-N -1 1 382.416 3.652 20 5 GHBDMM Cc1cccc2c(CC[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c[nH]c21 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395.238 3.532 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000734419299 864211349 /nfs/dbraw/zinc/21/13/49/864211349.db2.gz OTOMWEFJUIQMSP-UHFFFAOYSA-N -1 1 389.477 3.940 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)(C)C ZINC000499288316 881914751 /nfs/dbraw/zinc/91/47/51/881914751.db2.gz UVXGHNKMJOZIFY-UHFFFAOYSA-N -1 1 380.422 3.587 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)ccc1[N+](=O)[O-] ZINC000523728403 867857386 /nfs/dbraw/zinc/85/73/86/867857386.db2.gz UYOOSDBSNZNGMK-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)o1 ZINC000191786976 882615085 /nfs/dbraw/zinc/61/50/85/882615085.db2.gz ZANWFRHDUWUHNH-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000768804853 873564790 /nfs/dbraw/zinc/56/47/90/873564790.db2.gz JGQFSMLQTNRHQO-LLVKDONJSA-N -1 1 392.405 3.687 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccs1)Cc1cccs1 ZINC000186788952 874956545 /nfs/dbraw/zinc/95/65/45/874956545.db2.gz OUGDWVCANXRCSD-UHFFFAOYSA-N -1 1 375.431 3.661 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C ZINC000134676056 882983832 /nfs/dbraw/zinc/98/38/32/882983832.db2.gz LMXLIWUKQLRQED-UHFFFAOYSA-N -1 1 387.417 3.921 20 5 GHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1 ZINC000790381830 879651392 /nfs/dbraw/zinc/65/13/92/879651392.db2.gz COXVNPLZPLHJQS-UHFFFAOYSA-N -1 1 393.421 3.846 20 5 GHBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000494082534 879904672 /nfs/dbraw/zinc/90/46/72/879904672.db2.gz FDSSCDYGTYDUKH-UHFFFAOYSA-N -1 1 385.401 3.724 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1C ZINC000031776607 879993668 /nfs/dbraw/zinc/99/36/68/879993668.db2.gz MXCOVMKJUWDEFY-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM CSc1ccc(Cl)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 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XIMVSWPTPNSWLV-UHFFFAOYSA-N -1 1 392.330 3.948 20 5 GHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1SC ZINC000800147026 898663261 /nfs/dbraw/zinc/66/32/61/898663261.db2.gz MBLBJNDNMPUODV-UHFFFAOYSA-N -1 1 395.368 3.933 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc([N+](=O)[O-])c4[O-])C3)[nH]c2c1 ZINC000128673691 902702223 /nfs/dbraw/zinc/70/22/23/902702223.db2.gz JLWOBBCQQPBMIW-ZDUSSCGKSA-N -1 1 380.404 3.505 20 5 GHBDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC001171430772 904596516 /nfs/dbraw/zinc/59/65/16/904596516.db2.gz SULNPCKTYVKFKD-DZGCQCFKSA-N -1 1 386.408 3.556 20 5 GHBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1NC(=O)OC(C)(C)C ZINC000299046336 921152918 /nfs/dbraw/zinc/15/29/18/921152918.db2.gz LCKBOARLTMSQLA-UHFFFAOYSA-N -1 1 376.369 3.531 20 5 GHBDMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000267903812 909688339 /nfs/dbraw/zinc/68/83/39/909688339.db2.gz BBBSSOQHIQPXDN-LBPRGKRZSA-N -1 1 391.449 3.666 20 5 GHBDMM COc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001187882302 915603983 /nfs/dbraw/zinc/60/39/83/915603983.db2.gz AFOATWKDAXJWFJ-HNNXBMFYSA-N -1 1 396.440 3.808 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)sc1C ZINC000775200751 916216740 /nfs/dbraw/zinc/21/67/40/916216740.db2.gz FBKCGHYUIOXOOW-UHFFFAOYSA-N -1 1 391.268 3.836 20 5 GHBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)cc1 ZINC000725819439 926457532 /nfs/dbraw/zinc/45/75/32/926457532.db2.gz NIHRELOCUNVDNE-KRWDZBQOSA-N -1 1 398.868 3.932 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000469891504 930238671 /nfs/dbraw/zinc/23/86/71/930238671.db2.gz VLIGAFMMPGXJRD-UHFFFAOYSA-N -1 1 388.380 3.822 20 5 GHBDMM CCOc1ccc(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000547049843 930647516 /nfs/dbraw/zinc/64/75/16/930647516.db2.gz SSZSXNGYBNPJJY-UHFFFAOYSA-N -1 1 379.170 3.801 20 5 GHBDMM CC[C@](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305240 980443788 /nfs/dbraw/zinc/44/37/88/980443788.db2.gz FNNZEHKYPJXNLS-GOSISDBHSA-N -1 1 388.811 3.604 20 5 GHBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC001599572122 998382365 /nfs/dbraw/zinc/38/23/65/998382365.db2.gz TWCAZYWHLZQWEE-OAHLLOKOSA-N -1 1 385.203 3.826 20 5 GHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1 ZINC000778447312 1019116786 /nfs/dbraw/zinc/11/67/86/1019116786.db2.gz PEJFDOMARGSYAJ-UHFFFAOYSA-N -1 1 394.225 3.690 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2ncc(Br)cc2OC(F)F)ccc1[O-] ZINC001210393459 1027486338 /nfs/dbraw/zinc/48/63/38/1027486338.db2.gz BBLHUSZAWJFZLR-UHFFFAOYSA-N -1 1 376.113 3.803 20 5 GHBDMM Cc1c([N-]c2nc3cccc(C(F)(F)F)n3n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291993 1027894137 /nfs/dbraw/zinc/89/41/37/1027894137.db2.gz PERWQDCFNBHTIM-UHFFFAOYSA-N -1 1 382.258 3.617 20 5 GHBDMM Cc1scc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1C ZINC001213345878 1028125527 /nfs/dbraw/zinc/12/55/27/1028125527.db2.gz OYFFTYVBBDUAGE-UHFFFAOYSA-N -1 1 378.834 3.544 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1F ZINC001213413039 1028174578 /nfs/dbraw/zinc/17/45/78/1028174578.db2.gz YFSCBAPVLUPJMX-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c1Cl ZINC000841527409 1028713045 /nfs/dbraw/zinc/71/30/45/1028713045.db2.gz GGBGQBPMPDXFIQ-UHFFFAOYSA-N -1 1 389.207 3.615 20 5 GHBDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001153758379 1031731324 /nfs/dbraw/zinc/73/13/24/1031731324.db2.gz VUOSZXQBEROFTL-UHFFFAOYSA-N -1 1 392.293 3.962 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCc2cc(Cl)ccc21 ZINC001226309025 1031910573 /nfs/dbraw/zinc/91/05/73/1031910573.db2.gz CIQMPOYUUHNFNP-ZDUSSCGKSA-N -1 1 378.768 3.592 20 5 GHBDMM C[C@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2)c1cccc([N+](=O)[O-])c1 ZINC001226623561 1032050973 /nfs/dbraw/zinc/05/09/73/1032050973.db2.gz OSDYEBAFTRXIAN-AWEZNQCLSA-N -1 1 392.415 3.746 20 5 GHBDMM CC(C)(Oc1cc([N+](=O)[O-])ccc1[O-])[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001229396778 1033456720 /nfs/dbraw/zinc/45/67/20/1033456720.db2.gz YSWGEBUXYIIJNS-GOSISDBHSA-N -1 1 383.356 3.568 20 5 GHBDMM CCOC(=O)N1CCC[C@@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229516377 1033533837 /nfs/dbraw/zinc/53/38/37/1033533837.db2.gz JMHHFTLODBHWQY-OAHLLOKOSA-N -1 1 383.400 3.652 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229806507 1033730961 /nfs/dbraw/zinc/73/09/61/1033730961.db2.gz VCPILHAIAZIJFB-JSGCOSHPSA-N -1 1 398.411 3.858 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229806509 1033731185 /nfs/dbraw/zinc/73/11/85/1033731185.db2.gz VCPILHAIAZIJFB-TZMCWYRMSA-N -1 1 398.411 3.858 20 5 GHBDMM C[C@@H](C(=O)Nc1cccc([O-])c1Br)c1ccc([N+](=O)[O-])cc1F ZINC001158825773 1034289972 /nfs/dbraw/zinc/28/99/72/1034289972.db2.gz VHPKJJFDTJQTSI-MRVPVSSYSA-N -1 1 383.173 3.944 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231230914 1034473862 /nfs/dbraw/zinc/47/38/62/1034473862.db2.gz QYRQMVKILFNEBS-ZDUSSCGKSA-N -1 1 381.388 3.504 20 5 GHBDMM C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1cccnc1F ZINC001234125451 1039869579 /nfs/dbraw/zinc/86/95/79/1039869579.db2.gz REPSEIMKFZUQBZ-SECBINFHSA-N -1 1 383.331 3.737 20 5 GHBDMM CCC[C@H](CC(=O)OCC)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744378 1040270717 /nfs/dbraw/zinc/27/07/17/1040270717.db2.gz LOBDSSOIXMSSKY-CQSZACIVSA-N -1 1 386.400 3.858 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@@H]3CC[C@]4(CCCCO4)O3)c12 ZINC001234748536 1040273952 /nfs/dbraw/zinc/27/39/52/1040273952.db2.gz SIYADOPEEHEENC-NYHFZMIOSA-N -1 1 398.411 3.812 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC001462683023 1070467881 /nfs/dbraw/zinc/46/78/81/1070467881.db2.gz BKFHBVRYIQTWNM-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)c2O1 ZINC001256631468 1043583319 /nfs/dbraw/zinc/58/33/19/1043583319.db2.gz PDYLCACULQZKHN-UHFFFAOYSA-N -1 1 382.825 3.763 20 5 GHBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC001265807975 1047677014 /nfs/dbraw/zinc/67/70/14/1047677014.db2.gz SEBNTLOJSIBGJL-UHFFFAOYSA-N -1 1 389.774 3.588 20 5 GHBDMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(C)o1 ZINC001329885737 1050917778 /nfs/dbraw/zinc/91/77/78/1050917778.db2.gz STFMLGPYZTUFLF-QMMMGPOBSA-N -1 1 376.793 3.637 20 5 GHBDMM CC(C)(C(=O)Nc1ccc(Br)c([O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001325194556 1057287258 /nfs/dbraw/zinc/28/72/58/1057287258.db2.gz RYUPSPQWNQDDBZ-UHFFFAOYSA-N -1 1 379.210 3.979 20 5 GHBDMM CC(C)Sc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001435552834 1062728427 /nfs/dbraw/zinc/72/84/27/1062728427.db2.gz ZFTTZISLAGUVSB-UHFFFAOYSA-N -1 1 394.474 3.751 20 5 GHBDMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001438633785 1064088757 /nfs/dbraw/zinc/08/87/57/1064088757.db2.gz WQEHVJIRTJVMIJ-UHFFFAOYSA-N -1 1 386.257 3.565 20 5 GHBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H]1C ZINC001463622667 1064506758 /nfs/dbraw/zinc/50/67/58/1064506758.db2.gz HQHHXOLHYSQVEJ-MXWKQRLJSA-N -1 1 378.853 3.738 20 5 GHBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001460676917 1069079517 /nfs/dbraw/zinc/07/95/17/1069079517.db2.gz UUVVGFVQODUPEY-UHFFFAOYSA-N -1 1 394.778 3.605 20 5 GHBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC001472531226 1073533320 /nfs/dbraw/zinc/53/33/20/1073533320.db2.gz LKXMBVVAGWDMQY-ZJUUUORDSA-N -1 1 383.326 3.636 20 5 GHBDMM CC(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC001475208615 1074786856 /nfs/dbraw/zinc/78/68/56/1074786856.db2.gz IOOQZTUDSGKPNJ-UHFFFAOYSA-N -1 1 386.832 3.989 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc21 ZINC001475346225 1074842011 /nfs/dbraw/zinc/84/20/11/1074842011.db2.gz DOVTVWQSPIYBME-CYBMUJFWSA-N -1 1 380.853 3.647 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(OCc3ccccc3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651981 599341553 /nfs/dbraw/zinc/34/15/53/599341553.db2.gz UPWZDKSDJHOYHV-UHFFFAOYSA-N -1 1 390.359 3.541 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(OCc3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651981 599341554 /nfs/dbraw/zinc/34/15/54/599341554.db2.gz UPWZDKSDJHOYHV-UHFFFAOYSA-N -1 1 390.359 3.541 20 5 GHBDMM O=[N+]([O-])c1c(N[C@H]2CC=CCC2)cc(N[C@@H]2CC=CCC2)cc1-c1nnn[n-]1 ZINC000823629586 599564964 /nfs/dbraw/zinc/56/49/64/599564964.db2.gz ASFLSBJGNHMQGN-KGLIPLIRSA-N -1 1 381.440 3.816 20 5 GHBDMM O=[N+]([O-])c1c(N[C@H]2CC=CCC2)cc(N[C@@H]2CC=CCC2)cc1-c1nn[n-]n1 ZINC000823629586 599564966 /nfs/dbraw/zinc/56/49/66/599564966.db2.gz ASFLSBJGNHMQGN-KGLIPLIRSA-N -1 1 381.440 3.816 20 5 GHBDMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000826260224 608350141 /nfs/dbraw/zinc/35/01/41/608350141.db2.gz BTWBDHYKFQXFSF-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000826260224 608350143 /nfs/dbraw/zinc/35/01/43/608350143.db2.gz BTWBDHYKFQXFSF-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725840945 836015870 /nfs/dbraw/zinc/01/58/70/836015870.db2.gz UFDXWQMEAYKRBK-CQSZACIVSA-N -1 1 396.852 3.613 20 5 GHBDMM CC(C)Cc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)cc1 ZINC000610262486 836921591 /nfs/dbraw/zinc/92/15/91/836921591.db2.gz PBEATPTXXLXFRX-SFHVURJKSA-N -1 1 389.477 3.618 20 5 GHBDMM CSCc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000511393601 836939891 /nfs/dbraw/zinc/93/98/91/836939891.db2.gz GJAFCJHGERXASV-UHFFFAOYSA-N -1 1 386.882 3.590 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001125345075 837039051 /nfs/dbraw/zinc/03/90/51/837039051.db2.gz HOMHJYVTOGNDDS-UHFFFAOYSA-N -1 1 378.175 3.939 20 5 GHBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000188139564 838548425 /nfs/dbraw/zinc/54/84/25/838548425.db2.gz NKQZRFHBLYUGET-SECBINFHSA-N -1 1 385.405 3.871 20 5 GHBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000275737506 838609909 /nfs/dbraw/zinc/60/99/09/838609909.db2.gz BMLYSIYKBCSJBX-UHFFFAOYSA-N -1 1 380.735 3.765 20 5 GHBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000583817187 839780644 /nfs/dbraw/zinc/78/06/44/839780644.db2.gz BAQPNNXCEBQOSO-JLTOFOAXSA-N -1 1 394.468 3.715 20 5 GHBDMM Cc1ccc(-c2cc(=NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000541954452 842003075 /nfs/dbraw/zinc/00/30/75/842003075.db2.gz IYPOETXWRNJHNQ-UHFFFAOYSA-N -1 1 394.359 3.630 20 5 GHBDMM CC(C)c1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000049612417 842520790 /nfs/dbraw/zinc/52/07/90/842520790.db2.gz UBYAPONHJOZNGB-UHFFFAOYSA-N -1 1 390.343 3.763 20 5 GHBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000121581769 843132813 /nfs/dbraw/zinc/13/28/13/843132813.db2.gz FZMCVXMGMGDREP-UHFFFAOYSA-N -1 1 398.238 3.822 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000067116705 844703729 /nfs/dbraw/zinc/70/37/29/844703729.db2.gz QNRRPPFGYFCIJT-UHFFFAOYSA-N -1 1 391.449 3.553 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000610887275 844755449 /nfs/dbraw/zinc/75/54/49/844755449.db2.gz GDLFITNREQQUPV-UHFFFAOYSA-N -1 1 393.399 3.517 20 5 GHBDMM COc1ccc(COCc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)cc1 ZINC000502443854 847888941 /nfs/dbraw/zinc/88/89/41/847888941.db2.gz YAUXVHXNDSFWQN-UHFFFAOYSA-N -1 1 381.388 3.901 20 5 GHBDMM CCc1nc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]c(=O)c1C ZINC000514677213 850127793 /nfs/dbraw/zinc/12/77/93/850127793.db2.gz FFQUMHDNJNOITJ-SNVBAGLBSA-N -1 1 387.421 3.865 20 5 GHBDMM CCc1ccc(CC)c([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488260363 851319996 /nfs/dbraw/zinc/31/99/96/851319996.db2.gz FWSNGTRTGYIWTK-UHFFFAOYSA-N -1 1 382.413 3.668 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1[N+](=O)[O-] ZINC000515838821 851546621 /nfs/dbraw/zinc/54/66/21/851546621.db2.gz SRWWHTYRWWNYMP-UHFFFAOYSA-N -1 1 391.430 3.528 20 5 GHBDMM Cc1ccc(OCCCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000516341566 852442074 /nfs/dbraw/zinc/44/20/74/852442074.db2.gz IHAKKKRPYRXOKV-UHFFFAOYSA-N -1 1 398.868 3.694 20 5 GHBDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000438710320 852758758 /nfs/dbraw/zinc/75/87/58/852758758.db2.gz AHYFZFUFJSOBNO-LBPRGKRZSA-N -1 1 392.433 3.696 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000516782917 852994977 /nfs/dbraw/zinc/99/49/77/852994977.db2.gz AOLYJMYWMCAKPG-CQSZACIVSA-N -1 1 384.841 3.686 20 5 GHBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000732817531 862517177 /nfs/dbraw/zinc/51/71/77/862517177.db2.gz WGGKMDCYDPFJTP-KRWDZBQOSA-N -1 1 380.853 3.986 20 5 GHBDMM COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593878689 862733138 /nfs/dbraw/zinc/73/31/38/862733138.db2.gz FTAXWYRCYMBHGJ-ZDUSSCGKSA-N -1 1 391.811 3.507 20 5 GHBDMM CC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000591590292 856169826 /nfs/dbraw/zinc/16/98/26/856169826.db2.gz QMPRLQAAMVJFLT-GFCCVEGCSA-N -1 1 391.449 3.689 20 5 GHBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173370524 856890653 /nfs/dbraw/zinc/89/06/53/856890653.db2.gz SUAUYBPRUSRTBK-AWEZNQCLSA-N -1 1 389.886 3.617 20 5 GHBDMM O=C(c1ccc(Br)c([O-])c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000159738274 862963656 /nfs/dbraw/zinc/96/36/56/862963656.db2.gz MWTURSNXJKGPJI-UHFFFAOYSA-N -1 1 391.221 3.868 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000594733684 858268087 /nfs/dbraw/zinc/26/80/87/858268087.db2.gz BMHLKHGBMHDBBT-OKZBNKHCSA-N -1 1 376.453 3.847 20 5 GHBDMM C[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611494356 859779652 /nfs/dbraw/zinc/77/96/52/859779652.db2.gz OFYSVOLHDMNYTM-BBRMVZONSA-N -1 1 393.440 3.580 20 5 GHBDMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000479136732 867205922 /nfs/dbraw/zinc/20/59/22/867205922.db2.gz WBRWJGSHEBSGRX-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1Cl ZINC000143580089 867284806 /nfs/dbraw/zinc/28/48/06/867284806.db2.gz NMWXLGAQNKHFKM-QGZVFWFLSA-N -1 1 391.855 3.767 20 5 GHBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000444960016 867561536 /nfs/dbraw/zinc/56/15/36/867561536.db2.gz PFOFFYXAWGJMRV-CQSZACIVSA-N -1 1 383.326 3.841 20 5 GHBDMM O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445448233 868428371 /nfs/dbraw/zinc/42/83/71/868428371.db2.gz KLCUPKKILFBTCW-UHFFFAOYSA-N -1 1 383.751 3.857 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC001195661361 872567610 /nfs/dbraw/zinc/56/76/10/872567610.db2.gz OKVKPSCBPXJBTB-CQSZACIVSA-N -1 1 384.816 3.743 20 5 GHBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619468328 872663168 /nfs/dbraw/zinc/66/31/68/872663168.db2.gz UHFWZPIKQUXIAL-UHFFFAOYSA-N -1 1 398.824 3.650 20 5 GHBDMM CCC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000768849804 873591069 /nfs/dbraw/zinc/59/10/69/873591069.db2.gz PVYRAQVYFWRUGD-ZDUSSCGKSA-N -1 1 376.406 3.754 20 5 GHBDMM CCC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000768849802 873591444 /nfs/dbraw/zinc/59/14/44/873591444.db2.gz PVYRAQVYFWRUGD-CYBMUJFWSA-N -1 1 376.406 3.754 20 5 GHBDMM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045763 873758776 /nfs/dbraw/zinc/75/87/76/873758776.db2.gz DUQCFFBWDCBCFT-OLZOCXBDSA-N -1 1 386.404 3.998 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000770418042 874658144 /nfs/dbraw/zinc/65/81/44/874658144.db2.gz BVAXWIOBHFBWCA-ZDUSSCGKSA-N -1 1 381.310 3.692 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000771734149 875422365 /nfs/dbraw/zinc/42/23/65/875422365.db2.gz NFOMAEFQXYWVDE-AWEZNQCLSA-N -1 1 392.330 3.624 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1C(F)(F)F ZINC000789071278 878584287 /nfs/dbraw/zinc/58/42/87/878584287.db2.gz LQSFVPINFMBQJX-VIFPVBQESA-N -1 1 383.278 3.747 20 5 GHBDMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1Cl ZINC000538297869 879204017 /nfs/dbraw/zinc/20/40/17/879204017.db2.gz FBEIRUWCPBQVHH-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790646444 879913355 /nfs/dbraw/zinc/91/33/55/879913355.db2.gz KILZPOPRZLNFDU-UHFFFAOYSA-N -1 1 393.739 3.570 20 5 GHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000191177568 884528265 /nfs/dbraw/zinc/52/82/65/884528265.db2.gz LJDZEFWXVIXPNM-UHFFFAOYSA-N -1 1 389.216 3.905 20 5 GHBDMM O=[N+]([O-])c1c(Br)ccnc1[N-][C@H](c1ccccn1)C(F)(F)F ZINC001168484863 885165484 /nfs/dbraw/zinc/16/54/84/885165484.db2.gz DUYFTSZXQHPEAW-SNVBAGLBSA-N -1 1 377.120 3.863 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)cccc1[N+](=O)[O-] ZINC000762595425 886490141 /nfs/dbraw/zinc/49/01/41/886490141.db2.gz SHDSLBPNMIHOJV-UHFFFAOYSA-N -1 1 383.838 3.967 20 5 GHBDMM C=Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC001211943263 887548427 /nfs/dbraw/zinc/54/84/27/887548427.db2.gz DSEJGHAVFAWWSQ-UHFFFAOYSA-N -1 1 384.816 3.551 20 5 GHBDMM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809816290 887827730 /nfs/dbraw/zinc/82/77/30/887827730.db2.gz GXIOOQMDWAHDBQ-SSDOTTSWSA-N -1 1 394.236 3.546 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000918150842 893275007 /nfs/dbraw/zinc/27/50/07/893275007.db2.gz GIHZWUYMSWUSNG-UHFFFAOYSA-N -1 1 389.477 3.940 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@H]1CC1(Cl)Cl ZINC000846020920 902602941 /nfs/dbraw/zinc/60/29/41/902602941.db2.gz BRQUFLUNNMAMDC-QMMMGPOBSA-N -1 1 387.672 3.501 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000600661943 902793649 /nfs/dbraw/zinc/79/36/49/902793649.db2.gz CTDRYRHROGCPOO-UHFFFAOYSA-N -1 1 376.434 3.598 20 5 GHBDMM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186989499 908016262 /nfs/dbraw/zinc/01/62/62/908016262.db2.gz NECNVCNKZXUJBI-UHFFFAOYSA-N -1 1 380.404 3.505 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(C(F)(F)F)cc(Cl)c2F)no1 ZINC001212892934 911379209 /nfs/dbraw/zinc/37/92/09/911379209.db2.gz DLCNMNCYKXWYHO-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM O=C(Nc1ccccc1)c1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780077372 921775737 /nfs/dbraw/zinc/77/57/37/921775737.db2.gz XUPRXSQPFCYVQQ-UHFFFAOYSA-N -1 1 392.367 3.910 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc4cccnc43)no2)n[n-]c1C(F)(F)F ZINC001212972595 916160517 /nfs/dbraw/zinc/16/05/17/916160517.db2.gz FWBYNZZSTVVJPM-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM CCCOc1ccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)cc1 ZINC001212972967 916164014 /nfs/dbraw/zinc/16/40/14/916164014.db2.gz OMDPUECNRHMROR-UHFFFAOYSA-N -1 1 383.286 3.843 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc(OC4CC4)c3)no2)n[n-]c1C(F)(F)F ZINC001212973337 916169645 /nfs/dbraw/zinc/16/96/45/916169645.db2.gz XECGNHASPRKYDH-UHFFFAOYSA-N -1 1 381.270 3.595 20 5 GHBDMM Cc1ccc(SCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725819374 926457444 /nfs/dbraw/zinc/45/74/44/926457444.db2.gz SIGYZFQFVUOHFV-UHFFFAOYSA-N -1 1 386.882 3.627 20 5 GHBDMM Cc1cc(S(=O)(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000751546037 928241857 /nfs/dbraw/zinc/24/18/57/928241857.db2.gz ILXOCGUOILJANK-UHFFFAOYSA-N -1 1 386.385 3.555 20 5 GHBDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753080291 929194812 /nfs/dbraw/zinc/19/48/12/929194812.db2.gz FTVXTKMQVBCHFV-UHFFFAOYSA-N -1 1 398.824 3.618 20 5 GHBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Br)c1 ZINC000782263279 931146273 /nfs/dbraw/zinc/14/62/73/931146273.db2.gz IDQKMBBHJYPJCF-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)cc1C ZINC000782264478 931147612 /nfs/dbraw/zinc/14/76/12/931147612.db2.gz INVGFRAUADZXIC-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CCC[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001595600907 981584176 /nfs/dbraw/zinc/58/41/76/981584176.db2.gz PMAMGESTUYMPNV-INIZCTEOSA-N -1 1 394.374 3.967 20 5 GHBDMM COc1ccc([C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1Cl ZINC001599532099 997674361 /nfs/dbraw/zinc/67/43/61/997674361.db2.gz NRHMPCOIYQNMAP-HNNXBMFYSA-N -1 1 385.203 3.826 20 5 GHBDMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001227715444 1032526862 /nfs/dbraw/zinc/52/68/62/1032526862.db2.gz AZMIKFWVOCZRGK-SGTLLEGYSA-N -1 1 379.372 3.850 20 5 GHBDMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)c3cc4c(cc3[N+](=O)[O-])OCO4)c12 ZINC001226491152 1031981140 /nfs/dbraw/zinc/98/11/40/1031981140.db2.gz VRAZNCIMHHJFOM-JTQLQIEISA-N -1 1 385.328 3.584 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CCCN(Cc3cnc(Cl)s3)C2)cc1[N+](=O)[O-] ZINC001229755159 1033690136 /nfs/dbraw/zinc/69/01/36/1033690136.db2.gz WVALEELTXCXVCQ-NSHDSACASA-N -1 1 383.857 3.762 20 5 GHBDMM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC001208430747 1034893332 /nfs/dbraw/zinc/89/33/32/1034893332.db2.gz AYXMQSLVXZJXCG-WCBMZHEXSA-N -1 1 388.804 3.582 20 5 GHBDMM COC(=O)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1ccccc1F ZINC001233497898 1039391475 /nfs/dbraw/zinc/39/14/75/1039391475.db2.gz JDCZRAJZWHSEJW-CQSZACIVSA-N -1 1 379.731 3.557 20 5 GHBDMM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ccccc1F ZINC001233497898 1039391484 /nfs/dbraw/zinc/39/14/84/1039391484.db2.gz JDCZRAJZWHSEJW-CQSZACIVSA-N -1 1 379.731 3.557 20 5 GHBDMM C[C@@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233497845 1039392132 /nfs/dbraw/zinc/39/21/32/1039392132.db2.gz IOGVDQCPLNASAV-NXEZZACHSA-N -1 1 396.831 3.901 20 5 GHBDMM CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(O[C@@H](C)C(C)=O)c1[O-] ZINC001234333399 1039971420 /nfs/dbraw/zinc/97/14/20/1039971420.db2.gz ZSAKZTIYCOQQEF-LBPRGKRZSA-N -1 1 398.411 3.928 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC3CN(Cc4ccccc4)C3)c12 ZINC001234745631 1040271144 /nfs/dbraw/zinc/27/11/44/1040271144.db2.gz VUECTOUZIJUDMV-UHFFFAOYSA-N -1 1 389.407 3.621 20 5 GHBDMM COC(=O)CC1CCC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)CC1 ZINC001234749027 1040274026 /nfs/dbraw/zinc/27/40/26/1040274026.db2.gz VWJMJVZDRWQZRD-UHFFFAOYSA-N -1 1 398.411 3.858 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)c4ccccn4)cc([O-])cc3oc21 ZINC001234749621 1040277669 /nfs/dbraw/zinc/27/76/69/1040277669.db2.gz RMJQDIMLYGVOKY-LLVKDONJSA-N -1 1 379.368 3.901 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)c4ccccn4)cc([O-])cc3oc21 ZINC001234749622 1040278406 /nfs/dbraw/zinc/27/84/06/1040278406.db2.gz RMJQDIMLYGVOKY-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM O=S(=O)([N-]c1ccc2nc3ccccc3cc2c1)c1ccc2c(c1)OCCO2 ZINC001259345238 1045093255 /nfs/dbraw/zinc/09/32/55/1045093255.db2.gz ZFFPOTPDCRUYQG-UHFFFAOYSA-N -1 1 392.436 3.960 20 5 GHBDMM CC[C@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)s1)c1ccccc1 ZINC001264488972 1047359558 /nfs/dbraw/zinc/35/95/58/1047359558.db2.gz LJOGOFWMONVFOB-AWEZNQCLSA-N -1 1 383.433 3.944 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CC1CCCCC1)c1ccccc1 ZINC001309136431 1050392691 /nfs/dbraw/zinc/39/26/91/1050392691.db2.gz XEXUFTRBHMBQFA-QGZVFWFLSA-N -1 1 389.477 3.980 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001309452427 1050729382 /nfs/dbraw/zinc/72/93/82/1050729382.db2.gz LWZBVKWGXNSOHU-QWHCGFSZSA-N -1 1 387.244 3.736 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C2CC2)cc1F ZINC001309530710 1050787526 /nfs/dbraw/zinc/78/75/26/1050787526.db2.gz IQNCBUWBAHJYBT-OAHLLOKOSA-N -1 1 378.425 3.514 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccc(C(F)F)c2)cc1Cl ZINC001324107900 1057071503 /nfs/dbraw/zinc/07/15/03/1057071503.db2.gz UQPNPOAHVQHQCM-UHFFFAOYSA-N -1 1 394.758 3.803 20 5 GHBDMM CCCOc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001463369332 1064288996 /nfs/dbraw/zinc/28/89/96/1064288996.db2.gz CEKOREPOGRFYTQ-UHFFFAOYSA-N -1 1 398.868 3.558 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C(F)F)cs1 ZINC001464352018 1064966852 /nfs/dbraw/zinc/96/68/52/1064966852.db2.gz FHDQEWCZNHBEPT-LLVKDONJSA-N -1 1 382.797 3.594 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)s2)cc1F ZINC001475649530 1074992961 /nfs/dbraw/zinc/99/29/61/1074992961.db2.gz IOQWFLZLORWBTM-UHFFFAOYSA-N -1 1 386.470 3.880 20 5 GHBDMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000832341117 601973242 /nfs/dbraw/zinc/97/32/42/601973242.db2.gz JBPVZRKRFKTELO-HNNXBMFYSA-N -1 1 385.203 3.826 20 5 GHBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000826499545 608051700 /nfs/dbraw/zinc/05/17/00/608051700.db2.gz MSKQLVMXLZAULF-UHFFFAOYSA-N -1 1 378.323 3.768 20 5 GHBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000826499545 608051701 /nfs/dbraw/zinc/05/17/01/608051701.db2.gz MSKQLVMXLZAULF-UHFFFAOYSA-N -1 1 378.323 3.768 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1-c1ccccc1 ZINC000536189673 835404525 /nfs/dbraw/zinc/40/45/25/835404525.db2.gz BHBWCOVZWGEDBV-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1[N+](=O)[O-] ZINC000389198079 838140147 /nfs/dbraw/zinc/14/01/47/838140147.db2.gz XYNIYQCIXWSDTA-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000024577630 838265298 /nfs/dbraw/zinc/26/52/98/838265298.db2.gz MTYBKHKBNUXVEP-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1 ZINC000103420641 838404421 /nfs/dbraw/zinc/40/44/21/838404421.db2.gz HOIQZZZVCYTAAZ-UHFFFAOYSA-N -1 1 376.438 3.830 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000188150535 838557074 /nfs/dbraw/zinc/55/70/74/838557074.db2.gz AUGVYSUOKJUCMX-UHFFFAOYSA-N -1 1 381.310 3.519 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000610262976 841223422 /nfs/dbraw/zinc/22/34/22/841223422.db2.gz RVZOORRVSYIIQR-MRXNPFEDSA-N -1 1 395.868 3.853 20 5 GHBDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)ccc2C)n1 ZINC000150803682 843014723 /nfs/dbraw/zinc/01/47/23/843014723.db2.gz KVEJBXYJDWNQRV-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471940705 843746484 /nfs/dbraw/zinc/74/64/84/843746484.db2.gz CVZYHJDPYISGLW-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cc1[N+](=O)[O-] ZINC000432968391 844767322 /nfs/dbraw/zinc/76/73/22/844767322.db2.gz YBWDWWBAKCAAPO-LBPRGKRZSA-N -1 1 398.359 3.528 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(Cl)c1 ZINC000434965220 849951904 /nfs/dbraw/zinc/95/19/04/849951904.db2.gz SNCCNCPNWBCPQL-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c(OC(C)C)c1 ZINC000546179483 851305348 /nfs/dbraw/zinc/30/53/48/851305348.db2.gz QIWDTUZVEYMTPH-UHFFFAOYSA-N -1 1 394.449 3.754 20 5 GHBDMM C[C@H](OCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000517915322 852600518 /nfs/dbraw/zinc/60/05/18/852600518.db2.gz ZCWJRJKXMDPPRW-ZDUSSCGKSA-N -1 1 398.868 3.694 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000438715387 852763167 /nfs/dbraw/zinc/76/31/67/852763167.db2.gz KDZWVCXNJHWJOZ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM C[C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000517091249 853352169 /nfs/dbraw/zinc/35/21/69/853352169.db2.gz TYDVGXKFPLDNNW-CJNGLKHVSA-N -1 1 375.450 3.996 20 5 GHBDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591327969 855890850 /nfs/dbraw/zinc/89/08/50/855890850.db2.gz FWPMMCGAHMHFLD-UHFFFAOYSA-N -1 1 394.293 3.623 20 5 GHBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(-c2ccco2)s1 ZINC000171433841 856138350 /nfs/dbraw/zinc/13/83/50/856138350.db2.gz AFGSKUIFCYGAJO-UHFFFAOYSA-N -1 1 387.373 3.725 20 5 GHBDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2O1 ZINC000442836245 858173394 /nfs/dbraw/zinc/17/33/94/858173394.db2.gz NRFWWKMIBDYEFD-KRWDZBQOSA-N -1 1 378.406 3.601 20 5 GHBDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)c2)o1 ZINC000132325328 858218228 /nfs/dbraw/zinc/21/82/28/858218228.db2.gz HIQBUUNUCSWZQS-UHFFFAOYSA-N -1 1 391.380 3.807 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000522357907 859175742 /nfs/dbraw/zinc/17/57/42/859175742.db2.gz NJOLQBBUBVXUMW-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484263787 859915332 /nfs/dbraw/zinc/91/53/32/859915332.db2.gz TXNFZKCOMMBITP-OAHLLOKOSA-N -1 1 389.820 3.930 20 5 GHBDMM CCc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000301395674 860469538 /nfs/dbraw/zinc/46/95/38/860469538.db2.gz LTHPRQCDANNVEO-UHFFFAOYSA-N -1 1 377.360 3.784 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092263188 860566766 /nfs/dbraw/zinc/56/67/66/860566766.db2.gz BXOWPHATPHKRPQ-LBPRGKRZSA-N -1 1 392.330 3.706 20 5 GHBDMM COc1cccc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000444174208 863606497 /nfs/dbraw/zinc/60/64/97/863606497.db2.gz WQXHTPMFWQMZCK-UHFFFAOYSA-N -1 1 388.430 3.858 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c(C)c1C ZINC000736420077 865202788 /nfs/dbraw/zinc/20/27/88/865202788.db2.gz DXWXDIBMHCBCIB-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000534682720 867243448 /nfs/dbraw/zinc/24/34/48/867243448.db2.gz IJKIRCOPYNNKKG-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445160670 867875091 /nfs/dbraw/zinc/87/50/91/867875091.db2.gz OUINXGHIWPNASS-OAHLLOKOSA-N -1 1 391.305 3.882 20 5 GHBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445183948 867906235 /nfs/dbraw/zinc/90/62/35/867906235.db2.gz JTQUKZHSWUYOKR-UHFFFAOYSA-N -1 1 386.436 3.807 20 5 GHBDMM COc1cccc(Cn2c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc3ccccc32)c1 ZINC000609073253 868551555 /nfs/dbraw/zinc/55/15/55/868551555.db2.gz GEJREZVSCBLCCT-UHFFFAOYSA-N -1 1 391.387 3.582 20 5 GHBDMM COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000538681638 870304407 /nfs/dbraw/zinc/30/44/07/870304407.db2.gz MDLIGYDWDJWWFH-UHFFFAOYSA-N -1 1 388.767 3.605 20 5 GHBDMM COc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000443298162 870761669 /nfs/dbraw/zinc/76/16/69/870761669.db2.gz TXRNAFVYCLGBHS-QGZVFWFLSA-N -1 1 394.836 3.850 20 5 GHBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000463208934 871145200 /nfs/dbraw/zinc/14/52/00/871145200.db2.gz ZNTILABQLOGIFT-AWEZNQCLSA-N -1 1 380.404 3.898 20 5 GHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1F ZINC000478065621 872472725 /nfs/dbraw/zinc/47/27/25/872472725.db2.gz VTGUBSIXTZPSTB-UHFFFAOYSA-N -1 1 382.344 3.634 20 5 GHBDMM CCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000619826378 873058367 /nfs/dbraw/zinc/05/83/67/873058367.db2.gz SQOWJMKJAHUFCR-UHFFFAOYSA-N -1 1 391.449 3.833 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc([N+](=O)[O-])c1F ZINC000768274205 873202936 /nfs/dbraw/zinc/20/29/36/873202936.db2.gz OGWRJBRJGNBGNB-UHFFFAOYSA-N -1 1 394.424 3.770 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000492243065 876499981 /nfs/dbraw/zinc/49/99/81/876499981.db2.gz VHMBSSXHIDEHJR-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000788113060 877869629 /nfs/dbraw/zinc/86/96/29/877869629.db2.gz XDDXIVZNFZTWGW-UHFFFAOYSA-N -1 1 392.112 3.507 20 5 GHBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790382696 879653178 /nfs/dbraw/zinc/65/31/78/879653178.db2.gz ZFVBVPXPLOUQAZ-UHFFFAOYSA-N -1 1 379.394 3.537 20 5 GHBDMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cnc2n1 ZINC000452869291 880133631 /nfs/dbraw/zinc/13/36/31/880133631.db2.gz IGVJFBMTVHNHHR-HNNXBMFYSA-N -1 1 392.415 3.572 20 5 GHBDMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)c[n-]c2n1 ZINC000452869291 880133635 /nfs/dbraw/zinc/13/36/35/880133635.db2.gz IGVJFBMTVHNHHR-HNNXBMFYSA-N -1 1 392.415 3.572 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000609648154 883482529 /nfs/dbraw/zinc/48/25/29/883482529.db2.gz GSALJIKWQAPJAH-UHFFFAOYSA-N -1 1 384.417 3.991 20 5 GHBDMM O=C(N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001183695511 912735215 /nfs/dbraw/zinc/73/52/15/912735215.db2.gz XCAIQFDFRDRLOF-OCCSQVGLSA-N -1 1 375.812 3.805 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000609219747 886221078 /nfs/dbraw/zinc/22/10/78/886221078.db2.gz SZPLCFUWNLRDRX-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Cl)cc1Cl ZINC000809827435 887879188 /nfs/dbraw/zinc/87/91/88/887879188.db2.gz ODLODOYWFYLIKJ-ZETCQYMHSA-N -1 1 389.207 3.758 20 5 GHBDMM COc1cc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000153870862 888767277 /nfs/dbraw/zinc/76/72/77/888767277.db2.gz FWBNRBBIXQQADR-UHFFFAOYSA-N -1 1 393.827 3.503 20 5 GHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000567206081 896967709 /nfs/dbraw/zinc/96/77/09/896967709.db2.gz TVXGJKQYLQSXLW-UHFFFAOYSA-N -1 1 386.426 3.655 20 5 GHBDMM CCc1ccc(CN2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)s1 ZINC000567976243 897518735 /nfs/dbraw/zinc/51/87/35/897518735.db2.gz JMUZZIFTEUBMDD-UHFFFAOYSA-N -1 1 389.477 3.548 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(F)ccc1[N+](=O)[O-] ZINC000800051324 898537571 /nfs/dbraw/zinc/53/75/71/898537571.db2.gz JKRKDSYYLWGBSP-UHFFFAOYSA-N -1 1 394.302 3.742 20 5 GHBDMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000884150167 899091008 /nfs/dbraw/zinc/09/10/08/899091008.db2.gz FWVAMPUSELITEN-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc([O-])c([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000119335222 899592241 /nfs/dbraw/zinc/59/22/41/899592241.db2.gz VFSPCCPDSKHTHU-AWEZNQCLSA-N -1 1 380.404 3.505 20 5 GHBDMM CCCC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC001186625317 914670171 /nfs/dbraw/zinc/67/01/71/914670171.db2.gz YEONOLVAWCENGG-OAHLLOKOSA-N -1 1 384.479 3.875 20 5 GHBDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)n1 ZINC000191798048 907249215 /nfs/dbraw/zinc/24/92/15/907249215.db2.gz AUMSRSAJOZALHT-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795381465 910118548 /nfs/dbraw/zinc/11/85/48/910118548.db2.gz QASVAYKYMZDXPN-SECBINFHSA-N -1 1 388.804 3.550 20 5 GHBDMM Cc1nc(C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)sc1C(=O)[O-] ZINC000901799676 921579338 /nfs/dbraw/zinc/57/93/38/921579338.db2.gz UBHPDCQJYPKPPD-GQCTYLIASA-N -1 1 387.461 3.951 20 5 GHBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000038039612 910512536 /nfs/dbraw/zinc/51/25/36/910512536.db2.gz JBHHMVOQCWLHIZ-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000008053769 921099601 /nfs/dbraw/zinc/09/96/01/921099601.db2.gz CYVXJAORWXHQGI-AWEZNQCLSA-N -1 1 398.444 3.964 20 5 GHBDMM C[C@@H]1CSC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000557735241 931640206 /nfs/dbraw/zinc/64/02/06/931640206.db2.gz WDLIJURBXIJTAH-WBMJQRKESA-N -1 1 393.490 3.559 20 5 GHBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(C)(C(=O)[O-])CC2)cc1OC ZINC001589458681 954854000 /nfs/dbraw/zinc/85/40/00/954854000.db2.gz JAOLABPTLBPAOB-CQSZACIVSA-N -1 1 394.468 3.715 20 5 GHBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC001589469026 986937664 /nfs/dbraw/zinc/93/76/64/986937664.db2.gz OLONHFOMVNNYDV-BDJLRTHQSA-N -1 1 393.237 3.909 20 5 GHBDMM CSc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1C(=O)[O-] ZINC001599819631 988488511 /nfs/dbraw/zinc/48/85/11/988488511.db2.gz ZJLUNDPSPQZCOT-UHFFFAOYSA-N -1 1 398.400 3.657 20 5 GHBDMM COc1cccc([C@](C)(CC(=O)[O-])NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001599654904 994562535 /nfs/dbraw/zinc/56/25/35/994562535.db2.gz BTJMOKJGEPWTCW-SFHVURJKSA-N -1 1 378.812 3.737 20 5 GHBDMM O=c1ncc(Br)c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001227137846 1032286249 /nfs/dbraw/zinc/28/62/49/1032286249.db2.gz LJZDORZIPXBDDZ-VIFPVBQESA-N -1 1 394.103 3.535 20 5 GHBDMM COCC(=O)c1ccc([O-])cc1O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001227172664 1032307645 /nfs/dbraw/zinc/30/76/45/1032307645.db2.gz QBWPKBLWARQWKI-INIZCTEOSA-N -1 1 385.294 3.812 20 5 GHBDMM CC(C)CCOC(=O)[C@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227310641 1032368990 /nfs/dbraw/zinc/36/89/90/1032368990.db2.gz WNVZUVJZSWQTTF-LBPRGKRZSA-N -1 1 386.400 3.714 20 5 GHBDMM CCC(=O)c1c(O)cc([O-])cc1OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001228560596 1032987844 /nfs/dbraw/zinc/98/78/44/1032987844.db2.gz PTERZWXADIHVFF-UHFFFAOYSA-N -1 1 386.404 3.647 20 5 GHBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc([O-])c1Br ZINC001141219274 1024170026 /nfs/dbraw/zinc/17/00/26/1024170026.db2.gz VUMYYIBCCAAWTQ-UHFFFAOYSA-N -1 1 390.193 3.656 20 5 GHBDMM O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1c([O-])cccc1F ZINC001161910124 1025490242 /nfs/dbraw/zinc/49/02/42/1025490242.db2.gz KLSYOXQHDQUKCY-CYBMUJFWSA-N -1 1 376.237 3.612 20 5 GHBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001209948420 1027290873 /nfs/dbraw/zinc/29/08/73/1027290873.db2.gz ZTTHKXOACWWSGW-UHFFFAOYSA-N -1 1 399.296 3.511 20 5 GHBDMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001210524849 1027544002 /nfs/dbraw/zinc/54/40/02/1027544002.db2.gz GRGWUPPYZMSIEZ-RYUDHWBXSA-N -1 1 378.903 3.591 20 5 GHBDMM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001210524850 1027544078 /nfs/dbraw/zinc/54/40/78/1027544078.db2.gz GRGWUPPYZMSIEZ-VXGBXAGGSA-N -1 1 378.903 3.591 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c(Cl)cc1Cl ZINC001211296041 1027898628 /nfs/dbraw/zinc/89/86/28/1027898628.db2.gz VFVWOHQEHFYBJE-DAXSKMNVSA-N -1 1 387.244 3.893 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]Cc2ccsc2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001213316445 1028105685 /nfs/dbraw/zinc/10/56/85/1028105685.db2.gz XJOJCHGRROYHRX-UHFFFAOYSA-N -1 1 398.359 3.601 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c(Cl)cc1Cl ZINC001213391804 1028159092 /nfs/dbraw/zinc/15/90/92/1028159092.db2.gz XFMZXDBPUKRDFX-SNVBAGLBSA-N -1 1 379.265 3.926 20 5 GHBDMM CCC(CC)(C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C(F)(F)F ZINC001213460944 1028203711 /nfs/dbraw/zinc/20/37/11/1028203711.db2.gz GEESXYSMUHOODP-UHFFFAOYSA-N -1 1 386.367 3.689 20 5 GHBDMM COc1ccc([C@H](C)Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)cn1 ZINC001229801366 1033726130 /nfs/dbraw/zinc/72/61/30/1033726130.db2.gz DMWSEXRFOXVXAG-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM CCOC(=O)[C@@H](C)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233497043 1039391117 /nfs/dbraw/zinc/39/11/17/1039391117.db2.gz DLXONGBDOCVOTD-UPONEAKYSA-N -1 1 395.721 3.633 20 5 GHBDMM CC(C)(C)C(=O)OC1CC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741008 1040266236 /nfs/dbraw/zinc/26/62/36/1040266236.db2.gz DIBUIPXRPOUQGX-UHFFFAOYSA-N -1 1 398.411 3.857 20 5 GHBDMM Cc1cn2c(n1)[C@@H](Oc1cc([O-])cc3oc4ccc(O)cc4c(=O)c13)CCC2 ZINC001234747741 1040271989 /nfs/dbraw/zinc/27/19/89/1040271989.db2.gz OBGSTBUCRUZPCA-INIZCTEOSA-N -1 1 378.384 3.776 20 5 GHBDMM CCCCOC[C@@H](C)Oc1cc2c(=O)c3c(OC)cc([O-])cc3oc2cc1O ZINC001234802521 1040333853 /nfs/dbraw/zinc/33/38/53/1040333853.db2.gz YRAALRPJAUNIPL-GFCCVEGCSA-N -1 1 388.416 3.950 20 5 GHBDMM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)c([O-])cc1Cl ZINC001304285401 1047635911 /nfs/dbraw/zinc/63/59/11/1047635911.db2.gz XWHJEYOFDFYSEJ-UHFFFAOYSA-N -1 1 383.719 3.572 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)cc1Cl ZINC001308995746 1050255816 /nfs/dbraw/zinc/25/58/16/1050255816.db2.gz YQNHLRSUVYRGPV-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309671908 1050911621 /nfs/dbraw/zinc/91/16/21/1050911621.db2.gz DZMJZTYAJSLFRL-CYBMUJFWSA-N -1 1 386.832 3.687 20 5 GHBDMM O=C([O-])[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001353916362 1056127455 /nfs/dbraw/zinc/12/74/55/1056127455.db2.gz SUHNGKLZDAPZLG-KCCJJVRFSA-N -1 1 388.370 3.686 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC001347068708 1062088186 /nfs/dbraw/zinc/08/81/86/1062088186.db2.gz VWJAUMNKHLVNMA-UHFFFAOYSA-N -1 1 389.371 3.883 20 5 GHBDMM CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001463698269 1064557071 /nfs/dbraw/zinc/55/70/71/1064557071.db2.gz SMVWUJYTKPJTKE-UHFFFAOYSA-N -1 1 378.425 3.523 20 5 GHBDMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC001463889196 1064697612 /nfs/dbraw/zinc/69/76/12/1064697612.db2.gz SVLQSCUEJGRGOQ-JTQLQIEISA-N -1 1 378.853 3.882 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c1C ZINC001464118924 1064834719 /nfs/dbraw/zinc/83/47/19/1064834719.db2.gz XDXZNVDDDSNGGT-CQSZACIVSA-N -1 1 376.425 3.704 20 5 GHBDMM CCSc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001464366826 1064973548 /nfs/dbraw/zinc/97/35/48/1064973548.db2.gz AUBYGLVBLZJUNU-UHFFFAOYSA-N -1 1 386.882 3.839 20 5 GHBDMM O=C(Nc1cc(Br)ccc1OC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC001469267048 1068072768 /nfs/dbraw/zinc/07/27/68/1068072768.db2.gz UEZWPHYNNFQTGB-UHFFFAOYSA-N -1 1 394.103 3.836 20 5 GHBDMM CCC(CC)([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001474914645 1074630439 /nfs/dbraw/zinc/63/04/39/1074630439.db2.gz WMHYRNHLLULFCQ-UHFFFAOYSA-N -1 1 383.857 3.637 20 5 GHBDMM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001474930731 1074637009 /nfs/dbraw/zinc/63/70/09/1074637009.db2.gz HSDUNIPZTFZEHP-OAHLLOKOSA-N -1 1 382.869 3.938 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccccc2C(C)C)cc1F ZINC001474977935 1074663883 /nfs/dbraw/zinc/66/38/83/1074663883.db2.gz PZQNNRIDXJMDGV-UHFFFAOYSA-N -1 1 396.440 3.523 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC001475786102 1075021484 /nfs/dbraw/zinc/02/14/84/1075021484.db2.gz ASSNIFPMSVBLND-CHWSQXEVSA-N -1 1 398.843 3.544 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl ZINC000007428308 212074805 /nfs/dbraw/zinc/07/48/05/212074805.db2.gz XKNNHEZZBVBXAK-UHFFFAOYSA-N -1 1 396.730 3.948 20 5 GHBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000820926933 606479343 /nfs/dbraw/zinc/47/93/43/606479343.db2.gz XULUPUYGNRMNDM-HNNXBMFYSA-N -1 1 375.392 3.886 20 5 GHBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000820926933 606479345 /nfs/dbraw/zinc/47/93/45/606479345.db2.gz XULUPUYGNRMNDM-HNNXBMFYSA-N -1 1 375.392 3.886 20 5 GHBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2ccccc2c2cccnc12 ZINC000826450731 607999624 /nfs/dbraw/zinc/99/96/24/607999624.db2.gz AWDHPGVQUYBVGX-UHFFFAOYSA-N -1 1 382.383 3.526 20 5 GHBDMM COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])c(C)s3)s2)cc1 ZINC000136304211 835937141 /nfs/dbraw/zinc/93/71/41/835937141.db2.gz FFMVPMVMJLYGEN-UHFFFAOYSA-N -1 1 376.419 3.744 20 5 GHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n[nH]1 ZINC000177500552 837965067 /nfs/dbraw/zinc/96/50/67/837965067.db2.gz ASPVDSRJBRNION-UHFFFAOYSA-N -1 1 388.405 3.528 20 5 GHBDMM Cc1c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033746075 837986896 /nfs/dbraw/zinc/98/68/96/837986896.db2.gz ZWSFKZACOIODNW-UHFFFAOYSA-N -1 1 399.388 3.506 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1[N+](=O)[O-] ZINC000024432506 838095092 /nfs/dbraw/zinc/09/50/92/838095092.db2.gz ZYRWGNASESWTBV-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000431165486 843747249 /nfs/dbraw/zinc/74/72/49/843747249.db2.gz FKGYZQVUIIDKON-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM COc1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)c([N+](=O)[O-])cc1F ZINC001126358978 844826815 /nfs/dbraw/zinc/82/68/15/844826815.db2.gz POZZZYYIODBLSB-UHFFFAOYSA-N -1 1 382.760 3.653 20 5 GHBDMM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511046394 845913715 /nfs/dbraw/zinc/91/37/15/845913715.db2.gz MJWGBBIEOGZIPX-UHFFFAOYSA-N -1 1 384.841 3.514 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000582317440 846852864 /nfs/dbraw/zinc/85/28/64/846852864.db2.gz SGTYHPFIORJMAU-UHFFFAOYSA-N -1 1 382.850 3.941 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C)c1 ZINC000731782281 861888390 /nfs/dbraw/zinc/88/83/90/861888390.db2.gz MDPKVLCXMSEIIA-UHFFFAOYSA-N -1 1 389.477 3.867 20 5 GHBDMM CSc1ccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cc1[N+](=O)[O-] ZINC000473667008 851555278 /nfs/dbraw/zinc/55/52/78/851555278.db2.gz ZFUZOYRVMAMWTR-UHFFFAOYSA-N -1 1 390.371 3.659 20 5 GHBDMM COc1ccc(-c2ccc(CNCc3ccc(C(=O)[O-])cc3)o2)c([N+](=O)[O-])c1 ZINC000426704620 852290098 /nfs/dbraw/zinc/29/00/98/852290098.db2.gz RQZSOXNEAFADAZ-UHFFFAOYSA-N -1 1 382.372 3.851 20 5 GHBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436974754 852560772 /nfs/dbraw/zinc/56/07/72/852560772.db2.gz BIWBWPZXXARDTK-AWEZNQCLSA-N -1 1 386.795 3.807 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000517911771 852595125 /nfs/dbraw/zinc/59/51/25/852595125.db2.gz YEKPWQJNAGCVOX-UHFFFAOYSA-N -1 1 382.850 3.941 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000165149431 854730771 /nfs/dbraw/zinc/73/07/71/854730771.db2.gz ISXQGLANIDHXGL-UHFFFAOYSA-N -1 1 375.381 3.700 20 5 GHBDMM O=C([N-]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)c1cc(F)cc(F)c1 ZINC001127127879 855243912 /nfs/dbraw/zinc/24/39/12/855243912.db2.gz NLTAGIMZRSGBRF-UHFFFAOYSA-N -1 1 376.693 3.935 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H]1CCCS1 ZINC000301602584 855328394 /nfs/dbraw/zinc/32/83/94/855328394.db2.gz KKHFDPGPHUGACO-AWEZNQCLSA-N -1 1 393.490 3.703 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000573038792 855700130 /nfs/dbraw/zinc/70/01/30/855700130.db2.gz UZLFBFJANYNEKN-UHFFFAOYSA-N -1 1 392.433 3.578 20 5 GHBDMM CCC[C@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000467652747 856664434 /nfs/dbraw/zinc/66/44/34/856664434.db2.gz GHKQXHURCCWRRE-ZDUSSCGKSA-N -1 1 392.485 3.517 20 5 GHBDMM Cc1nc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1-c1ccccc1 ZINC001129117633 857668483 /nfs/dbraw/zinc/66/84/83/857668483.db2.gz ZKGOMHUMIOKVOU-UHFFFAOYSA-N -1 1 391.309 3.755 20 5 GHBDMM COc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(Cl)c1[O-] ZINC000443053305 858340087 /nfs/dbraw/zinc/34/00/87/858340087.db2.gz ROSDTFUOLSTBPH-UHFFFAOYSA-N -1 1 376.796 3.767 20 5 GHBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CC(=O)[O-])CC2)cc1OC ZINC000568064561 858839270 /nfs/dbraw/zinc/83/92/70/858839270.db2.gz IJCXSJLAXPRPAK-CQSZACIVSA-N -1 1 394.468 3.715 20 5 GHBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(COc2ccccc2F)on1 ZINC000466429060 859460305 /nfs/dbraw/zinc/46/03/05/859460305.db2.gz UWBOWMGHEXWZBH-UHFFFAOYSA-N -1 1 375.287 3.692 20 5 GHBDMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000480143012 864131920 /nfs/dbraw/zinc/13/19/20/864131920.db2.gz GHEQKRYITOSZJB-UHFFFAOYSA-N -1 1 397.778 3.887 20 5 GHBDMM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000494492247 881792015 /nfs/dbraw/zinc/79/20/15/881792015.db2.gz HQCBOBZETOQFNQ-UHFFFAOYSA-N -1 1 384.841 3.550 20 5 GHBDMM C[C@H](CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000445005093 867629645 /nfs/dbraw/zinc/62/96/45/867629645.db2.gz BTFMQSOCSQCSKJ-SNVBAGLBSA-N -1 1 383.326 3.638 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1Br ZINC000743251906 868017083 /nfs/dbraw/zinc/01/70/83/868017083.db2.gz FNWJTUPPPJMHEW-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000746178172 870090308 /nfs/dbraw/zinc/09/03/08/870090308.db2.gz LBVFWTLMIANMEV-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM COc1ccc(CC(=O)Nc2cc(C)cc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000538699807 870331686 /nfs/dbraw/zinc/33/16/86/870331686.db2.gz QTWGIVVRCVIOTO-UHFFFAOYSA-N -1 1 395.209 3.561 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000619507389 872693145 /nfs/dbraw/zinc/69/31/45/872693145.db2.gz MANWMRIDVZDVRM-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000768852945 873593797 /nfs/dbraw/zinc/59/37/97/873593797.db2.gz LHDTXVAZRJUFMK-QMMMGPOBSA-N -1 1 396.368 3.594 20 5 GHBDMM COc1ccccc1-c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000769050159 873789664 /nfs/dbraw/zinc/78/96/64/873789664.db2.gz ZZAXSRPKIJEOOY-UHFFFAOYSA-N -1 1 386.385 3.790 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000786898763 877017075 /nfs/dbraw/zinc/01/70/75/877017075.db2.gz VHGHANLJECHIMV-UHFFFAOYSA-N -1 1 386.861 3.669 20 5 GHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000610038164 877321719 /nfs/dbraw/zinc/32/17/19/877321719.db2.gz VZOIZEKRSFBRPV-UHFFFAOYSA-N -1 1 395.194 3.721 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000610086082 877381055 /nfs/dbraw/zinc/38/10/55/877381055.db2.gz NHSWKHRXOZBQOZ-UHFFFAOYSA-N -1 1 380.809 3.515 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1F ZINC000788303909 877981854 /nfs/dbraw/zinc/98/18/54/877981854.db2.gz GSLSNPGYILARGO-UHFFFAOYSA-N -1 1 389.774 3.588 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000130511607 879439611 /nfs/dbraw/zinc/43/96/11/879439611.db2.gz YSXZQGFOAVZNHQ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790381945 879651469 /nfs/dbraw/zinc/65/14/69/879651469.db2.gz GMXZIZZRAVZQDS-UHFFFAOYSA-N -1 1 393.421 3.791 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000919953121 881243228 /nfs/dbraw/zinc/24/32/28/881243228.db2.gz GLNRBJSIDUXARV-GOEBONIOSA-N -1 1 378.425 3.739 20 5 GHBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)oc1C ZINC000054294027 883540424 /nfs/dbraw/zinc/54/04/24/883540424.db2.gz MAZLIKYMXDBOQK-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000191176566 884528132 /nfs/dbraw/zinc/52/81/32/884528132.db2.gz DBFSDMNPDUNDFR-UHFFFAOYSA-N -1 1 382.825 3.868 20 5 GHBDMM C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000914787540 884792703 /nfs/dbraw/zinc/79/27/03/884792703.db2.gz SVHFOEGRXSGEAV-LQPUYASZSA-N -1 1 387.461 3.613 20 5 GHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)c1C ZINC000808116000 886025815 /nfs/dbraw/zinc/02/58/15/886025815.db2.gz CGBRIRYXVASFMG-UHFFFAOYSA-N -1 1 382.413 3.777 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000193436295 886169020 /nfs/dbraw/zinc/16/90/20/886169020.db2.gz USANSQLTQWTQDH-CYBMUJFWSA-N -1 1 382.203 3.980 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c1Cl ZINC000809392760 887393554 /nfs/dbraw/zinc/39/35/54/887393554.db2.gz FXYWNXCPLAGOOT-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000192464315 892480334 /nfs/dbraw/zinc/48/03/34/892480334.db2.gz PWDKDCZAVVCIQF-UHFFFAOYSA-N -1 1 377.403 3.644 20 5 GHBDMM O=c1[n-]c(Oc2cccc(Cl)c2[N+](=O)[O-])nc2c1cnn2-c1ccccc1 ZINC000814903023 893266199 /nfs/dbraw/zinc/26/61/99/893266199.db2.gz NFMYLHVLGBDERA-UHFFFAOYSA-N -1 1 383.751 3.875 20 5 GHBDMM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1F ZINC000126492230 893585991 /nfs/dbraw/zinc/58/59/91/893585991.db2.gz UXHFLNKRIPIMOL-UHFFFAOYSA-N -1 1 392.767 3.644 20 5 GHBDMM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000466861650 921151978 /nfs/dbraw/zinc/15/19/78/921151978.db2.gz OYPGNHDVWCIOGD-UHFFFAOYSA-N -1 1 390.845 3.588 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000193203480 908174387 /nfs/dbraw/zinc/17/43/87/908174387.db2.gz MWVCORACFDMAHF-UHFFFAOYSA-N -1 1 396.730 3.948 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795381179 910118404 /nfs/dbraw/zinc/11/84/04/910118404.db2.gz NRFJDLRUTXESIA-SECBINFHSA-N -1 1 388.804 3.550 20 5 GHBDMM O=C(CCc1c2ccccc2cc2ccccc21)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001182413994 911628442 /nfs/dbraw/zinc/62/84/42/911628442.db2.gz JVLHAJOAUBYSSG-UHFFFAOYSA-N -1 1 383.411 3.936 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCCCCC1 ZINC000005392775 915145021 /nfs/dbraw/zinc/14/50/21/915145021.db2.gz UOZVDJDBCUPCRR-UHFFFAOYSA-N -1 1 375.450 3.776 20 5 GHBDMM CC(C)(C)c1ccnc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973151 916166209 /nfs/dbraw/zinc/16/62/09/916166209.db2.gz SMGOFLGYHLTDEF-UHFFFAOYSA-N -1 1 382.302 3.746 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC000903917772 923398123 /nfs/dbraw/zinc/39/81/23/923398123.db2.gz XHAXHHCIUZUNFN-UHFFFAOYSA-N -1 1 387.461 3.618 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000749188034 924468523 /nfs/dbraw/zinc/46/85/23/924468523.db2.gz ANVBRLVLQPSNPX-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OC ZINC000725821333 926458251 /nfs/dbraw/zinc/45/82/51/926458251.db2.gz CBSOWPNXWFNYFD-CYBMUJFWSA-N -1 1 384.841 3.686 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)o2)c(Cl)c1 ZINC000546035464 929792187 /nfs/dbraw/zinc/79/21/87/929792187.db2.gz GNJSAKVNWRGDHU-UHFFFAOYSA-N -1 1 388.815 3.580 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)o2)c(Cl)c1 ZINC000546035464 929792193 /nfs/dbraw/zinc/79/21/93/929792193.db2.gz GNJSAKVNWRGDHU-UHFFFAOYSA-N -1 1 388.815 3.580 20 5 GHBDMM C[C@](CC(=O)[O-])(NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 ZINC001592328620 977748342 /nfs/dbraw/zinc/74/83/42/977748342.db2.gz NIHAVXLHYBSBTA-HXUWFJFHSA-N -1 1 381.388 3.730 20 5 GHBDMM C[C@@](NCc1ccc([N+](=O)[O-])c(F)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593299165 994721642 /nfs/dbraw/zinc/72/16/42/994721642.db2.gz QZYNUGOJTQXPGP-INIZCTEOSA-N -1 1 397.200 3.586 20 5 GHBDMM O=c1c2cc(OC[C@@H]3Cc4ccccc4O3)c([O-])cc2oc2cccc(O)c12 ZINC001227307486 1032365654 /nfs/dbraw/zinc/36/56/54/1032365654.db2.gz WVGWAZOMPOLBCY-ZDUSSCGKSA-N -1 1 376.364 3.740 20 5 GHBDMM CC(C)CCOC(=O)[C@@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227310638 1032369154 /nfs/dbraw/zinc/36/91/54/1032369154.db2.gz WNVZUVJZSWQTTF-GFCCVEGCSA-N -1 1 386.400 3.714 20 5 GHBDMM O=c1c2cc(OC[C@H]3COc4cscc4O3)c([O-])cc2oc2cccc(O)c12 ZINC001227311155 1032369354 /nfs/dbraw/zinc/36/93/54/1032369354.db2.gz YNFCEIPFCPCSCK-JTQLQIEISA-N -1 1 398.392 3.638 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228185932 1032830150 /nfs/dbraw/zinc/83/01/50/1032830150.db2.gz MCIQUBVFIXNSKZ-CYBMUJFWSA-N -1 1 381.388 3.504 20 5 GHBDMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001156551584 1033098231 /nfs/dbraw/zinc/09/82/31/1033098231.db2.gz XCRQJVHUTHCGOG-UHFFFAOYSA-N -1 1 388.729 3.832 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1[N+](=O)[O-] ZINC000755026803 1023030117 /nfs/dbraw/zinc/03/01/17/1023030117.db2.gz NNAMNLXXENTHMF-UHFFFAOYSA-N -1 1 398.853 3.671 20 5 GHBDMM CC(C)Oc1cc(COc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cnc1F ZINC001228859954 1033143382 /nfs/dbraw/zinc/14/33/82/1033143382.db2.gz OOSIXBWLXAFXBT-UHFFFAOYSA-N -1 1 391.277 3.615 20 5 GHBDMM CC(C)(C(=O)Nc1cccc([O-])c1Br)c1ccccc1[N+](=O)[O-] ZINC001141222032 1024181939 /nfs/dbraw/zinc/18/19/39/1024181939.db2.gz HWCJJUAEFUOPHI-UHFFFAOYSA-N -1 1 379.210 3.979 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2nccc(Cl)c2I)ccc1[O-] ZINC001210392989 1027484865 /nfs/dbraw/zinc/48/48/65/1027484865.db2.gz RUXQORNTEZKACS-UHFFFAOYSA-N -1 1 391.552 3.697 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001213359925 1028134950 /nfs/dbraw/zinc/13/49/50/1028134950.db2.gz KDYFXNOWQUSNDJ-WKPIXPDZSA-N -1 1 399.255 3.518 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC)c1cccc(F)c1C ZINC001226309796 1031911595 /nfs/dbraw/zinc/91/15/95/1031911595.db2.gz JEKREUAPHPSMOP-AWEZNQCLSA-N -1 1 378.356 3.850 20 5 GHBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N-]Oc1ccccc1F ZINC001154216320 1031988595 /nfs/dbraw/zinc/98/85/95/1031988595.db2.gz ZVMVUHNCMXFWMR-UHFFFAOYSA-N -1 1 387.289 3.665 20 5 GHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001154317459 1032040578 /nfs/dbraw/zinc/04/05/78/1032040578.db2.gz ZBTSYULXMBBYHA-UHFFFAOYSA-N -1 1 381.182 3.714 20 5 GHBDMM O=[P@]([O-])(O)C1(Nc2ccc3ccc4cccnc4c3n2)Cc2ccccc2C1 ZINC001157157413 1033437075 /nfs/dbraw/zinc/43/70/75/1033437075.db2.gz WHIDCTQBYNNXNH-UHFFFAOYSA-N -1 1 391.367 3.868 20 5 GHBDMM CCOC(=O)C[C@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C(F)(F)F ZINC001229516205 1033533658 /nfs/dbraw/zinc/53/36/58/1033533658.db2.gz IPXIFIZFOPJMOR-INIZCTEOSA-N -1 1 396.317 3.915 20 5 GHBDMM Cc1cc([O-])c(OC(C)(C)[C@H]2Cc3cc4ccc(=O)oc4cc3O2)cc1[N+](=O)[O-] ZINC001229749510 1033682834 /nfs/dbraw/zinc/68/28/34/1033682834.db2.gz BRYJYIDVPNUGFH-LJQANCHMSA-N -1 1 397.383 3.876 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)cc1[N+](=O)[O-] ZINC001229751928 1033687362 /nfs/dbraw/zinc/68/73/62/1033687362.db2.gz ZBQDMHSDZFSDPB-AWEZNQCLSA-N -1 1 388.367 3.632 20 5 GHBDMM Cc1cc([O-])c(OC2CN(Cc3ccc(Br)cc3)C2)cc1[N+](=O)[O-] ZINC001229753036 1033688967 /nfs/dbraw/zinc/68/89/67/1033688967.db2.gz FXYZKJRYIMCCQH-UHFFFAOYSA-N -1 1 393.237 3.635 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258793 1034489246 /nfs/dbraw/zinc/48/92/46/1034489246.db2.gz CNFUUPZXOUGCBR-KUHUBIRLSA-N -1 1 393.440 3.562 20 5 GHBDMM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC001208430740 1034893253 /nfs/dbraw/zinc/89/32/53/1034893253.db2.gz AYXMQSLVXZJXCG-PSASIEDQSA-N -1 1 388.804 3.582 20 5 GHBDMM O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001160693593 1035038460 /nfs/dbraw/zinc/03/84/60/1035038460.db2.gz URDKWQNIPBJUPK-UHFFFAOYSA-N -1 1 389.839 3.981 20 5 GHBDMM CCOC(=O)c1nc(Cl)c(Cl)nc1[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC001248466673 1035892988 /nfs/dbraw/zinc/89/29/88/1035892988.db2.gz WJMGQGKARSTQPT-UHFFFAOYSA-N -1 1 387.179 3.621 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497709 1039391273 /nfs/dbraw/zinc/39/12/73/1039391273.db2.gz HJFTWRRAZOVMAL-SECBINFHSA-N -1 1 382.804 3.513 20 5 GHBDMM CCOC(=O)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001233498196 1039393147 /nfs/dbraw/zinc/39/31/47/1039393147.db2.gz JWZPFLLLNFMFQQ-HNNXBMFYSA-N -1 1 375.768 3.808 20 5 GHBDMM CCOC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ccccc1 ZINC001233498196 1039393160 /nfs/dbraw/zinc/39/31/60/1039393160.db2.gz JWZPFLLLNFMFQQ-HNNXBMFYSA-N -1 1 375.768 3.808 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1 ZINC001233942446 1039718023 /nfs/dbraw/zinc/71/80/23/1039718023.db2.gz XPUKQFCAAPSXQI-AWEZNQCLSA-N -1 1 395.415 3.698 20 5 GHBDMM C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ncccc1F ZINC001234125428 1039868477 /nfs/dbraw/zinc/86/84/77/1039868477.db2.gz QWCOQBQJHNCFTQ-VIFPVBQESA-N -1 1 383.331 3.737 20 5 GHBDMM CC(C)C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C(=O)OC(C)C ZINC001234874862 1040387720 /nfs/dbraw/zinc/38/77/20/1040387720.db2.gz DDPUEBYUHHAFKI-CYBMUJFWSA-N -1 1 390.230 3.808 20 5 GHBDMM COc1cccc(OC[C@@H](C)Oc2c([O-])cc(Br)cc2[N+](=O)[O-])c1 ZINC001234877742 1040391772 /nfs/dbraw/zinc/39/17/72/1040391772.db2.gz QOLRDZOZFHEITE-SNVBAGLBSA-N -1 1 398.209 3.918 20 5 GHBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C2CC2)cc1 ZINC001462766605 1070532093 /nfs/dbraw/zinc/53/20/93/1070532093.db2.gz UVZHKMIKYXQRIF-SFHVURJKSA-N -1 1 378.425 3.780 20 5 GHBDMM COc1cnc([C@H]2CCCN2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[n-]c1=O ZINC001308142806 1049881035 /nfs/dbraw/zinc/88/10/35/1049881035.db2.gz WVWMFLWVEOBIMC-GFCCVEGCSA-N -1 1 399.234 3.743 20 5 GHBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001309105086 1050358445 /nfs/dbraw/zinc/35/84/45/1050358445.db2.gz XYEODVUYDVDJBL-INIZCTEOSA-N -1 1 384.404 3.939 20 5 GHBDMM C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309191001 1050451012 /nfs/dbraw/zinc/45/10/12/1050451012.db2.gz QTXXOHVDNHXKDN-GHMZBOCLSA-N -1 1 378.853 3.882 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)cc1F ZINC001309540390 1050794574 /nfs/dbraw/zinc/79/45/74/1050794574.db2.gz WJPYKRSVKRLSTC-LLVKDONJSA-N -1 1 380.388 3.536 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001356028115 1057361294 /nfs/dbraw/zinc/36/12/94/1057361294.db2.gz QSLFJOIRLYYRFF-UHFFFAOYSA-N -1 1 379.710 3.564 20 5 GHBDMM CC1(C)C[C@@]1([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 ZINC001464149027 1064862028 /nfs/dbraw/zinc/86/20/28/1064862028.db2.gz GLHQLZULLYOPBJ-QGZVFWFLSA-N -1 1 398.843 3.991 20 5 GHBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000833420007 605549164 /nfs/dbraw/zinc/54/91/64/605549164.db2.gz NBOCYEHABNIHNJ-NSHDSACASA-N -1 1 385.258 3.680 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(Cl)c1 ZINC000176727938 837726197 /nfs/dbraw/zinc/72/61/97/837726197.db2.gz IKKLORVZDIAMDY-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C(C)C ZINC000480210324 835082235 /nfs/dbraw/zinc/08/22/35/835082235.db2.gz SFDGXCKLILDSBW-UHFFFAOYSA-N -1 1 396.469 3.530 20 5 GHBDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000318081423 835668680 /nfs/dbraw/zinc/66/86/80/835668680.db2.gz JJLPDYIJWTYYEW-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001211633587 836033446 /nfs/dbraw/zinc/03/34/46/836033446.db2.gz ZQHHKFWJNZUORU-QGZVFWFLSA-N -1 1 391.493 3.963 20 5 GHBDMM CC(C)Oc1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000411320649 836126476 /nfs/dbraw/zinc/12/64/76/836126476.db2.gz GRSOMCUOCGIHAM-UHFFFAOYSA-N -1 1 376.316 3.505 20 5 GHBDMM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000473313238 844174596 /nfs/dbraw/zinc/17/45/96/844174596.db2.gz DZUQPOZAGSCJFE-UHFFFAOYSA-N -1 1 375.812 3.543 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1[N+](=O)[O-] ZINC000064938353 839571635 /nfs/dbraw/zinc/57/16/35/839571635.db2.gz QVSCCZVJCMTNAR-UHFFFAOYSA-N -1 1 376.434 3.631 20 5 GHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000477122393 841819409 /nfs/dbraw/zinc/81/94/09/841819409.db2.gz HZCAAYNDMDMXTM-UHFFFAOYSA-N -1 1 392.293 3.962 20 5 GHBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)on1 ZINC000570269597 842274282 /nfs/dbraw/zinc/27/42/82/842274282.db2.gz SQDCZPWQZGEQKF-UHFFFAOYSA-N -1 1 381.454 3.582 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C)o1 ZINC000135405906 843345105 /nfs/dbraw/zinc/34/51/05/843345105.db2.gz AHJZPMGQVNJEJX-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)c(F)c1 ZINC000610663101 843439842 /nfs/dbraw/zinc/43/98/42/843439842.db2.gz FHTRNMFBTKRPKE-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM Cc1ccc2c(ccnc2NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001167934927 844735128 /nfs/dbraw/zinc/73/51/28/844735128.db2.gz XBXGXFVGQWNFLI-UHFFFAOYSA-N -1 1 399.343 3.536 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c([N+](=O)[O-])c1 ZINC000158633628 847810785 /nfs/dbraw/zinc/81/07/85/847810785.db2.gz UKSXCDFKPIXMTC-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM C[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000604403030 862143957 /nfs/dbraw/zinc/14/39/57/862143957.db2.gz BMMOJPOFKQKKSV-ZDUSSCGKSA-N -1 1 375.450 3.854 20 5 GHBDMM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1[N+](=O)[O-] ZINC000436599710 852085691 /nfs/dbraw/zinc/08/56/91/852085691.db2.gz DDTMRDTURZUFAP-UHFFFAOYSA-N -1 1 395.400 3.861 20 5 GHBDMM COC(=O)c1cc(C)nc([N-]c2cnn(CC(C)C)c2C(C)C)c1[N+](=O)[O-] ZINC000516327177 852423974 /nfs/dbraw/zinc/42/39/74/852423974.db2.gz SQJGITNDOIWGSG-UHFFFAOYSA-N -1 1 375.429 3.804 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000516344089 852446851 /nfs/dbraw/zinc/44/68/51/852446851.db2.gz WRQBUTIZFPVOTB-UHFFFAOYSA-N -1 1 386.882 3.667 20 5 GHBDMM CCN(CC)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000519657955 853344070 /nfs/dbraw/zinc/34/40/70/853344070.db2.gz WBRNQMLPLIGINF-MRXNPFEDSA-N -1 1 392.843 3.836 20 5 GHBDMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000427652290 856475651 /nfs/dbraw/zinc/47/56/51/856475651.db2.gz UGEYLOLVCGEXSH-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM COc1cccc(F)c1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485773857 857061438 /nfs/dbraw/zinc/06/14/38/857061438.db2.gz IFWIQZGQXIJFAE-UHFFFAOYSA-N -1 1 375.175 3.819 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000042004784 857336292 /nfs/dbraw/zinc/33/62/92/857336292.db2.gz ILQGXPQRLFRLNO-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM C[C@@H]1CC[C@@H](C)N1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301883429 858498188 /nfs/dbraw/zinc/49/81/88/858498188.db2.gz JADDANRLJYMEME-ZIAGYGMSSA-N -1 1 375.450 3.773 20 5 GHBDMM O=C([O-])CCC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000596651694 858974542 /nfs/dbraw/zinc/97/45/42/858974542.db2.gz GDHUBWNKKAIKJX-UHFFFAOYSA-N -1 1 375.450 3.795 20 5 GHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H](c2nccs2)c2ccccc2)s1 ZINC000301930537 859176771 /nfs/dbraw/zinc/17/67/71/859176771.db2.gz KRMFNWKYEKOKDO-CYBMUJFWSA-N -1 1 395.487 3.718 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358949 861053148 /nfs/dbraw/zinc/05/31/48/861053148.db2.gz FERPWOSGMDHVMG-UHFFFAOYSA-N -1 1 399.186 3.711 20 5 GHBDMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000730358973 861053769 /nfs/dbraw/zinc/05/37/69/861053769.db2.gz GEONOPDPGKSWBE-MRVPVSSYSA-N -1 1 399.186 3.791 20 5 GHBDMM COc1cccc(CC2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000593736299 861130305 /nfs/dbraw/zinc/13/03/05/861130305.db2.gz ABVBEGZFTVBRMB-UHFFFAOYSA-N -1 1 384.432 3.756 20 5 GHBDMM Cc1[nH]nc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)c1[N+](=O)[O-] ZINC000522956357 863795631 /nfs/dbraw/zinc/79/56/31/863795631.db2.gz YJMMGYMJJJPQFD-UHFFFAOYSA-N -1 1 376.772 3.889 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000738401286 865537549 /nfs/dbraw/zinc/53/75/49/865537549.db2.gz LZKTZCWHHDXNGE-ZDUSSCGKSA-N -1 1 390.795 3.956 20 5 GHBDMM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007413 867632909 /nfs/dbraw/zinc/63/29/09/867632909.db2.gz YDKWMOKRABTZHU-OAHLLOKOSA-N -1 1 383.429 3.779 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1C ZINC000479996501 868876086 /nfs/dbraw/zinc/87/60/86/868876086.db2.gz VLEUIIDPFHDAOB-UHFFFAOYSA-N -1 1 378.454 3.783 20 5 GHBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])on1 ZINC000462396931 869364657 /nfs/dbraw/zinc/36/46/57/869364657.db2.gz LUCYRMFXUZKYQE-UHFFFAOYSA-N -1 1 381.454 3.582 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1OC(C)C ZINC000546886563 869530164 /nfs/dbraw/zinc/53/01/64/869530164.db2.gz UCMQTHQTUBLVKU-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000181329222 870827360 /nfs/dbraw/zinc/82/73/60/870827360.db2.gz VZEDWIOPASOUEB-UHFFFAOYSA-N -1 1 378.740 3.650 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000768794489 873585017 /nfs/dbraw/zinc/58/50/17/873585017.db2.gz QDNRZCVQTAHQTF-MRVPVSSYSA-N -1 1 380.369 3.715 20 5 GHBDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)n1 ZINC000491609742 875864838 /nfs/dbraw/zinc/86/48/38/875864838.db2.gz KADMOPQCUVOMRL-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM O=C([N-]Cc1cc(F)c(Cl)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 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C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000820456297 606644460 /nfs/dbraw/zinc/64/44/60/606644460.db2.gz RQJALJONKXVYQW-SECBINFHSA-N -1 1 389.213 3.711 20 5 GHBDMM O=C(c1ccc(Br)cc1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179871887 836158362 /nfs/dbraw/zinc/15/83/62/836158362.db2.gz PITGJNMJTJEEHG-UHFFFAOYSA-N -1 1 391.221 3.868 20 5 GHBDMM C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000548956967 836719019 /nfs/dbraw/zinc/71/90/19/836719019.db2.gz IRVBTMZUNSUXOC-HUUCEWRRSA-N -1 1 399.447 3.514 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1C ZINC000180287339 836996041 /nfs/dbraw/zinc/99/60/41/836996041.db2.gz WVTSXRZUTONQHB-UHFFFAOYSA-N -1 1 376.221 3.714 20 5 GHBDMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179936365 838556391 /nfs/dbraw/zinc/55/63/91/838556391.db2.gz HMJKSSAUZJHIHB-UHFFFAOYSA-N -1 1 395.400 3.563 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c2ncccc12 ZINC000580121501 838914025 /nfs/dbraw/zinc/91/40/25/838914025.db2.gz ZATUNNZBRPCGTH-UHFFFAOYSA-N -1 1 381.772 3.736 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Br)c1Cl ZINC000566751025 840303397 /nfs/dbraw/zinc/30/33/97/840303397.db2.gz OEDDGDPSKRCMIR-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM O=C([N-]c1nnc(C2CC2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000107767782 841455241 /nfs/dbraw/zinc/45/52/41/841455241.db2.gz SZUKFQAXVGZODW-UHFFFAOYSA-N -1 1 388.327 3.517 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2C)o1 ZINC000135403090 843304428 /nfs/dbraw/zinc/30/44/28/843304428.db2.gz AXLTZLOTQVGSHG-UHFFFAOYSA-N -1 1 390.421 3.612 20 5 GHBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159375388 843631722 /nfs/dbraw/zinc/63/17/22/843631722.db2.gz WEJZBXNVEKLORN-UHFFFAOYSA-N -1 1 388.177 3.863 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000216143351 861802550 /nfs/dbraw/zinc/80/25/50/861802550.db2.gz RHJNOYGNFYCRLH-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000481705513 862085250 /nfs/dbraw/zinc/08/52/50/862085250.db2.gz UAJVBDIYFIFNDY-UHFFFAOYSA-N -1 1 398.444 3.711 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000505315579 850827673 /nfs/dbraw/zinc/82/76/73/850827673.db2.gz ANVDAUQPLMSLEE-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000488238464 851301746 /nfs/dbraw/zinc/30/17/46/851301746.db2.gz NISOICMMQROYBH-STQMWFEESA-N -1 1 384.436 3.602 20 5 GHBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481957798 862551922 /nfs/dbraw/zinc/55/19/22/862551922.db2.gz NJLOGIVZLXEKGB-UHFFFAOYSA-N -1 1 391.449 3.751 20 5 GHBDMM COc1ccc([N-]C(=O)c2c(F)cc(Br)cc2F)c([N+](=O)[O-])c1 ZINC000153648594 855490183 /nfs/dbraw/zinc/49/01/83/855490183.db2.gz OUFOHJDMRBHWPM-UHFFFAOYSA-N -1 1 387.136 3.896 20 5 GHBDMM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000486533118 857825533 /nfs/dbraw/zinc/82/55/33/857825533.db2.gz KBOHWTKVRUGJLY-UHFFFAOYSA-N -1 1 381.388 3.771 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000594733685 858267782 /nfs/dbraw/zinc/26/77/82/858267782.db2.gz BMHLKHGBMHDBBT-SQNIBIBYSA-N -1 1 376.453 3.847 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n[nH]c1-c1ccccc1 ZINC000543644082 859187095 /nfs/dbraw/zinc/18/70/95/859187095.db2.gz BXFHBRGEUKKWGK-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000484537690 860119158 /nfs/dbraw/zinc/11/91/58/860119158.db2.gz YWMKUFZGBPUXMH-UHFFFAOYSA-N -1 1 377.400 3.581 20 5 GHBDMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000484798634 860357749 /nfs/dbraw/zinc/35/77/49/860357749.db2.gz RIFRYHQTGDUNOT-MNOVXSKESA-N -1 1 378.903 3.591 20 5 GHBDMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000730361170 861056338 /nfs/dbraw/zinc/05/63/38/861056338.db2.gz YMZGQNPRYZINNK-MRVPVSSYSA-N -1 1 399.186 3.791 20 5 GHBDMM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734849455 864475453 /nfs/dbraw/zinc/47/54/53/864475453.db2.gz GZJDMBGVGOXSEM-CYBMUJFWSA-N -1 1 386.832 3.687 20 5 GHBDMM COc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc([N+](=O)[O-])c1C ZINC000480536268 864813984 /nfs/dbraw/zinc/81/39/84/864813984.db2.gz LXTBAUXCGMMRQC-UHFFFAOYSA-N -1 1 395.209 3.941 20 5 GHBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444359964 865119576 /nfs/dbraw/zinc/11/95/76/865119576.db2.gz FACZHSFJELGHHJ-UHFFFAOYSA-N -1 1 397.431 3.544 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000740923143 866108667 /nfs/dbraw/zinc/10/86/67/866108667.db2.gz IEOZBLJJQSMQMO-UHFFFAOYSA-N -1 1 387.392 3.577 20 5 GHBDMM O=C(Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])[n-]1 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/nfs/dbraw/zinc/46/45/47/868464547.db2.gz GZTCZWUMLQPPBY-UHFFFAOYSA-N -1 1 383.751 3.857 20 5 GHBDMM O=C(CCOc1ccccc1[N+](=O)[O-])N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000535293473 868504343 /nfs/dbraw/zinc/50/43/43/868504343.db2.gz LUHPSNZBKGGDTB-UHFFFAOYSA-N -1 1 392.824 3.529 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000538756118 870578176 /nfs/dbraw/zinc/57/81/76/870578176.db2.gz JCLZJIPOKJYALA-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM CCCc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000525689082 871244187 /nfs/dbraw/zinc/24/41/87/871244187.db2.gz LBROOOBSNMVFCJ-QGZVFWFLSA-N -1 1 377.466 3.618 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)c2)cc1F ZINC001194401733 871675055 /nfs/dbraw/zinc/67/50/55/871675055.db2.gz XIDBTBLEIVUMTN-UHFFFAOYSA-N -1 1 396.440 3.698 20 5 GHBDMM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045766 873758421 /nfs/dbraw/zinc/75/84/21/873758421.db2.gz 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CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccn1 ZINC000809814806 887827868 /nfs/dbraw/zinc/82/78/68/887827868.db2.gz BYIARQFHAMCOPU-CYBMUJFWSA-N -1 1 387.820 3.602 20 5 GHBDMM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001212088286 891964080 /nfs/dbraw/zinc/96/40/80/891964080.db2.gz LFTNYLOOFXXCLN-QMMMGPOBSA-N -1 1 397.266 3.599 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000918192064 893336370 /nfs/dbraw/zinc/33/63/70/893336370.db2.gz ZIUGWGXHCFEIKM-VIFPVBQESA-N -1 1 392.330 3.792 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000815104098 893477700 /nfs/dbraw/zinc/47/77/00/893477700.db2.gz BZFMCGPJRKZPRU-XYPYZODXSA-N -1 1 384.816 3.612 20 5 GHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]n1 ZINC000760318095 895169184 /nfs/dbraw/zinc/16/91/84/895169184.db2.gz QPGLZSWSBAKPAQ-VIFPVBQESA-N -1 1 386.861 3.984 20 5 GHBDMM Cc1cc(N2CCN([C@H](C)c3ccsc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566290201 896219413 /nfs/dbraw/zinc/21/94/13/896219413.db2.gz CPUFJDSVFQIEDV-CYBMUJFWSA-N -1 1 375.450 3.546 20 5 GHBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2sc3ccccc3c2Cl)cc1 ZINC001185771981 914074171 /nfs/dbraw/zinc/07/41/71/914074171.db2.gz UZCQJHRRMHKLAR-UHFFFAOYSA-N -1 1 396.877 3.984 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)cc1F ZINC001185844155 914136776 /nfs/dbraw/zinc/13/67/76/914136776.db2.gz FUWOGXKQLHFUSE-AWEZNQCLSA-N -1 1 384.816 3.662 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1F ZINC001136438474 897852048 /nfs/dbraw/zinc/85/20/48/897852048.db2.gz QPPFKHZPMAEHSG-UHFFFAOYSA-N -1 1 381.363 3.677 20 5 GHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1OC ZINC000800144733 898660042 /nfs/dbraw/zinc/66/00/42/898660042.db2.gz CUUKCUMUBFSSAB-UHFFFAOYSA-N -1 1 393.327 3.610 20 5 GHBDMM CCN(c1ccccc1)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 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O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000482007611 862603884 /nfs/dbraw/zinc/60/38/84/862603884.db2.gz HMFGKBHVAAUPHS-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000520627312 855854026 /nfs/dbraw/zinc/85/40/26/855854026.db2.gz KERMNYWTWRFOFM-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc2cccnc21 ZINC000427641862 856350998 /nfs/dbraw/zinc/35/09/98/856350998.db2.gz KXJIHJGWLNNKKG-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM COc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc([N+](=O)[O-])c1C ZINC000485646960 856897100 /nfs/dbraw/zinc/89/71/00/856897100.db2.gz ZKKWPMSFLQONOV-UHFFFAOYSA-N -1 1 382.294 3.784 20 5 GHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)n[nH]1 ZINC000160681385 859113952 /nfs/dbraw/zinc/11/39/52/859113952.db2.gz HEWKWKFEQBGOOB-UHFFFAOYSA-N -1 1 388.405 3.528 20 5 GHBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)c([O-])c1 ZINC000764569276 859504177 /nfs/dbraw/zinc/50/41/77/859504177.db2.gz UDSVWKPZPSPXEN-UHFFFAOYSA-N -1 1 385.601 3.646 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000611298506 859690372 /nfs/dbraw/zinc/69/03/72/859690372.db2.gz PGVNNOKVAVYEOZ-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000761281527 860368813 /nfs/dbraw/zinc/36/88/13/860368813.db2.gz VOKRKWWNHSGRHF-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CSC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301334405 860456635 /nfs/dbraw/zinc/45/66/35/860456635.db2.gz NABFGSSNOUQTCO-LBPRGKRZSA-N -1 1 381.479 3.559 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000593740477 861151390 /nfs/dbraw/zinc/15/13/90/861151390.db2.gz NGTZHDKLBUGNMJ-UHFFFAOYSA-N -1 1 384.432 3.517 20 5 GHBDMM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000735081430 864611583 /nfs/dbraw/zinc/61/15/83/864611583.db2.gz DMNMRERRTYZQIA-UHFFFAOYSA-N -1 1 380.441 3.768 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(Br)c1 ZINC000509631392 864935231 /nfs/dbraw/zinc/93/52/31/864935231.db2.gz FGTQIWZKCJZMJR-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000736421551 865202664 /nfs/dbraw/zinc/20/26/64/865202664.db2.gz XGRRJDSZQNLYOE-SNVBAGLBSA-N -1 1 382.825 3.681 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000736421461 865203006 /nfs/dbraw/zinc/20/30/06/865203006.db2.gz SZWJVXARZHCWFW-UHFFFAOYSA-N -1 1 398.824 3.519 20 5 GHBDMM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000445741892 868918617 /nfs/dbraw/zinc/91/86/17/868918617.db2.gz RSODCKBDVSAOBR-UHFFFAOYSA-N -1 1 397.884 3.571 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(C2CCCCC2)cc1 ZINC001192459987 870422526 /nfs/dbraw/zinc/42/25/26/870422526.db2.gz OHNGZYFVQRVWRM-UHFFFAOYSA-N -1 1 389.477 3.559 20 5 GHBDMM O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609111221 871101740 /nfs/dbraw/zinc/10/17/40/871101740.db2.gz BRXWYBHHWICDBA-UHFFFAOYSA-N -1 1 381.826 3.831 20 5 GHBDMM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)oc21 ZINC000768800085 873560616 /nfs/dbraw/zinc/56/06/16/873560616.db2.gz XKYOTFRKCHZDDA-SNVBAGLBSA-N -1 1 396.446 3.841 20 5 GHBDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2[nH]1 ZINC000532037544 880957466 /nfs/dbraw/zinc/95/74/66/880957466.db2.gz HQDYIDQKQVJBSN-UHFFFAOYSA-N -1 1 392.412 3.754 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1C ZINC000476424063 885765611 /nfs/dbraw/zinc/76/56/11/885765611.db2.gz PQVKJGJHXQWBLI-UHFFFAOYSA-N -1 1 376.768 3.944 20 5 GHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C)c1C ZINC000808116290 886028303 /nfs/dbraw/zinc/02/83/03/886028303.db2.gz OBEBDJAUNDONDK-UHFFFAOYSA-N -1 1 382.413 3.777 20 5 GHBDMM CSc1cc2c(cc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F)OCCO2 ZINC000763441165 886042714 /nfs/dbraw/zinc/04/27/14/886042714.db2.gz HPFVCUHXABCBDT-UHFFFAOYSA-N -1 1 382.344 3.618 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000762590581 886481743 /nfs/dbraw/zinc/48/17/43/886481743.db2.gz VYWHCAYELOVMCW-UHFFFAOYSA-N -1 1 376.434 3.933 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000815034653 893387847 /nfs/dbraw/zinc/38/78/47/893387847.db2.gz XEVFXJVHJKGXOM-UHFFFAOYSA-N -1 1 394.758 3.803 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2C)o1 ZINC000191798340 907249684 /nfs/dbraw/zinc/24/96/84/907249684.db2.gz RRZVSLGZAAARNX-UHFFFAOYSA-N -1 1 390.421 3.612 20 5 GHBDMM COCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000191888905 907302185 /nfs/dbraw/zinc/30/21/85/907302185.db2.gz FISCKSRJGGKXKR-UHFFFAOYSA-N -1 1 384.841 3.546 20 5 GHBDMM O=C([O-])CC[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901554118 921354360 /nfs/dbraw/zinc/35/43/60/921354360.db2.gz XLWWQNWEXOKNTN-CYBMUJFWSA-N -1 1 375.450 3.795 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000303809275 915155763 /nfs/dbraw/zinc/15/57/63/915155763.db2.gz NFSLMNAOTJDPQO-ZDUSSCGKSA-N -1 1 390.795 3.956 20 5 GHBDMM O=C(OCc1nc2cc(C(F)(F)F)ccc2o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076349 921760993 /nfs/dbraw/zinc/76/09/93/921760993.db2.gz PKJPMVWVNZLNIY-UHFFFAOYSA-N -1 1 382.250 3.817 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)Cc1cccs1 ZINC001187584259 915351743 /nfs/dbraw/zinc/35/17/43/915351743.db2.gz WPQQRFLGDJUJCB-SECBINFHSA-N -1 1 392.861 3.606 20 5 GHBDMM COc1ccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)c(Cl)c1 ZINC001212972946 916164068 /nfs/dbraw/zinc/16/40/68/916164068.db2.gz NKDCLIOWQMHTTB-UHFFFAOYSA-N -1 1 389.677 3.716 20 5 GHBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000800928834 920612549 /nfs/dbraw/zinc/61/25/49/920612549.db2.gz UFEMROABLVPKFQ-UHFFFAOYSA-N -1 1 379.196 3.983 20 5 GHBDMM C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000726943937 926949263 /nfs/dbraw/zinc/94/92/63/926949263.db2.gz VOJMZVGODWMMAH-ZDUSSCGKSA-N -1 1 378.388 3.666 20 5 GHBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001595012464 951261007 /nfs/dbraw/zinc/26/10/07/951261007.db2.gz ICBRZDPESPNMPW-LBPRGKRZSA-N -1 1 394.815 3.518 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC001589459046 954857564 /nfs/dbraw/zinc/85/75/64/954857564.db2.gz SXQSMKSWKJHYRI-RRFJBIMHSA-N -1 1 394.468 3.713 20 5 GHBDMM CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598442042 991858332 /nfs/dbraw/zinc/85/83/32/991858332.db2.gz LFTOEELMGOKHQM-ZBFHGGJFSA-N -1 1 399.230 3.693 20 5 GHBDMM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001593298509 994716039 /nfs/dbraw/zinc/71/60/39/994716039.db2.gz KBGXYYYZUKUTIF-LLVKDONJSA-N -1 1 398.337 3.928 20 5 GHBDMM CCC[C@H](CC(=O)OCC)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306948 1032365776 /nfs/dbraw/zinc/36/57/76/1032365776.db2.gz QNZQDIIPHNVWLH-GFCCVEGCSA-N -1 1 386.400 3.858 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227309398 1032366513 /nfs/dbraw/zinc/36/65/13/1032366513.db2.gz KTMZTEJJEIWKRV-QWHCGFSZSA-N -1 1 398.411 3.858 20 5 GHBDMM COc1ccc([C@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cc1OC ZINC001228859199 1033140594 /nfs/dbraw/zinc/14/05/94/1033140594.db2.gz IZFAKVJKCMYNJM-QMMMGPOBSA-N -1 1 388.298 3.871 20 5 GHBDMM CCC[C@@H](CC(=O)OCC)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229800974 1033726735 /nfs/dbraw/zinc/72/67/35/1033726735.db2.gz CQURBCNKLQXAOM-ZDUSSCGKSA-N -1 1 386.400 3.858 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)cc1Cl ZINC001208270640 1034841725 /nfs/dbraw/zinc/84/17/25/1034841725.db2.gz AFXBNLWGFBYWOZ-MRXNPFEDSA-N -1 1 384.816 3.817 20 5 GHBDMM COC(=O)c1cc([O-])c(Br)c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001233909013 1039701153 /nfs/dbraw/zinc/70/11/53/1039701153.db2.gz ZPDPCGBRRKLDOR-VIFPVBQESA-N -1 1 396.193 3.990 20 5 GHBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3COCc4ccccc43)c12 ZINC001234125258 1039867286 /nfs/dbraw/zinc/86/72/86/1039867286.db2.gz PWYWZRMTLNRXRF-GOSISDBHSA-N -1 1 392.363 3.713 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)Cc4ccco4)cc([O-])cc3oc21 ZINC001234750418 1040278042 /nfs/dbraw/zinc/27/80/42/1040278042.db2.gz APTKURSNESQLSI-LLVKDONJSA-N -1 1 382.368 3.969 20 5 GHBDMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001309344849 1050616113 /nfs/dbraw/zinc/61/61/13/1050616113.db2.gz VHYWJEJNXBUNMI-SECBINFHSA-N -1 1 390.248 3.645 20 5 GHBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000849336455 1067804960 /nfs/dbraw/zinc/80/49/60/1067804960.db2.gz BZSMPRBSWLREGD-CQSZACIVSA-N -1 1 376.862 3.585 20 5 GHBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1[O-] ZINC001546202657 1074497650 /nfs/dbraw/zinc/49/76/50/1074497650.db2.gz OECUIAFSVKCCGP-UHFFFAOYSA-N -1 1 399.628 3.689 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001475518281 1074903209 /nfs/dbraw/zinc/90/32/09/1074903209.db2.gz LXFJDRUVCFSXET-UHOFOFEASA-N -1 1 399.255 3.518 20 5 GHBDMM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC001475760097 1075016129 /nfs/dbraw/zinc/01/61/29/1075016129.db2.gz YMCPQPRJNCYSIJ-VIFPVBQESA-N -1 1 397.280 3.528 20 5 GHBDMM CC[C@H](N[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000828983395 601380314 /nfs/dbraw/zinc/38/03/14/601380314.db2.gz UYQYYSAZINPDOU-DYVFJYSZSA-N -1 1 385.420 3.669 20 5 GHBDMM Cc1cccc(NC[C@H]2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000832971269 604263946 /nfs/dbraw/zinc/26/39/46/604263946.db2.gz UUUDEPIPJGJSIA-GFCCVEGCSA-N -1 1 390.827 3.588 20 5 GHBDMM Cc1cccc(NC[C@@H]2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000832971270 604263990 /nfs/dbraw/zinc/26/39/90/604263990.db2.gz UUUDEPIPJGJSIA-LBPRGKRZSA-N -1 1 390.827 3.588 20 5 GHBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000820456843 606644497 /nfs/dbraw/zinc/64/44/97/606644497.db2.gz WHSAVBOLICELPY-VIFPVBQESA-N -1 1 376.323 3.549 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(NC2CCCCC2)cc1 ZINC000823624748 606707352 /nfs/dbraw/zinc/70/73/52/606707352.db2.gz ICDFEAOMWDCVOB-UHFFFAOYSA-N -1 1 380.412 3.658 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(NC2CCCCC2)cc1 ZINC000823624748 606707354 /nfs/dbraw/zinc/70/73/54/606707354.db2.gz ICDFEAOMWDCVOB-UHFFFAOYSA-N -1 1 380.412 3.658 20 5 GHBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820460767 607162214 /nfs/dbraw/zinc/16/22/14/607162214.db2.gz BSXSAYGEXMDAQE-ZCFIWIBFSA-N -1 1 398.185 3.789 20 5 GHBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000820460767 607162215 /nfs/dbraw/zinc/16/22/15/607162215.db2.gz BSXSAYGEXMDAQE-ZCFIWIBFSA-N -1 1 398.185 3.789 20 5 GHBDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725828300 834580674 /nfs/dbraw/zinc/58/06/74/834580674.db2.gz FNCSDZLWDZEULL-NSHDSACASA-N -1 1 384.841 3.686 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000180160018 836423878 /nfs/dbraw/zinc/42/38/78/836423878.db2.gz NBKIQNUNQBLYOY-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938358 839571290 /nfs/dbraw/zinc/57/12/90/839571290.db2.gz PFSZNIQGOPUACU-UHFFFAOYSA-N -1 1 376.434 3.631 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1Cl ZINC000500080704 841387017 /nfs/dbraw/zinc/38/70/17/841387017.db2.gz FMHHPYMAHMWXKK-UHFFFAOYSA-N -1 1 392.861 3.705 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000500101254 841439106 /nfs/dbraw/zinc/43/91/06/841439106.db2.gz GZFCJGYLKVMPJR-JTQLQIEISA-N -1 1 393.273 3.929 20 5 GHBDMM COc1ccccc1CN(Cc1cccs1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187545486 842643488 /nfs/dbraw/zinc/64/34/88/842643488.db2.gz HAXHCMCERAIINZ-UHFFFAOYSA-N -1 1 399.428 3.608 20 5 GHBDMM CSC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000302870165 861391893 /nfs/dbraw/zinc/39/18/93/861391893.db2.gz YBZMIRJDDYGHGK-UHFFFAOYSA-N -1 1 393.490 3.703 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(-c2ccc(C)o2)c1C ZINC000135405410 843344756 /nfs/dbraw/zinc/34/47/56/843344756.db2.gz BRYFSKKREKAJAA-UHFFFAOYSA-N -1 1 390.421 3.558 20 5 GHBDMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000016722873 847556535 /nfs/dbraw/zinc/55/65/35/847556535.db2.gz HFRSUERDJGPTSW-UHFFFAOYSA-N -1 1 390.421 3.518 20 5 GHBDMM CCOc1cc([N-]C(=O)c2cc(-c3cccnc3)on2)c([N+](=O)[O-])cc1OCC ZINC000514431980 849829519 /nfs/dbraw/zinc/82/95/19/849829519.db2.gz XLPWLMNNLDHUOW-UHFFFAOYSA-N -1 1 398.375 3.695 20 5 GHBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487771819 850900494 /nfs/dbraw/zinc/90/04/94/850900494.db2.gz QWXCYZBWVKPPDE-UHFFFAOYSA-N -1 1 382.304 3.560 20 5 GHBDMM Cc1cc(N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000910470936 851220724 /nfs/dbraw/zinc/22/07/24/851220724.db2.gz KXGKLLFZOBDRQL-UHFFFAOYSA-N -1 1 383.326 3.685 20 5 GHBDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2[nH]1 ZINC000150801225 852406226 /nfs/dbraw/zinc/40/62/26/852406226.db2.gz ANSMFHPGPZCYSK-UHFFFAOYSA-N -1 1 392.412 3.709 20 5 GHBDMM Cc1nnc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c(C)c2)s1 ZINC000505939050 852654408 /nfs/dbraw/zinc/65/44/08/852654408.db2.gz PQXKKRDFQONVOA-UHFFFAOYSA-N -1 1 375.435 3.795 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3sc(Cl)cc32)s1 ZINC000490424920 853008038 /nfs/dbraw/zinc/00/80/38/853008038.db2.gz WNVLCRUXFKQHTD-QMMMGPOBSA-N -1 1 378.884 3.727 20 5 GHBDMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000481869767 862447007 /nfs/dbraw/zinc/44/70/07/862447007.db2.gz PEKNTNVAMSNNPZ-UHFFFAOYSA-N -1 1 378.450 3.837 20 5 GHBDMM O=C(c1ccc(Br)c([O-])c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163538133 862460606 /nfs/dbraw/zinc/46/06/06/862460606.db2.gz TXIKPKLTUINSNV-UHFFFAOYSA-N -1 1 391.221 3.868 20 5 GHBDMM CCCCCc1nnc([N-]C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])s1 ZINC000019358187 856427062 /nfs/dbraw/zinc/42/70/62/856427062.db2.gz VFXHOWYXKUFWOS-UHFFFAOYSA-N -1 1 394.453 3.839 20 5 GHBDMM O=C(c1ccc(Cl)cc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174807687 857386923 /nfs/dbraw/zinc/38/69/23/857386923.db2.gz XZFQYEUEMVQFLY-UHFFFAOYSA-N -1 1 376.796 3.637 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000595279449 858459530 /nfs/dbraw/zinc/45/95/30/858459530.db2.gz OAJSNVKTBWVOBE-LZWOXQAQSA-N -1 1 394.468 3.571 20 5 GHBDMM C[C@H]1CC[C@H](C)N1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301883427 858498289 /nfs/dbraw/zinc/49/82/89/858498289.db2.gz JADDANRLJYMEME-KBPBESRZSA-N -1 1 375.450 3.773 20 5 GHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1Cl ZINC000543635360 859140433 /nfs/dbraw/zinc/14/04/33/859140433.db2.gz NDTUFIUIMCAFGX-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM O=C(CSC1CCC(C(F)(F)F)CC1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840209816 859615754 /nfs/dbraw/zinc/61/57/54/859615754.db2.gz DGZJAIJVSSYCNK-UHFFFAOYSA-N -1 1 390.383 3.706 20 5 GHBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cccc(Cl)c1SCC(F)F ZINC000123740818 860063226 /nfs/dbraw/zinc/06/32/26/860063226.db2.gz NEUALSWTDIMKEE-UHFFFAOYSA-N -1 1 376.772 3.591 20 5 GHBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 ZINC000598711608 860524402 /nfs/dbraw/zinc/52/44/02/860524402.db2.gz VUXVERXRMBLNAH-UHFFFAOYSA-N -1 1 391.449 3.669 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1[N+](=O)[O-] ZINC000761288536 860594271 /nfs/dbraw/zinc/59/42/71/860594271.db2.gz QDVLYRZBEFQZOI-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CC1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000603476072 860737117 /nfs/dbraw/zinc/73/71/17/860737117.db2.gz AYSKQPIWWWDIES-UHFFFAOYSA-N -1 1 375.450 3.632 20 5 GHBDMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000730360580 861057694 /nfs/dbraw/zinc/05/76/94/861057694.db2.gz YAFVKLDTPFGMCH-MRVPVSSYSA-N -1 1 399.186 3.791 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000736421549 865203168 /nfs/dbraw/zinc/20/31/68/865203168.db2.gz XGRRJDSZQNLYOE-JTQLQIEISA-N -1 1 382.825 3.681 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC(F)F ZINC000608852436 865793460 /nfs/dbraw/zinc/79/34/60/865793460.db2.gz FDZXXDPBJBLXCA-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM O=C(N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146231 867832036 /nfs/dbraw/zinc/83/20/36/867832036.db2.gz VOXTURIAFOHXGZ-KBPBESRZSA-N -1 1 395.337 3.780 20 5 GHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1 ZINC000744530540 868911548 /nfs/dbraw/zinc/91/15/48/868911548.db2.gz IKIIIPQJKTUBTB-UHFFFAOYSA-N -1 1 375.402 3.624 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182543437 872512777 /nfs/dbraw/zinc/51/27/77/872512777.db2.gz YXLVJZHVZFKHSW-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478316464 872858971 /nfs/dbraw/zinc/85/89/71/872858971.db2.gz SQGHSMQNZYYWHF-UHFFFAOYSA-N -1 1 379.710 3.564 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000768804854 873564673 /nfs/dbraw/zinc/56/46/73/873564673.db2.gz JGQFSMLQTNRHQO-NSHDSACASA-N -1 1 392.405 3.687 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000769045712 873758576 /nfs/dbraw/zinc/75/85/76/873758576.db2.gz HPQJEXUEOSCNOB-GFCCVEGCSA-N -1 1 380.356 3.638 20 5 GHBDMM COc1ccc(-c2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cs2)cc1 ZINC000769046854 873760000 /nfs/dbraw/zinc/76/00/00/873760000.db2.gz IMPBHNLLMLJAJX-UHFFFAOYSA-N -1 1 386.385 3.790 20 5 GHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000006270459 880533115 /nfs/dbraw/zinc/53/31/15/880533115.db2.gz KONMEKRQFVHKQW-UHFFFAOYSA-N -1 1 397.412 3.648 20 5 GHBDMM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000520271989 880564350 /nfs/dbraw/zinc/56/43/50/880564350.db2.gz ZBECBPQUZURPGV-UHFFFAOYSA-N -1 1 386.311 3.726 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1 ZINC000609543500 883335927 /nfs/dbraw/zinc/33/59/27/883335927.db2.gz OPXVXCPCGPXZTM-HIFRSBDPSA-N -1 1 380.853 3.863 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)ccc1Cl ZINC000761841030 884773347 /nfs/dbraw/zinc/77/33/47/884773347.db2.gz PGIIJDSHDFSEDG-UHFFFAOYSA-N -1 1 384.845 3.820 20 5 GHBDMM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C[NH+](C)C)c1 ZINC000176581029 884808093 /nfs/dbraw/zinc/80/80/93/884808093.db2.gz IUCSAEJDVILLQF-UHFFFAOYSA-N -1 1 397.884 3.727 20 5 GHBDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000761889191 884952822 /nfs/dbraw/zinc/95/28/22/884952822.db2.gz LYOVZGLYHMOKSN-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000619468177 885068115 /nfs/dbraw/zinc/06/81/15/885068115.db2.gz CNHPUZCRCUXMQS-UHFFFAOYSA-N -1 1 392.767 3.995 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000809383977 887357207 /nfs/dbraw/zinc/35/72/07/887357207.db2.gz CPLDASPRARWZOV-VIFPVBQESA-N -1 1 375.233 3.941 20 5 GHBDMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393198 887393790 /nfs/dbraw/zinc/39/37/90/887393790.db2.gz WHUKXETYHNOIGS-MRVPVSSYSA-N -1 1 395.289 3.873 20 5 GHBDMM Cc1c(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000864031304 887523938 /nfs/dbraw/zinc/52/39/38/887523938.db2.gz YSAJSACUXZCXGG-OAHLLOKOSA-N -1 1 393.365 3.513 20 5 GHBDMM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809806285 887816251 /nfs/dbraw/zinc/81/62/51/887816251.db2.gz JKGZVOCUDRHZNO-VIFPVBQESA-N -1 1 393.248 3.794 20 5 GHBDMM CC(C)(C)SCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809814181 887825914 /nfs/dbraw/zinc/82/59/14/887825914.db2.gz BTFMQYVNBSOUBE-UHFFFAOYSA-N -1 1 387.310 3.712 20 5 GHBDMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809839819 887856794 /nfs/dbraw/zinc/85/67/94/887856794.db2.gz OUZYNEPKANOVGG-SSDOTTSWSA-N -1 1 392.758 3.787 20 5 GHBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809821991 887876847 /nfs/dbraw/zinc/87/68/47/887876847.db2.gz BQCWYQVQKMJRKL-QMMMGPOBSA-N -1 1 387.310 3.712 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000147832714 887907817 /nfs/dbraw/zinc/90/78/17/887907817.db2.gz RNHKEJGPVCOZTI-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)ccc12 ZINC000812270984 890489392 /nfs/dbraw/zinc/48/93/92/890489392.db2.gz BDBLMNUXFBLWKJ-UHFFFAOYSA-N -1 1 394.840 3.553 20 5 GHBDMM Cc1nc(C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)sc1C(=O)[O-] ZINC000872165109 891189147 /nfs/dbraw/zinc/18/91/47/891189147.db2.gz OLGRPNMJPXZMCG-LBPRGKRZSA-N -1 1 375.450 3.999 20 5 GHBDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1cccnc1 ZINC000497745706 892352959 /nfs/dbraw/zinc/35/29/59/892352959.db2.gz JFBVNZVZDSXOCB-CQSZACIVSA-N -1 1 398.444 3.964 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N(C)C(C)C)c(F)c1 ZINC000917746785 892498877 /nfs/dbraw/zinc/49/88/77/892498877.db2.gz OAGPSRDZVLGPKV-UHFFFAOYSA-N -1 1 381.429 3.688 20 5 GHBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1Cl ZINC000536899182 894002506 /nfs/dbraw/zinc/00/25/06/894002506.db2.gz BCQOBYIYBWFHKO-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000567079263 896857373 /nfs/dbraw/zinc/85/73/73/896857373.db2.gz AORZIZBPQUETGK-UHFFFAOYSA-N -1 1 385.239 3.608 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000600673118 902809827 /nfs/dbraw/zinc/80/98/27/902809827.db2.gz COUHUHUTWMSQGF-AWEZNQCLSA-N -1 1 376.359 3.951 20 5 GHBDMM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCc1c(F)cc([O-])cc1F ZINC001178785395 909226662 /nfs/dbraw/zinc/22/66/62/909226662.db2.gz UDSMKUFOPXYJRR-UHFFFAOYSA-N -1 1 384.766 3.524 20 5 GHBDMM O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc(Br)c3ccccc23)no1 ZINC001212893274 911373581 /nfs/dbraw/zinc/37/35/81/911373581.db2.gz VGRFLIFGPTYNDI-UHFFFAOYSA-N -1 1 386.165 3.951 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(Br)c3ccccc23)no1 ZINC001212893274 911373602 /nfs/dbraw/zinc/37/36/02/911373602.db2.gz VGRFLIFGPTYNDI-UHFFFAOYSA-N -1 1 386.165 3.951 20 5 GHBDMM Cc1nc2cc(-c3noc(-c4n[n-]c(C(F)(F)F)c4[N+](=O)[O-])n3)ccc2s1 ZINC001212972518 916159299 /nfs/dbraw/zinc/15/92/99/916159299.db2.gz BAQILXDZXOSOEF-UHFFFAOYSA-N -1 1 396.310 3.972 20 5 GHBDMM COc1ccc(Cl)c(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973147 916166134 /nfs/dbraw/zinc/16/61/34/916166134.db2.gz SHWQPJZIDZXFED-UHFFFAOYSA-N -1 1 389.677 3.716 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC001189972309 917001484 /nfs/dbraw/zinc/00/14/84/917001484.db2.gz OCTLGKVECMHDAW-CQSZACIVSA-N -1 1 384.816 3.743 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000748690052 923785029 /nfs/dbraw/zinc/78/50/29/923785029.db2.gz RXEUSUMCYRMQDU-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000725817738 926456655 /nfs/dbraw/zinc/45/66/55/926456655.db2.gz MAGSCURVSVNNHW-AWEZNQCLSA-N -1 1 384.841 3.686 20 5 GHBDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2[nH]1 ZINC000467411998 929045980 /nfs/dbraw/zinc/04/59/80/929045980.db2.gz QPUJRTAYLZXZQM-UHFFFAOYSA-N -1 1 392.412 3.709 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000544327016 929055938 /nfs/dbraw/zinc/05/59/38/929055938.db2.gz FSYOOFURIWKHGW-UHFFFAOYSA-N -1 1 378.175 3.939 20 5 GHBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000757921801 929856703 /nfs/dbraw/zinc/85/67/03/929856703.db2.gz UECYFALJUBLOIN-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cc2[nH]1 ZINC000759149204 930290535 /nfs/dbraw/zinc/29/05/35/930290535.db2.gz XVSRYTVXIGFMIG-UHFFFAOYSA-N -1 1 380.813 3.542 20 5 GHBDMM CC[C@@](NCc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1 ZINC001595299695 980430248 /nfs/dbraw/zinc/43/02/48/980430248.db2.gz CIENXFIAWDLABS-KRWDZBQOSA-N -1 1 393.237 3.837 20 5 GHBDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001589467263 986925127 /nfs/dbraw/zinc/92/51/27/986925127.db2.gz BYBQEZDTYFUOQE-MEDUHNTESA-N -1 1 393.237 3.909 20 5 GHBDMM CN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598520047 992668696 /nfs/dbraw/zinc/66/86/96/992668696.db2.gz NVHJDQLZYRWRAC-OLZOCXBDSA-N -1 1 390.358 3.611 20 5 GHBDMM C[C@](NCc1ccc([N+](=O)[O-])c(F)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593299167 994720865 /nfs/dbraw/zinc/72/08/65/994720865.db2.gz QZYNUGOJTQXPGP-MRXNPFEDSA-N -1 1 397.200 3.586 20 5 GHBDMM C[C@@](NCc1cccc(Br)c1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303721 994737577 /nfs/dbraw/zinc/73/75/77/994737577.db2.gz DXYZEHFIHNRWSY-INIZCTEOSA-N -1 1 397.200 3.586 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1Cl ZINC000040152659 1019100188 /nfs/dbraw/zinc/10/01/88/1019100188.db2.gz VHXGUEZMDYQWMA-UHFFFAOYSA-N -1 1 399.831 3.788 20 5 GHBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000575867421 1019952692 /nfs/dbraw/zinc/95/26/92/1019952692.db2.gz QWHSFZISTZTAAM-UHFFFAOYSA-N -1 1 391.449 3.553 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2C=CCC2)c1Cl ZINC001213585540 1028280624 /nfs/dbraw/zinc/28/06/24/1028280624.db2.gz WQLQBKVMSRGQLK-SNVBAGLBSA-N -1 1 379.265 3.926 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](c1ccccc1)C(F)(F)F ZINC001226307122 1031910117 /nfs/dbraw/zinc/91/01/17/1031910117.db2.gz FMJFATOXZFPXAY-CYBMUJFWSA-N -1 1 386.282 3.555 20 5 GHBDMM CCOc1cc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC001157525194 1033640565 /nfs/dbraw/zinc/64/05/65/1033640565.db2.gz YVJHEOSCNQOSGK-NSHDSACASA-N -1 1 378.812 3.886 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229804830 1033730316 /nfs/dbraw/zinc/73/03/16/1033730316.db2.gz FLLMMDQVADALPC-OCCSQVGLSA-N -1 1 398.411 3.858 20 5 GHBDMM CC[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC001231262354 1034491492 /nfs/dbraw/zinc/49/14/92/1034491492.db2.gz FSSJOWNXMRCVJW-ZDUSSCGKSA-N -1 1 378.381 3.560 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)cc1Cl ZINC001208270634 1034841864 /nfs/dbraw/zinc/84/18/64/1034841864.db2.gz AFXBNLWGFBYWOZ-INIZCTEOSA-N -1 1 384.816 3.817 20 5 GHBDMM C[C@H](COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)Oc1ccccc1 ZINC001234123675 1039863762 /nfs/dbraw/zinc/86/37/62/1039863762.db2.gz GNCHXTKRJCIINK-GFCCVEGCSA-N -1 1 394.379 3.909 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(OCCOC4CCCC4)cc([O-])cc3oc21 ZINC001234752519 1040279372 /nfs/dbraw/zinc/27/93/72/1040279372.db2.gz YHRMQTRIDJPFHE-UHFFFAOYSA-N -1 1 386.400 3.704 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCOC(C)(C)C4)cc([O-])cc3oc21 ZINC001234752528 1040282201 /nfs/dbraw/zinc/28/22/01/1040282201.db2.gz YOKYNTKYYZZJRL-GFCCVEGCSA-N -1 1 386.400 3.702 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)c4cnn(C)c4C)cc3c(=O)c12 ZINC001234798619 1040328235 /nfs/dbraw/zinc/32/82/35/1040328235.db2.gz IPEBQZUMRGTGDX-LLVKDONJSA-N -1 1 396.399 3.548 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CCCC[C@@H]4OC)cc3c(=O)c12 ZINC001234798256 1040328789 /nfs/dbraw/zinc/32/87/89/1040328789.db2.gz ZLHNPNXSFJTHDI-GJZGRUSLSA-N -1 1 386.400 3.702 20 5 GHBDMM CCOC(=O)[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC001234877680 1040391936 /nfs/dbraw/zinc/39/19/36/1040391936.db2.gz QCIYVTAWLWNJJQ-CQSZACIVSA-N -1 1 396.193 3.746 20 5 GHBDMM CCC[C@@H](CC(=O)OCC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878808 1040392877 /nfs/dbraw/zinc/39/28/77/1040392877.db2.gz XYINYASCPZNRKD-JTQLQIEISA-N -1 1 376.203 3.564 20 5 GHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001295614749 1045072347 /nfs/dbraw/zinc/07/23/47/1045072347.db2.gz ODBBVYQSLVTMJX-UHFFFAOYSA-N -1 1 376.731 3.735 20 5 GHBDMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001323425028 1056967912 /nfs/dbraw/zinc/96/79/12/1056967912.db2.gz DWRXPMVEAFLRQR-UHFFFAOYSA-N -1 1 391.401 3.546 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)n1 ZINC001356140862 1057406718 /nfs/dbraw/zinc/40/67/18/1057406718.db2.gz WGDNOSKNXIQIHM-UHFFFAOYSA-N -1 1 375.797 3.722 20 5 GHBDMM COCc1nocc1C(=O)[N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC001435923789 1063000634 /nfs/dbraw/zinc/00/06/34/1063000634.db2.gz SGMFSYDCTILMJN-UHFFFAOYSA-N -1 1 383.360 3.561 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c(F)c2)cc1F ZINC001463348111 1064271808 /nfs/dbraw/zinc/27/18/08/1064271808.db2.gz FGLIAXLHOLRSRO-VIFPVBQESA-N -1 1 390.795 3.874 20 5 GHBDMM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472531223 1073533798 /nfs/dbraw/zinc/53/37/98/1073533798.db2.gz LKXMBVVAGWDMQY-UWVGGRQHSA-N -1 1 383.326 3.636 20 5 GHBDMM O=[N+]([O-])c1ccc(Oc2cccc(NCc3ccnc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826499812 607552734 /nfs/dbraw/zinc/55/27/34/607552734.db2.gz YOWUIFCKHZDVKM-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1ccc(Oc2cccc(NCc3ccnc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826499812 607552736 /nfs/dbraw/zinc/55/27/36/607552736.db2.gz YOWUIFCKHZDVKM-UHFFFAOYSA-N -1 1 389.375 3.574 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c(Cl)c1 ZINC000431624067 835319186 /nfs/dbraw/zinc/31/91/86/835319186.db2.gz KETGRRGNCKTOPR-CYBMUJFWSA-N -1 1 376.768 3.533 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000547966223 838043711 /nfs/dbraw/zinc/04/37/11/838043711.db2.gz XQBYNQBYFHWIHS-GOSISDBHSA-N -1 1 395.440 3.623 20 5 GHBDMM Cc1cnc(OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c([N+](=O)[O-])c1 ZINC000157894787 842025320 /nfs/dbraw/zinc/02/53/20/842025320.db2.gz GKIQTSLPHAKAMU-UHFFFAOYSA-N -1 1 394.412 3.842 20 5 GHBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000585682871 842045485 /nfs/dbraw/zinc/04/54/85/842045485.db2.gz VGSGKFLIVTXAKU-UHFFFAOYSA-N -1 1 396.359 3.539 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1[N+](=O)[O-] ZINC000548283055 842396881 /nfs/dbraw/zinc/39/68/81/842396881.db2.gz QSYNBRFQUPYSPN-UHFFFAOYSA-N -1 1 398.412 3.639 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000176635695 845331676 /nfs/dbraw/zinc/33/16/76/845331676.db2.gz SRSRPDHPXICTFV-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cccc2ccccc21 ZINC000604432177 862203594 /nfs/dbraw/zinc/20/35/94/862203594.db2.gz CWBBDMHEBPUHGN-UHFFFAOYSA-N -1 1 390.848 3.922 20 5 GHBDMM COc1ccc([C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426828652 852442158 /nfs/dbraw/zinc/44/21/58/852442158.db2.gz ZGYPBOICRFJAKQ-SFHVURJKSA-N -1 1 376.384 3.781 20 5 GHBDMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427255617 852908337 /nfs/dbraw/zinc/90/83/37/852908337.db2.gz GSXCIYGTODQSNB-WCQYABFASA-N -1 1 378.903 3.591 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1c(F)c(F)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000490478142 853045933 /nfs/dbraw/zinc/04/59/33/853045933.db2.gz OMYKJOVCZZCYPJ-UHFFFAOYSA-N -1 1 390.795 3.740 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)o1 ZINC000518423644 853330511 /nfs/dbraw/zinc/33/05/11/853330511.db2.gz LVDGDBNHWBMZHV-UHFFFAOYSA-N -1 1 392.820 3.987 20 5 GHBDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2[nH]1 ZINC000467411988 853492783 /nfs/dbraw/zinc/49/27/83/853492783.db2.gz QOGHUGHLFBMPCL-UHFFFAOYSA-N -1 1 380.451 3.631 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1csc2ccccc12 ZINC000518657547 853615097 /nfs/dbraw/zinc/61/50/97/853615097.db2.gz UJGQGLGVNZPSHY-UHFFFAOYSA-N -1 1 396.877 3.984 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1OC ZINC000572415290 854484618 /nfs/dbraw/zinc/48/46/18/854484618.db2.gz ZXOBTUBPAOBOOW-GRDNDAEWSA-N -1 1 394.468 3.713 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000427608599 855824648 /nfs/dbraw/zinc/82/46/48/855824648.db2.gz ZKZHQAIBJQWTKP-UHFFFAOYSA-N -1 1 384.417 3.991 20 5 GHBDMM C[C@@H]1SCC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000591997485 856563748 /nfs/dbraw/zinc/56/37/48/856563748.db2.gz DDHLFSTYSGSXTC-WFASDCNBSA-N -1 1 393.490 3.702 20 5 GHBDMM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000507869607 856602476 /nfs/dbraw/zinc/60/24/76/856602476.db2.gz BQOJNQHHBODONT-AWEZNQCLSA-N -1 1 396.852 3.613 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC2(CCC2)C1 ZINC000301651268 856850625 /nfs/dbraw/zinc/85/06/25/856850625.db2.gz SDQNOUPIGFKASR-UHFFFAOYSA-N -1 1 387.461 3.776 20 5 GHBDMM O=C(N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552866606 857086132 /nfs/dbraw/zinc/08/61/32/857086132.db2.gz IYXQDVVFWVZUOS-KBPBESRZSA-N -1 1 395.337 3.780 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435289 859028275 /nfs/dbraw/zinc/02/82/75/859028275.db2.gz KBYTWILWZCHQFU-UHFFFAOYSA-N -1 1 389.481 3.758 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1C ZINC000509387922 859271645 /nfs/dbraw/zinc/27/16/45/859271645.db2.gz OXHODMUNRNCDQA-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000543418852 859643322 /nfs/dbraw/zinc/64/33/22/859643322.db2.gz BONKTZWRZBRUBA-UHFFFAOYSA-N -1 1 395.824 3.551 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000474421046 860031509 /nfs/dbraw/zinc/03/15/09/860031509.db2.gz JQQMXTUBZZSSEH-UHFFFAOYSA-N -1 1 384.845 3.738 20 5 GHBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1Cl ZINC000063443950 864763391 /nfs/dbraw/zinc/76/33/91/864763391.db2.gz DAGUYDGXYFTENA-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM CC1(C)SC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000554894048 865127784 /nfs/dbraw/zinc/12/77/84/865127784.db2.gz STOWCBJPWRBEHL-MRXNPFEDSA-N -1 1 393.490 3.702 20 5 GHBDMM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444972996 867546577 /nfs/dbraw/zinc/54/65/77/867546577.db2.gz CTRGCCVMIFYJFS-BONVTDFDSA-N -1 1 395.337 3.938 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000446342369 869710697 /nfs/dbraw/zinc/71/06/97/869710697.db2.gz PIRBTMCPEXJKEO-UHFFFAOYSA-N -1 1 397.431 3.924 20 5 GHBDMM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000745941756 869883594 /nfs/dbraw/zinc/88/35/94/869883594.db2.gz XGRVXEBQQIEKOX-UHFFFAOYSA-N -1 1 390.845 3.588 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(c3ccc(F)c(Cl)c3)C2)s1 ZINC000462791203 870086118 /nfs/dbraw/zinc/08/61/18/870086118.db2.gz QZILIZLUSJEZLD-UHFFFAOYSA-N -1 1 390.845 3.673 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446621613 870107489 /nfs/dbraw/zinc/10/74/89/870107489.db2.gz CPJCLWKREJIMTN-UHFFFAOYSA-N -1 1 398.462 3.761 20 5 GHBDMM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168922299 871012490 /nfs/dbraw/zinc/01/24/90/871012490.db2.gz LGAROIWBPTZFGK-UHFFFAOYSA-N -1 1 386.795 3.711 20 5 GHBDMM COC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000447199045 871201950 /nfs/dbraw/zinc/20/19/50/871201950.db2.gz JSICMHMPLQOUKE-UHFFFAOYSA-N -1 1 391.224 3.519 20 5 GHBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sccc2C(=O)c2ccc(C)cc2)n1 ZINC000448454260 873448046 /nfs/dbraw/zinc/44/80/46/873448046.db2.gz ISKGCKKQEQWQSL-UHFFFAOYSA-N -1 1 384.417 3.664 20 5 GHBDMM O=C([O-])c1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000237993730 882853365 /nfs/dbraw/zinc/85/33/65/882853365.db2.gz ADHCUQJWWXDVJR-UHFFFAOYSA-N -1 1 392.327 3.682 20 5 GHBDMM O=C([O-])c1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000237993502 882853491 /nfs/dbraw/zinc/85/34/91/882853491.db2.gz VLAHJHZIZOTIHZ-UHFFFAOYSA-N -1 1 380.360 3.689 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000551008317 883039119 /nfs/dbraw/zinc/03/91/19/883039119.db2.gz WIVNPJHJJNMUCE-UHFFFAOYSA-N -1 1 392.380 3.643 20 5 GHBDMM O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001183695508 912735365 /nfs/dbraw/zinc/73/53/65/912735365.db2.gz XCAIQFDFRDRLOF-GXTWGEPZSA-N -1 1 375.812 3.805 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c2cccnc12 ZINC000536571827 887212197 /nfs/dbraw/zinc/21/21/97/887212197.db2.gz QCNZIVRHRBEDPZ-UHFFFAOYSA-N -1 1 393.808 3.611 20 5 GHBDMM CSCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834058 887854181 /nfs/dbraw/zinc/85/41/81/887854181.db2.gz WQQHDCSGTGPMKK-UHFFFAOYSA-N -1 1 387.310 3.713 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nccs1 ZINC000809818701 887873280 /nfs/dbraw/zinc/87/32/80/887873280.db2.gz OWPUGZPHJWVNFI-SECBINFHSA-N -1 1 396.277 3.788 20 5 GHBDMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)s1 ZINC000809823605 887876904 /nfs/dbraw/zinc/87/69/04/887876904.db2.gz QDLFCWIZFHPJFY-ZETCQYMHSA-N -1 1 396.277 3.706 20 5 GHBDMM COc1cccc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c1[N+](=O)[O-] ZINC000194319584 888236455 /nfs/dbraw/zinc/23/64/55/888236455.db2.gz GJQLEDGPDRAUGV-UHFFFAOYSA-N -1 1 384.417 3.606 20 5 GHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(C(C)C)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000532853067 889087325 /nfs/dbraw/zinc/08/73/25/889087325.db2.gz BJNAGKVWDOBLKP-QGZVFWFLSA-N -1 1 394.497 3.610 20 5 GHBDMM CC1(c2nsc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Br)n2)CC1 ZINC000875883902 892856447 /nfs/dbraw/zinc/85/64/47/892856447.db2.gz NSCJUVVSRRHRHB-UHFFFAOYSA-N -1 1 383.227 3.513 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000918191185 893334892 /nfs/dbraw/zinc/33/48/92/893334892.db2.gz MXSKKTJWFSKSJZ-HNNXBMFYSA-N -1 1 384.816 3.817 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000047312920 901796456 /nfs/dbraw/zinc/79/64/56/901796456.db2.gz ZEXASMHRJDEKHL-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000780069245 921547593 /nfs/dbraw/zinc/54/75/93/921547593.db2.gz PZQVAFJPSKFQHW-VIFPVBQESA-N -1 1 389.751 3.922 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C12CCC(C(F)(F)F)(CC1)CC2 ZINC000795593170 911384847 /nfs/dbraw/zinc/38/48/47/911384847.db2.gz GWYSZWNXYKPZOL-UHFFFAOYSA-N -1 1 396.362 3.668 20 5 GHBDMM COc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001187882303 915603676 /nfs/dbraw/zinc/60/36/76/915603676.db2.gz AFOATWKDAXJWFJ-OAHLLOKOSA-N -1 1 396.440 3.808 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1C ZINC000007323938 919062695 /nfs/dbraw/zinc/06/26/95/919062695.db2.gz VWWCFMOKXREJKX-UHFFFAOYSA-N -1 1 375.450 3.613 20 5 GHBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1[N+](=O)[O-] ZINC000800844757 920521186 /nfs/dbraw/zinc/52/11/86/920521186.db2.gz KAPRMCPJYCOVQU-UHFFFAOYSA-N -1 1 394.302 3.584 20 5 GHBDMM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748619115 923748213 /nfs/dbraw/zinc/74/82/13/923748213.db2.gz SVYQGIOMANJFIZ-UHFFFAOYSA-N -1 1 396.262 3.559 20 5 GHBDMM CCc1cc2c(COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc(=O)oc2cc1[O-] ZINC000010760287 924370314 /nfs/dbraw/zinc/37/03/14/924370314.db2.gz BWHYXRBNRBDBAW-VMPITWQZSA-N -1 1 395.367 3.726 20 5 GHBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(Br)ccc1[O-] ZINC000010900081 924449511 /nfs/dbraw/zinc/44/95/11/924449511.db2.gz AUIYIWKPEXCDQC-UHFFFAOYSA-N -1 1 399.628 3.989 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000544638249 929374304 /nfs/dbraw/zinc/37/43/04/929374304.db2.gz NGSPFABTPZHKCR-UHFFFAOYSA-N -1 1 388.449 3.943 20 5 GHBDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753521254 929387572 /nfs/dbraw/zinc/38/75/72/929387572.db2.gz KLFHUPXVMITNEA-UHFFFAOYSA-N -1 1 398.824 3.672 20 5 GHBDMM O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000467853269 929509720 /nfs/dbraw/zinc/50/97/20/929509720.db2.gz RHDTZZDPCCSLQW-HOMQSWHASA-N -1 1 382.203 3.678 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000469879550 930231319 /nfs/dbraw/zinc/23/13/19/930231319.db2.gz JRRUJLVIVIHDIG-UHFFFAOYSA-N -1 1 388.380 3.822 20 5 GHBDMM CCc1cc2c(COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc(=O)oc2cc1[O-] ZINC000798129924 932541426 /nfs/dbraw/zinc/54/14/26/932541426.db2.gz BWHYXRBNRBDBAW-YVMONPNESA-N -1 1 395.367 3.726 20 5 GHBDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001589467264 986925174 /nfs/dbraw/zinc/92/51/74/986925174.db2.gz BYBQEZDTYFUOQE-ZBEGNZNMSA-N -1 1 393.237 3.909 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CC(OCc2ccccc2)C1 ZINC001228859080 1033140490 /nfs/dbraw/zinc/14/04/90/1033140490.db2.gz IKYSEGABIZUCAL-UHFFFAOYSA-N -1 1 384.310 3.841 20 5 GHBDMM CCCCc1cnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc1 ZINC000839435276 1025924226 /nfs/dbraw/zinc/92/42/26/1025924226.db2.gz VRCQQLJLTNKRCD-UHFFFAOYSA-N -1 1 385.243 3.804 20 5 GHBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(F)c1[O-] ZINC001151771359 1030995273 /nfs/dbraw/zinc/99/52/73/1030995273.db2.gz HTVLVQWRXJCKBT-UHFFFAOYSA-N -1 1 387.289 3.899 20 5 GHBDMM Cc1nc(O[C@H]2CCCc3c(Br)cccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380202 1033449516 /nfs/dbraw/zinc/44/95/16/1033449516.db2.gz ZLZHXJWNKCQSDG-LBPRGKRZSA-N -1 1 380.198 3.618 20 5 GHBDMM CCOC(=O)N1CCC(Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)CC1 ZINC001229517654 1033533888 /nfs/dbraw/zinc/53/38/88/1033533888.db2.gz OCKNCORIBKOUPY-UHFFFAOYSA-N -1 1 383.400 3.652 20 5 GHBDMM Cc1cn2c(n1)[C@@H](Oc1cc3c4ccc([O-])cc4oc(=O)c3cc1O)CCC2 ZINC001229804832 1033729513 /nfs/dbraw/zinc/72/95/13/1033729513.db2.gz FMVCZCXPAMTQQV-KRWDZBQOSA-N -1 1 378.384 3.776 20 5 GHBDMM CC(C)CCOC(=O)[C@@H](C)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229804763 1033730288 /nfs/dbraw/zinc/73/02/88/1033730288.db2.gz CYPQLPSIYCLWIV-GFCCVEGCSA-N -1 1 386.400 3.714 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)c(O)cc12 ZINC001229806086 1033731304 /nfs/dbraw/zinc/73/13/04/1033731304.db2.gz RZFBPMYZWPBGRX-RCDICMHDSA-N -1 1 398.411 3.812 20 5 GHBDMM Cc1cccc(Oc2ccccc2C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001209405009 1035270257 /nfs/dbraw/zinc/27/02/57/1035270257.db2.gz JZIOAFJBBCMHEN-UHFFFAOYSA-N -1 1 399.428 3.569 20 5 GHBDMM C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ncccc1F ZINC001234125427 1039870831 /nfs/dbraw/zinc/87/08/31/1039870831.db2.gz QWCOQBQJHNCFTQ-SECBINFHSA-N -1 1 383.331 3.737 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)c12 ZINC001234748539 1040275444 /nfs/dbraw/zinc/27/54/44/1040275444.db2.gz SIYADOPEEHEENC-OYHNWAKOSA-N -1 1 398.411 3.812 20 5 GHBDMM O=c1c2ccc(O)c(O[C@H](c3cccnc3)C3CC3)c2oc2cc([O-])cc(O)c12 ZINC001234750201 1040276758 /nfs/dbraw/zinc/27/67/58/1040276758.db2.gz HLDXGSMJGGZLAK-FQEVSTJZSA-N -1 1 391.379 3.988 20 5 GHBDMM O=c1c2ccc(O)c(O[C@H]3CCOc4ccccc43)c2oc2cc([O-])cc(O)c12 ZINC001234750740 1040278461 /nfs/dbraw/zinc/27/84/61/1040278461.db2.gz NXQJTVQIMYOAQE-KRWDZBQOSA-N -1 1 392.363 3.966 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CC=C(OC)CC4)cc3c(=O)c12 ZINC001234795495 1040326772 /nfs/dbraw/zinc/32/67/72/1040326772.db2.gz FPLAIEYSEQGAFS-ZDUSSCGKSA-N -1 1 384.384 3.828 20 5 GHBDMM COC(=O)c1ccc([C@@H](C)Oc2c([O-])cc(Br)cc2[N+](=O)[O-])cc1 ZINC001234882276 1040396924 /nfs/dbraw/zinc/39/69/24/1040396924.db2.gz WBUDTNBPVJCHSU-SECBINFHSA-N -1 1 396.193 3.990 20 5 GHBDMM O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306826125 1048917512 /nfs/dbraw/zinc/91/75/12/1048917512.db2.gz OIDPBJRYRVMXHA-IBGZPJMESA-N -1 1 375.384 3.780 20 5 GHBDMM O=C([N-]Cc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)c1ccc(Cl)cc1 ZINC001452384456 1060929334 /nfs/dbraw/zinc/92/93/34/1060929334.db2.gz NPFKHPFNQWBLCF-UHFFFAOYSA-N -1 1 376.693 3.935 20 5 GHBDMM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001454278164 1061693316 /nfs/dbraw/zinc/69/33/16/1061693316.db2.gz DKAXKODVPBWCIF-UHFFFAOYSA-N -1 1 386.795 3.711 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c(Cl)cc1Cl ZINC001463635282 1064516366 /nfs/dbraw/zinc/51/63/66/1064516366.db2.gz RUGMXSIJDIEHCL-ZWNOBZJWSA-N -1 1 387.244 3.736 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F ZINC001464355206 1064968347 /nfs/dbraw/zinc/96/83/47/1064968347.db2.gz ZLWJUAYAIKHNKW-CYBMUJFWSA-N -1 1 376.768 3.533 20 5 GHBDMM O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001464461140 1065024477 /nfs/dbraw/zinc/02/44/77/1065024477.db2.gz OIXGYSCBRHOPSY-UHFFFAOYSA-N -1 1 375.812 3.591 20 5 GHBDMM CC(C)(C)OC(=O)CC[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC001471880477 1073241164 /nfs/dbraw/zinc/24/11/64/1073241164.db2.gz TZHPYVXKVZYKML-AWEZNQCLSA-N -1 1 399.447 3.864 20 5 GHBDMM CCOC(=O)c1ccnc([N-]c2cnn(CCC(C)C)c2CC)c1[N+](=O)[O-] ZINC001472756797 1073652776 /nfs/dbraw/zinc/65/27/76/1073652776.db2.gz WKATYNQBAWLNLM-UHFFFAOYSA-N -1 1 375.429 3.715 20 5 GHBDMM CCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001546246866 1079410847 /nfs/dbraw/zinc/41/08/47/1079410847.db2.gz ZMYQPIRBZGWBJJ-ZDUSSCGKSA-N -1 1 383.326 3.985 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Sc3ccncc3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373379 598501248 /nfs/dbraw/zinc/50/12/48/598501248.db2.gz BLJCQLYRKSHNPZ-UHFFFAOYSA-N -1 1 393.388 3.508 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2ccc(Sc3ccncc3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373379 598501250 /nfs/dbraw/zinc/50/12/50/598501250.db2.gz BLJCQLYRKSHNPZ-UHFFFAOYSA-N -1 1 393.388 3.508 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000583817190 835084037 /nfs/dbraw/zinc/08/40/37/835084037.db2.gz BAQPNNXCEBQOSO-XOBRGWDASA-N -1 1 394.468 3.715 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000187174837 835734012 /nfs/dbraw/zinc/73/40/12/835734012.db2.gz OBIBMSLNXKPHQQ-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([O-])ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000376141748 837016694 /nfs/dbraw/zinc/01/66/94/837016694.db2.gz DSKKTRMPWMYIAN-ZDUSSCGKSA-N -1 1 380.404 3.505 20 5 GHBDMM CCc1cc2c(COC(=O)c3cc([N+](=O)[O-])ccc3C)cc(=O)oc2cc1[O-] ZINC000728333303 841317813 /nfs/dbraw/zinc/31/78/13/841317813.db2.gz PKKGBICIVJCCHZ-UHFFFAOYSA-N -1 1 383.356 3.635 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000500101256 841439184 /nfs/dbraw/zinc/43/91/84/841439184.db2.gz GZFCJGYLKVMPJR-SNVBAGLBSA-N -1 1 393.273 3.929 20 5 GHBDMM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000131428444 861385821 /nfs/dbraw/zinc/38/58/21/861385821.db2.gz MAXDNHFHVFAAJB-UHFFFAOYSA-N -1 1 380.404 3.505 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000388484137 846617315 /nfs/dbraw/zinc/61/73/15/846617315.db2.gz BSMKCDRPDXGBMO-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000478636228 847169723 /nfs/dbraw/zinc/16/97/23/847169723.db2.gz ZZFVUUUJVZFXCK-UHFFFAOYSA-N -1 1 395.371 3.541 20 5 GHBDMM CN1c2ccc(Br)cc2N(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1(C)C ZINC000473554021 847813997 /nfs/dbraw/zinc/81/39/97/847813997.db2.gz PVWXNIMBOYMTGF-UHFFFAOYSA-N -1 1 393.241 3.561 20 5 GHBDMM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000488295699 851368911 /nfs/dbraw/zinc/36/89/11/851368911.db2.gz NTULJUUOQYTFEP-UHFFFAOYSA-N -1 1 398.412 3.641 20 5 GHBDMM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729486543 854097527 /nfs/dbraw/zinc/09/75/27/854097527.db2.gz GFENTRGZAYAZHC-UHFFFAOYSA-N -1 1 398.868 3.556 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000481951155 862544513 /nfs/dbraw/zinc/54/45/13/862544513.db2.gz GHWAVYKRGOBBQI-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM C[C@H]1SCC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000591997482 856563870 /nfs/dbraw/zinc/56/38/70/856563870.db2.gz DDHLFSTYSGSXTC-DOMZBBRYSA-N -1 1 393.490 3.702 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]nc1C(C)C ZINC000592385239 856828214 /nfs/dbraw/zinc/82/82/14/856828214.db2.gz WDPHYQQTWASODT-UHFFFAOYSA-N -1 1 392.359 3.569 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(Cl)c1 ZINC000442234196 857660285 /nfs/dbraw/zinc/66/02/85/857660285.db2.gz HDFVKGZTKKGEOK-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](C)C2 ZINC001212500051 858204685 /nfs/dbraw/zinc/20/46/85/858204685.db2.gz MZJAKSSBCIYBOK-QGHHPUGFSA-N -1 1 398.843 3.908 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000059233745 858239942 /nfs/dbraw/zinc/23/99/42/858239942.db2.gz UTQDVYXIPWMUCB-UHFFFAOYSA-N -1 1 394.412 3.939 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1C ZINC000191228235 858674368 /nfs/dbraw/zinc/67/43/68/858674368.db2.gz GYTVCJZVUQBIBP-UHFFFAOYSA-N -1 1 394.836 3.795 20 5 GHBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]c(C)c1Br ZINC000597731789 859776651 /nfs/dbraw/zinc/77/66/51/859776651.db2.gz ORWVFOOCTJNECZ-UHFFFAOYSA-N -1 1 399.270 3.565 20 5 GHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1sc(N2CCCC2)nc1Cl ZINC000728164046 860408906 /nfs/dbraw/zinc/40/89/06/860408906.db2.gz LFTBIJHONBTRCH-UHFFFAOYSA-N -1 1 388.783 3.835 20 5 GHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)n1 ZINC000603624475 860924934 /nfs/dbraw/zinc/92/49/34/860924934.db2.gz UZMYIVDRMZAAKS-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000740924057 866110039 /nfs/dbraw/zinc/11/00/39/866110039.db2.gz ODBJUEOVPRXLEB-UHFFFAOYSA-N -1 1 387.392 3.577 20 5 GHBDMM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444978004 867554675 /nfs/dbraw/zinc/55/46/75/867554675.db2.gz VBYPHJOGRZTFTR-MRVPVSSYSA-N -1 1 382.203 3.762 20 5 GHBDMM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445009435 867637880 /nfs/dbraw/zinc/63/78/80/867637880.db2.gz RRSYVAWMUSVQDF-ZDUSSCGKSA-N -1 1 393.399 3.862 20 5 GHBDMM CCOc1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)cc(Cl)c1[O-] ZINC000445413988 868415531 /nfs/dbraw/zinc/41/55/31/868415531.db2.gz XEVQEYXGFGILBQ-UHFFFAOYSA-N -1 1 391.767 3.982 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(Br)c1 ZINC000445461270 868498625 /nfs/dbraw/zinc/49/86/25/868498625.db2.gz XANSSMHPNAWBNC-UHFFFAOYSA-N -1 1 380.129 3.919 20 5 GHBDMM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480410941 869991196 /nfs/dbraw/zinc/99/11/96/869991196.db2.gz BKXPVVLYKLKJPX-UHFFFAOYSA-N -1 1 393.852 3.527 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(OC)c1 ZINC000463785078 872596581 /nfs/dbraw/zinc/59/65/81/872596581.db2.gz DMIKYZYDFBCUTQ-UHFFFAOYSA-N -1 1 394.449 3.754 20 5 GHBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1OC(C)C ZINC000463803342 872613926 /nfs/dbraw/zinc/61/39/26/872613926.db2.gz WKUJHEUKUPZBMN-UHFFFAOYSA-N -1 1 394.449 3.808 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000768811196 873567542 /nfs/dbraw/zinc/56/75/42/873567542.db2.gz HCYWYFUVQIMLJL-MRVPVSSYSA-N -1 1 380.369 3.715 20 5 GHBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000771159142 875057311 /nfs/dbraw/zinc/05/73/11/875057311.db2.gz LJXPFYPIFLMRIK-UHFFFAOYSA-N -1 1 382.825 3.950 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1[N+](=O)[O-] ZINC000491843040 875984280 /nfs/dbraw/zinc/98/42/80/875984280.db2.gz FFAUARBJTIMYQH-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000030530388 876204129 /nfs/dbraw/zinc/20/41/29/876204129.db2.gz WKUCTTTZXAYPOP-UHFFFAOYSA-N -1 1 380.422 3.501 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC001212269190 877793336 /nfs/dbraw/zinc/79/33/36/877793336.db2.gz JBSVHDHEEDQWSE-UHFFFAOYSA-N -1 1 384.816 3.745 20 5 GHBDMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421417 880377394 /nfs/dbraw/zinc/37/73/94/880377394.db2.gz LPZCJGFNESFTMX-MRVPVSSYSA-N -1 1 395.289 3.873 20 5 GHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc4ccccc4o3)[nH]n2)c1 ZINC000153195337 883715930 /nfs/dbraw/zinc/71/59/30/883715930.db2.gz WKJMOJHBILSYOQ-UHFFFAOYSA-N -1 1 384.373 3.532 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000811674852 889860372 /nfs/dbraw/zinc/86/03/72/889860372.db2.gz BPTJZVOQADPQLZ-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1C ZINC000811832122 890017190 /nfs/dbraw/zinc/01/71/90/890017190.db2.gz LNSUNRJZUCSTMX-UHFFFAOYSA-N -1 1 385.785 3.574 20 5 GHBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1[N+](=O)[O-] ZINC000124921494 892072577 /nfs/dbraw/zinc/07/25/77/892072577.db2.gz IFRPKEOTDUUTOC-UHFFFAOYSA-N -1 1 385.392 3.803 20 5 GHBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1cccnc1 ZINC000497745705 892352701 /nfs/dbraw/zinc/35/27/01/892352701.db2.gz JFBVNZVZDSXOCB-AWEZNQCLSA-N -1 1 398.444 3.964 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000536702215 893579107 /nfs/dbraw/zinc/57/91/07/893579107.db2.gz DAUTYUGINVQXJS-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1F ZINC000760342723 895229745 /nfs/dbraw/zinc/22/97/45/895229745.db2.gz OKWSBCXEJSXZAA-UHFFFAOYSA-N -1 1 386.376 3.769 20 5 GHBDMM O=C([O-])c1ccnc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000566800398 896581213 /nfs/dbraw/zinc/58/12/13/896581213.db2.gz YKGUIHPUJOBVBC-HNNXBMFYSA-N -1 1 390.827 3.590 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000132292473 897745831 /nfs/dbraw/zinc/74/58/31/897745831.db2.gz PKOWRQROJFVAHK-UHFFFAOYSA-N -1 1 397.403 3.582 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000571783839 899971255 /nfs/dbraw/zinc/97/12/55/899971255.db2.gz NFYSVZZDLVYEBM-UHFFFAOYSA-N -1 1 386.376 3.602 20 5 GHBDMM CC(C)n1c(C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068435815 901088597 /nfs/dbraw/zinc/08/85/97/901088597.db2.gz QGNYAQYDJAAJOI-UHFFFAOYSA-N -1 1 393.444 3.589 20 5 GHBDMM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000773199211 904561083 /nfs/dbraw/zinc/56/10/83/904561083.db2.gz PXVWBKDAKHOODB-UHFFFAOYSA-N -1 1 388.376 3.891 20 5 GHBDMM COCCCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000795226306 909373065 /nfs/dbraw/zinc/37/30/65/909373065.db2.gz UOPCAALOYOCCFV-INIZCTEOSA-N -1 1 396.440 3.570 20 5 GHBDMM CCCc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)s1 ZINC000267909399 909689220 /nfs/dbraw/zinc/68/92/20/909689220.db2.gz DBPZRIRKWUYLLL-UHFFFAOYSA-N -1 1 389.206 3.553 20 5 GHBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000092786116 911804046 /nfs/dbraw/zinc/80/40/46/911804046.db2.gz PQDCKCQTFOLQBC-AWEZNQCLSA-N -1 1 398.394 3.869 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000780076414 921758125 /nfs/dbraw/zinc/75/81/25/921758125.db2.gz QFCVICNXOYAIDL-SECBINFHSA-N -1 1 398.293 3.503 20 5 GHBDMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001187874788 915600880 /nfs/dbraw/zinc/60/08/80/915600880.db2.gz HBYJHKVARVIVTH-AAEUAGOBSA-N -1 1 396.893 3.730 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)s1 ZINC000775202768 916224213 /nfs/dbraw/zinc/22/42/13/916224213.db2.gz XWKDZXGNAADXLH-UHFFFAOYSA-N -1 1 377.241 3.528 20 5 GHBDMM CC(C)c1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC001189358429 916596429 /nfs/dbraw/zinc/59/64/29/916596429.db2.gz DXFCTIGBPMNOMY-UHFFFAOYSA-N -1 1 386.832 3.989 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC001189569532 916744372 /nfs/dbraw/zinc/74/43/72/916744372.db2.gz DQYKNUQWBXZWKZ-UHFFFAOYSA-N -1 1 380.853 3.720 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1C ZINC000007323331 919062494 /nfs/dbraw/zinc/06/24/94/919062494.db2.gz NXXQMGQFKNLIGY-UHFFFAOYSA-N -1 1 390.339 3.911 20 5 GHBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000725820017 926457496 /nfs/dbraw/zinc/45/74/96/926457496.db2.gz IUBUBCAQNILTPQ-QGZVFWFLSA-N -1 1 380.853 3.986 20 5 GHBDMM CCOc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000547257786 930851296 /nfs/dbraw/zinc/85/12/96/930851296.db2.gz VBYOWICCDMDIPI-UHFFFAOYSA-N -1 1 399.230 3.978 20 5 GHBDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000783837720 931685229 /nfs/dbraw/zinc/68/52/29/931685229.db2.gz ODNMZYYCWQONQG-UHFFFAOYSA-N -1 1 398.824 3.618 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000797840871 932426966 /nfs/dbraw/zinc/42/69/66/932426966.db2.gz RBPVLBIENCHJMA-YEORSEQZSA-N -1 1 384.816 3.612 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC001116492432 933590343 /nfs/dbraw/zinc/59/03/43/933590343.db2.gz AHTKEJUSQXCCOG-UHFFFAOYSA-N -1 1 399.428 3.767 20 5 GHBDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001119602732 934372502 /nfs/dbraw/zinc/37/25/02/934372502.db2.gz WBIORUFXMFNKEO-OLZOCXBDSA-N -1 1 398.337 3.940 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC001589458865 954856154 /nfs/dbraw/zinc/85/61/54/954856154.db2.gz OAJSNVKTBWVOBE-SQWLQELKSA-N -1 1 394.468 3.571 20 5 GHBDMM C[C@@](NCc1ccc(F)c(Br)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593299758 994724279 /nfs/dbraw/zinc/72/42/79/994724279.db2.gz VKFJKVJFGFSPPN-INIZCTEOSA-N -1 1 397.200 3.586 20 5 GHBDMM CCOC(=O)[C@@H](Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-])C1CC1 ZINC001227702136 1032522847 /nfs/dbraw/zinc/52/28/47/1032522847.db2.gz MSSXGRDVMPNNER-IBGZPJMESA-N -1 1 399.399 3.560 20 5 GHBDMM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000778058931 1018102823 /nfs/dbraw/zinc/10/28/23/1018102823.db2.gz QBLRDTDBTPSFFN-UKRRQHHQSA-N -1 1 390.889 3.510 20 5 GHBDMM CCOC(=O)c1c([N-]c2cnc(OC)c([N+](=O)[O-])c2)onc1-c1ccccc1 ZINC001210136202 1027352822 /nfs/dbraw/zinc/35/28/22/1027352822.db2.gz HGBKARZLVDJOJX-UHFFFAOYSA-N -1 1 384.348 3.574 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)c2ccc(F)c(F)c2)cc1F ZINC001210425415 1027504532 /nfs/dbraw/zinc/50/45/32/1027504532.db2.gz JERCDXKRHWJLAM-UHFFFAOYSA-N -1 1 388.367 3.534 20 5 GHBDMM COC(=O)c1nc(Cl)c(Cl)nc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215285720 1029131908 /nfs/dbraw/zinc/13/19/08/1029131908.db2.gz WGGSRYVIMSRQIB-UHFFFAOYSA-N -1 1 379.106 3.500 20 5 GHBDMM O=C(Nc1nc(Br)ccc1[O-])c1cccc2nc3ccccc3nc21 ZINC001153863543 1031778189 /nfs/dbraw/zinc/77/81/89/1031778189.db2.gz ROUYHPOHASDTQM-UHFFFAOYSA-N -1 1 395.216 3.898 20 5 GHBDMM Cc1nc(O[C@H](c2ccccc2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382948 1033450694 /nfs/dbraw/zinc/45/06/94/1033450694.db2.gz XUXOKQZHZFJCIP-SNVBAGLBSA-N -1 1 378.599 3.889 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001229754061 1033688986 /nfs/dbraw/zinc/68/89/86/1033688986.db2.gz LNHLLWNSHADYBS-XJKCOSOUSA-N -1 1 378.425 3.633 20 5 GHBDMM COC(=O)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1ccc(F)cc1 ZINC001233496848 1039392266 /nfs/dbraw/zinc/39/22/66/1039392266.db2.gz BIDVRJCKFLGBFT-CQSZACIVSA-N -1 1 379.731 3.557 20 5 GHBDMM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ccc(F)cc1 ZINC001233496848 1039392275 /nfs/dbraw/zinc/39/22/75/1039392275.db2.gz BIDVRJCKFLGBFT-CQSZACIVSA-N -1 1 379.731 3.557 20 5 GHBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1 ZINC001233942447 1039716839 /nfs/dbraw/zinc/71/68/39/1039716839.db2.gz XPUKQFCAAPSXQI-CQSZACIVSA-N -1 1 395.415 3.698 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@@H]3COc4ccccc4O3)c12 ZINC001234748617 1040274220 /nfs/dbraw/zinc/27/42/20/1040274220.db2.gz UIONNDZELHZXGJ-ZDUSSCGKSA-N -1 1 392.363 3.576 20 5 GHBDMM CCOC(=O)[C@H]1CC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])CC1 ZINC001234876798 1040391257 /nfs/dbraw/zinc/39/12/57/1040391257.db2.gz KKMWUGNCRZPULR-HOMQSWHASA-N -1 1 388.214 3.564 20 5 GHBDMM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309439491 1050720536 /nfs/dbraw/zinc/72/05/36/1050720536.db2.gz PJBFVWCVTBQVSI-UHFFFAOYSA-N -1 1 398.868 3.522 20 5 GHBDMM Cc1ccccc1C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC001309643010 1050890476 /nfs/dbraw/zinc/89/04/76/1050890476.db2.gz OBBPDHTYVYOHJM-UHFFFAOYSA-N -1 1 380.853 3.914 20 5 GHBDMM O=C(c1ccc2ccc(O)cc2c1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001445658331 1059589273 /nfs/dbraw/zinc/58/92/73/1059589273.db2.gz UZJBXWBHBPNRDU-UHFFFAOYSA-N -1 1 378.384 3.964 20 5 GHBDMM CCn1cc(Cl)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC001439379473 1064235667 /nfs/dbraw/zinc/23/56/67/1064235667.db2.gz CSEHMTQZHBOZEA-UHFFFAOYSA-N -1 1 379.623 3.541 20 5 GHBDMM Cc1ccc2oc(C[N-]S(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3F)cc2c1 ZINC001464082974 1064807137 /nfs/dbraw/zinc/80/71/37/1064807137.db2.gz HWUCLWOIPQNCDK-UHFFFAOYSA-N -1 1 378.381 3.575 20 5 GHBDMM O=C(NCCCCCCOc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472547313 1073544101 /nfs/dbraw/zinc/54/41/01/1073544101.db2.gz BYICXGVVHADFJR-UHFFFAOYSA-N -1 1 393.827 3.718 20 5 GHBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001475255812 1074808157 /nfs/dbraw/zinc/80/81/57/1074808157.db2.gz AKTSHGDWVSKZOZ-UHFFFAOYSA-N -1 1 396.877 3.984 20 5 GHBDMM CCC(C)(C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001475565994 1074915829 /nfs/dbraw/zinc/91/58/29/1074915829.db2.gz SVGDTXDZFLHAMJ-UHFFFAOYSA-N -1 1 397.266 3.601 20 5 GHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1F ZINC000071977994 222201477 /nfs/dbraw/zinc/20/14/77/222201477.db2.gz STFFWRHFRFWMFU-UHFFFAOYSA-N -1 1 388.804 3.895 20 5 GHBDMM COc1ccc2cc(CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)ccc2c1 ZINC000826213158 607450615 /nfs/dbraw/zinc/45/06/15/607450615.db2.gz MRQYRDKBDVDCKI-UHFFFAOYSA-N -1 1 376.376 3.549 20 5 GHBDMM COc1ccc2cc(CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)ccc2c1 ZINC000826213158 607450617 /nfs/dbraw/zinc/45/06/17/607450617.db2.gz MRQYRDKBDVDCKI-UHFFFAOYSA-N -1 1 376.376 3.549 20 5 GHBDMM O=[N+]([O-])c1ccc(C(=Cc2ccc(-c3nn[n-]n3)s2)c2ccncc2)cc1 ZINC000823634498 606389712 /nfs/dbraw/zinc/38/97/12/606389712.db2.gz IEFXMDWKORYICC-WJDWOHSUSA-N -1 1 376.401 3.820 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(NCC2CCCC2)cc1 ZINC000823624500 606707512 /nfs/dbraw/zinc/70/75/12/606707512.db2.gz ALKLKKHTLMCMNL-UHFFFAOYSA-N -1 1 380.412 3.516 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(NCC2CCCC2)cc1 ZINC000823624500 606707513 /nfs/dbraw/zinc/70/75/13/606707513.db2.gz ALKLKKHTLMCMNL-UHFFFAOYSA-N -1 1 380.412 3.516 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000581886378 837741884 /nfs/dbraw/zinc/74/18/84/837741884.db2.gz AVJLHFHHQYPSFS-MRXNPFEDSA-N -1 1 390.827 3.590 20 5 GHBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)oc1C ZINC000511289126 835013642 /nfs/dbraw/zinc/01/36/42/835013642.db2.gz NKCGXCLZNKHIOD-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(c4nc(C)cc(C(=O)[O-])c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000582184072 836264099 /nfs/dbraw/zinc/26/40/99/836264099.db2.gz KYYIOKIQBKCCEP-CYBMUJFWSA-N -1 1 395.419 3.565 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c1 ZINC000612600677 836474343 /nfs/dbraw/zinc/47/43/43/836474343.db2.gz YCWVIPJNQYRXKD-UHFFFAOYSA-N -1 1 396.375 3.757 20 5 GHBDMM Cc1ccc(Sc2nsc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)n2)cc1 ZINC000174555174 836483533 /nfs/dbraw/zinc/48/35/33/836483533.db2.gz ZAYHOTIUWVZTSL-UHFFFAOYSA-N -1 1 387.446 3.862 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000431893450 839516893 /nfs/dbraw/zinc/51/68/93/839516893.db2.gz FPVHYEHOTNNCFQ-UHFFFAOYSA-N -1 1 390.795 3.740 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000124401741 840957589 /nfs/dbraw/zinc/95/75/89/840957589.db2.gz DFHGWECMYZQOHI-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000106893334 841136769 /nfs/dbraw/zinc/13/67/69/841136769.db2.gz ARNUAZOOWGKRNU-SECBINFHSA-N -1 1 387.458 3.527 20 5 GHBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000067123969 844784720 /nfs/dbraw/zinc/78/47/20/844784720.db2.gz ZRCOJUDBSOXIEV-UHFFFAOYSA-N -1 1 391.449 3.615 20 5 GHBDMM O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939652 844855815 /nfs/dbraw/zinc/85/58/15/844855815.db2.gz NULYODFGDCSSLP-BQYQJAHWSA-N -1 1 394.751 3.672 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OC(F)F)c1 ZINC000513433154 845428713 /nfs/dbraw/zinc/42/87/13/845428713.db2.gz WPMYIROFFPJCJZ-UHFFFAOYSA-N -1 1 386.376 3.868 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1[O-] ZINC000024101222 845618110 /nfs/dbraw/zinc/61/81/10/845618110.db2.gz XNDRRWKNVIFOJZ-UHFFFAOYSA-N -1 1 386.385 3.894 20 5 GHBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000063181280 846549348 /nfs/dbraw/zinc/54/93/48/846549348.db2.gz VFOCFADBTRAHJH-UHFFFAOYSA-N -1 1 391.449 3.751 20 5 GHBDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000052025378 848772644 /nfs/dbraw/zinc/77/26/44/848772644.db2.gz JXSSWRTVFVFGBU-UHFFFAOYSA-N -1 1 388.804 3.975 20 5 GHBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC001211567118 849118042 /nfs/dbraw/zinc/11/80/42/849118042.db2.gz QHJPOFPEGWEEDH-HNNXBMFYSA-N -1 1 380.441 3.527 20 5 GHBDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)n[nH]2)cc1C ZINC000434966256 849952845 /nfs/dbraw/zinc/95/28/45/849952845.db2.gz JVRUKWJUOGMQBW-UHFFFAOYSA-N -1 1 392.462 3.772 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000434974878 849962965 /nfs/dbraw/zinc/96/29/65/849962965.db2.gz WUPICTZWYSZPIU-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505306871 850817622 /nfs/dbraw/zinc/81/76/22/850817622.db2.gz YBUSULKMKCPOPJ-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000604467695 862210425 /nfs/dbraw/zinc/21/04/25/862210425.db2.gz BDCNMWUGBOVNHP-UHFFFAOYSA-N -1 1 391.449 3.689 20 5 GHBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000515699307 851373716 /nfs/dbraw/zinc/37/37/16/851373716.db2.gz LZGWNEUXWNOZCC-UHFFFAOYSA-N -1 1 380.422 3.501 20 5 GHBDMM Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438805809 852886510 /nfs/dbraw/zinc/88/65/10/852886510.db2.gz CDZRGRJNFAGSEI-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CC[C@H](F)C1 ZINC000588842423 854543089 /nfs/dbraw/zinc/54/30/89/854543089.db2.gz BIQUUHIGBXBFAL-JSGCOSHPSA-N -1 1 379.413 3.698 20 5 GHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1Cl ZINC000481979502 862589729 /nfs/dbraw/zinc/58/97/29/862589729.db2.gz UWYLGBHZOOHQBU-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000165167520 854737305 /nfs/dbraw/zinc/73/73/05/854737305.db2.gz CGVUUKFXZGDLEV-UHFFFAOYSA-N -1 1 397.412 3.731 20 5 GHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589597822 855078246 /nfs/dbraw/zinc/07/82/46/855078246.db2.gz DGGKQNRPFWXYOO-UHFFFAOYSA-N -1 1 386.426 3.655 20 5 GHBDMM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1C ZINC000573040982 855701221 /nfs/dbraw/zinc/70/12/21/855701221.db2.gz YNXAXOGLIDUPGD-UHFFFAOYSA-N -1 1 386.433 3.544 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000536460250 856117473 /nfs/dbraw/zinc/11/74/73/856117473.db2.gz SJVBQIWAMXHWKB-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1scnc1C(F)(F)F ZINC000485744699 857036215 /nfs/dbraw/zinc/03/62/15/857036215.db2.gz QGJJNWJDYVACIF-UHFFFAOYSA-N -1 1 383.254 3.924 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2Cl)CCC1 ZINC001212370869 857351593 /nfs/dbraw/zinc/35/15/93/857351593.db2.gz UIVPOTIBNOIMTO-UHFFFAOYSA-N -1 1 384.816 3.745 20 5 GHBDMM CC(C)Sc1ccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594760879 858275048 /nfs/dbraw/zinc/27/50/48/858275048.db2.gz VKZSWCLKSFCENB-GFCCVEGCSA-N -1 1 381.479 3.530 20 5 GHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1C ZINC000184964758 858760074 /nfs/dbraw/zinc/76/00/74/858760074.db2.gz ZBZDFJLIBQTXHB-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM Cc1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])oc2ccccc12 ZINC000522375293 859251894 /nfs/dbraw/zinc/25/18/94/859251894.db2.gz MQWVMGJPIRUBQV-UHFFFAOYSA-N -1 1 380.809 3.781 20 5 GHBDMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000727671943 860183836 /nfs/dbraw/zinc/18/38/36/860183836.db2.gz XRNPXVCKUMLETG-UHFFFAOYSA-N -1 1 386.882 3.955 20 5 GHBDMM O=c1[n-]c(Oc2ccc(Cl)cc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1 ZINC000301366155 860473349 /nfs/dbraw/zinc/47/33/49/860473349.db2.gz SHSFXXYXLSHGOQ-UHFFFAOYSA-N -1 1 383.751 3.875 20 5 GHBDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OCCC ZINC000603778281 861163373 /nfs/dbraw/zinc/16/33/73/861163373.db2.gz YCGVMKPMSMJCPL-UHFFFAOYSA-N -1 1 394.449 3.973 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1Cl ZINC000184863001 864993455 /nfs/dbraw/zinc/99/34/55/864993455.db2.gz PDWLZNHSZWURBY-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1[N+](=O)[O-] ZINC000742029491 867019064 /nfs/dbraw/zinc/01/90/64/867019064.db2.gz FGEMFNZXIMJCME-UHFFFAOYSA-N -1 1 386.376 3.769 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000539854400 869921521 /nfs/dbraw/zinc/92/15/21/869921521.db2.gz BBTLQDOXFHVOEZ-JTQLQIEISA-N -1 1 382.825 3.681 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000541304696 873327218 /nfs/dbraw/zinc/32/72/18/873327218.db2.gz JVKBJXYQGOGEDA-UHFFFAOYSA-N -1 1 386.376 3.769 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000768794496 873584748 /nfs/dbraw/zinc/58/47/48/873584748.db2.gz QDNRZCVQTAHQTF-QMMMGPOBSA-N -1 1 380.369 3.715 20 5 GHBDMM COc1c(C)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C ZINC000769630502 874176651 /nfs/dbraw/zinc/17/66/51/874176651.db2.gz KDJAIOVQDOUZAM-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1C ZINC000461207761 879350893 /nfs/dbraw/zinc/35/08/93/879350893.db2.gz DRDMZXZDMAVDGC-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000475831956 884815281 /nfs/dbraw/zinc/81/52/81/884815281.db2.gz OMJHTQUWZFYUOV-UHFFFAOYSA-N -1 1 398.824 3.650 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000761886823 884924526 /nfs/dbraw/zinc/92/45/26/884924526.db2.gz JSRYBDBIGPSSCS-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(F)c2)c1Cl ZINC000809391234 887365242 /nfs/dbraw/zinc/36/52/42/887365242.db2.gz RBRBQWHUSNPBIE-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(Cl)cc1Cl ZINC000809809390 887819628 /nfs/dbraw/zinc/81/96/28/887819628.db2.gz OUVYVXNZKYRJCO-JTQLQIEISA-N -1 1 387.244 3.520 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)cc1Cl ZINC000809817967 887873383 /nfs/dbraw/zinc/87/33/83/887873383.db2.gz VKMOVCVKIXQNMH-LLVKDONJSA-N -1 1 388.829 3.513 20 5 GHBDMM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000774909155 914005286 /nfs/dbraw/zinc/00/52/86/914005286.db2.gz IZVLFZATRLTWBR-UHFFFAOYSA-N -1 1 390.889 3.514 20 5 GHBDMM CC1(C)CC[C@H]2C[C@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801366 899816308 /nfs/dbraw/zinc/81/63/08/899816308.db2.gz DXMUFQNTRXOXJY-NHYWBVRUSA-N -1 1 391.435 3.882 20 5 GHBDMM CC1(C)CC[C@H]2C[C@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801366 899816315 /nfs/dbraw/zinc/81/63/15/899816315.db2.gz DXMUFQNTRXOXJY-NHYWBVRUSA-N -1 1 391.435 3.882 20 5 GHBDMM COCCCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000795226308 909373363 /nfs/dbraw/zinc/37/33/63/909373363.db2.gz UOPCAALOYOCCFV-MRXNPFEDSA-N -1 1 396.440 3.570 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2cc3ccccc3o2)cc1Cl ZINC001187155421 915066440 /nfs/dbraw/zinc/06/64/40/915066440.db2.gz BUBVQUQCQDCELJ-UHFFFAOYSA-N -1 1 398.799 3.655 20 5 GHBDMM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC001189041144 916362108 /nfs/dbraw/zinc/36/21/08/916362108.db2.gz ORVMBXRLLKYKAX-SNVBAGLBSA-N -1 1 389.260 3.984 20 5 GHBDMM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000752050379 928570949 /nfs/dbraw/zinc/57/09/49/928570949.db2.gz JZMRBNUHUDJLHD-LBPRGKRZSA-N -1 1 384.454 3.583 20 5 GHBDMM CCc1sc(-c2nnc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)o2)cc1C ZINC000784212629 931817775 /nfs/dbraw/zinc/81/77/75/931817775.db2.gz BLVRKHGJNXVKLT-UHFFFAOYSA-N -1 1 389.389 3.640 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1Cl ZINC000798246667 932575501 /nfs/dbraw/zinc/57/55/01/932575501.db2.gz HELAMTIFFQYXBX-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC001589467262 986925360 /nfs/dbraw/zinc/92/53/60/986925360.db2.gz BYBQEZDTYFUOQE-BZNIZROVSA-N -1 1 393.237 3.909 20 5 GHBDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227307716 1032365686 /nfs/dbraw/zinc/36/56/86/1032365686.db2.gz YVXLKBBVXFTILI-NSHDSACASA-N -1 1 386.400 3.857 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC001213359922 1028134888 /nfs/dbraw/zinc/13/48/88/1028134888.db2.gz KDYFXNOWQUSNDJ-COLVAYQJSA-N -1 1 399.255 3.518 20 5 GHBDMM O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cc(F)ccc1[O-] ZINC001142285176 1028580323 /nfs/dbraw/zinc/58/03/23/1028580323.db2.gz TZSRLWKYRGJREJ-ZDUSSCGKSA-N -1 1 376.237 3.612 20 5 GHBDMM Cc1ccc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c([N+](=O)[O-])c1[O-] ZINC001216858936 1029967187 /nfs/dbraw/zinc/96/71/87/1029967187.db2.gz LVQWBOUXZKXRNJ-XYOKQWHBSA-N -1 1 393.403 3.787 20 5 GHBDMM O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc([O-])c(Cl)c1 ZINC001154101380 1031927098 /nfs/dbraw/zinc/92/70/98/1031927098.db2.gz JTPBVFCLKOUQSO-UHFFFAOYSA-N -1 1 392.842 3.830 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC001229749551 1033684803 /nfs/dbraw/zinc/68/48/03/1033684803.db2.gz DDKRMCZBGNVDDR-UMVBOHGHSA-N -1 1 378.425 3.776 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] ZINC001229754875 1033690073 /nfs/dbraw/zinc/69/00/73/1033690073.db2.gz UKANJTQVVWOVFB-CQSZACIVSA-N -1 1 388.367 3.632 20 5 GHBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233498292 1039392921 /nfs/dbraw/zinc/39/29/21/1039392921.db2.gz LLRZACMIOGOBCB-VIFPVBQESA-N -1 1 396.831 3.759 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3CC[C@@]4(CCCCO4)O3)c12 ZINC001234741666 1040268581 /nfs/dbraw/zinc/26/85/81/1040268581.db2.gz KQDIVSJWGPIOOO-JLCFBVMHSA-N -1 1 398.411 3.812 20 5 GHBDMM CC(=O)[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ccccc1 ZINC001234749888 1040277567 /nfs/dbraw/zinc/27/75/67/1040277567.db2.gz GARLCNUZLILTOP-FQEVSTJZSA-N -1 1 392.363 3.772 20 5 GHBDMM C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])c1cnc2ccccn21 ZINC001234881673 1040396844 /nfs/dbraw/zinc/39/68/44/1040396844.db2.gz RYCUIHCHFNJCCI-VIFPVBQESA-N -1 1 378.182 3.851 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)cc1OC ZINC001257103103 1043847176 /nfs/dbraw/zinc/84/71/76/1043847176.db2.gz FVLWGLMHYQLPJZ-UHFFFAOYSA-N -1 1 395.440 3.601 20 5 GHBDMM Cc1cccc(C(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cccc(C)c2)c1 ZINC001294449291 1044637951 /nfs/dbraw/zinc/63/79/51/1044637951.db2.gz AQLRDJJNRKOMEU-UHFFFAOYSA-N -1 1 377.400 3.832 20 5 GHBDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)c1 ZINC001260811166 1045677308 /nfs/dbraw/zinc/67/73/08/1045677308.db2.gz HUAUGULZOJXPIX-UHFFFAOYSA-N -1 1 392.440 3.542 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC001309044414 1050296864 /nfs/dbraw/zinc/29/68/64/1050296864.db2.gz IGEXVQFCFYNEQF-LBPRGKRZSA-N -1 1 398.843 3.786 20 5 GHBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC001309048897 1050300217 /nfs/dbraw/zinc/30/02/17/1050300217.db2.gz YMAHUDVMMUKDFJ-OAHLLOKOSA-N -1 1 382.869 3.966 20 5 GHBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001309450647 1050729091 /nfs/dbraw/zinc/72/90/91/1050729091.db2.gz PPUUWHQWIAFYDO-JVXZTZIISA-N -1 1 388.795 3.812 20 5 GHBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC001323544517 1056983958 /nfs/dbraw/zinc/98/39/58/1056983958.db2.gz RROZILNGQWKGNC-UHFFFAOYSA-N -1 1 380.198 3.665 20 5 GHBDMM CC(C)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001464503435 1065049054 /nfs/dbraw/zinc/04/90/54/1065049054.db2.gz DSAALBMFPJUOGK-OAHLLOKOSA-N -1 1 382.869 3.794 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c4ccccc43)CC2)cc1-c1nnn[n-]1 ZINC000826498830 607450911 /nfs/dbraw/zinc/45/09/11/607450911.db2.gz LKSZIOHDVMCGLM-UHFFFAOYSA-N -1 1 389.419 3.640 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c4ccccc43)CC2)cc1-c1nn[n-]n1 ZINC000826498830 607450912 /nfs/dbraw/zinc/45/09/12/607450912.db2.gz LKSZIOHDVMCGLM-UHFFFAOYSA-N -1 1 389.419 3.640 20 5 GHBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2nc3ccccc3s2)ccc1-c1nn[n-]n1 ZINC000823634448 606644216 /nfs/dbraw/zinc/64/42/16/606644216.db2.gz FTIHJZPCBYKQNH-AWEZNQCLSA-N -1 1 393.432 3.726 20 5 GHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000236057520 835931020 /nfs/dbraw/zinc/93/10/20/835931020.db2.gz QZRYYUJBAAQXIQ-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(Oc3ccccn3)c2)s1 ZINC000302210519 861241618 /nfs/dbraw/zinc/24/16/18/861241618.db2.gz YKIFIRZCNILPDD-UHFFFAOYSA-N -1 1 391.430 3.991 20 5 GHBDMM C[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509729998 843098370 /nfs/dbraw/zinc/09/83/70/843098370.db2.gz RLHWLZVOYUZPOP-MRVPVSSYSA-N -1 1 395.289 3.873 20 5 GHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1Cl ZINC000432951126 844702523 /nfs/dbraw/zinc/70/25/23/844702523.db2.gz VMQWOVKUXPFBPC-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000603974578 861522075 /nfs/dbraw/zinc/52/20/75/861522075.db2.gz SSVGTIQAALJGET-UHFFFAOYSA-N -1 1 398.824 3.519 20 5 GHBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000063181260 846549235 /nfs/dbraw/zinc/54/92/35/846549235.db2.gz NUFBXMRXOULPEV-UHFFFAOYSA-N -1 1 391.449 3.751 20 5 GHBDMM CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000910368457 851159174 /nfs/dbraw/zinc/15/91/74/851159174.db2.gz AQDHXEDDBAQVTR-RDJZCZTQSA-N -1 1 375.812 3.804 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1[N+](=O)[O-] ZINC000515631911 851274527 /nfs/dbraw/zinc/27/45/27/851274527.db2.gz FXHWIOKCIRDGLA-UHFFFAOYSA-N -1 1 398.824 3.865 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000438770760 852828512 /nfs/dbraw/zinc/82/85/12/852828512.db2.gz GEMJYCOYWBSOSR-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1[N+](=O)[O-] ZINC000427334794 852991395 /nfs/dbraw/zinc/99/13/95/852991395.db2.gz KVJDBTKRJHEYID-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000553439007 855021652 /nfs/dbraw/zinc/02/16/52/855021652.db2.gz IIIKMXABRMHBQN-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC001212435977 856313480 /nfs/dbraw/zinc/31/34/80/856313480.db2.gz UVJZCIUTFBCZFJ-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000043149499 856491208 /nfs/dbraw/zinc/49/12/08/856491208.db2.gz FXBBNNCERUOFAW-UHFFFAOYSA-N -1 1 383.404 3.736 20 5 GHBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000508300462 857160930 /nfs/dbraw/zinc/16/09/30/857160930.db2.gz FWNUTWBOJJECNT-UHFFFAOYSA-N -1 1 385.689 3.562 20 5 GHBDMM O=C(Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000486429276 857728250 /nfs/dbraw/zinc/72/82/50/857728250.db2.gz XEEWPRUYFUGZHQ-UHFFFAOYSA-N -1 1 383.314 3.997 20 5 GHBDMM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)cc2s1 ZINC000132306370 858152538 /nfs/dbraw/zinc/15/25/38/858152538.db2.gz ITILZUGWCJMVEG-UHFFFAOYSA-N -1 1 381.410 3.761 20 5 GHBDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2O1 ZINC000442844993 858162227 /nfs/dbraw/zinc/16/22/27/858162227.db2.gz XEQXQPQLBJAWFX-KRWDZBQOSA-N -1 1 378.406 3.601 20 5 GHBDMM COc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000443123051 858389812 /nfs/dbraw/zinc/38/98/12/858389812.db2.gz XWNRJFKJTQPHQU-UHFFFAOYSA-N -1 1 385.203 3.588 20 5 GHBDMM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715407 860525149 /nfs/dbraw/zinc/52/51/49/860525149.db2.gz BWJHNJANLCGQQJ-UHFFFAOYSA-N -1 1 384.841 3.812 20 5 GHBDMM CCCCc1nnc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])s1 ZINC000599133297 860833622 /nfs/dbraw/zinc/83/36/22/860833622.db2.gz UGDCTOBYYXKBQR-UHFFFAOYSA-N -1 1 385.243 3.804 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000603780028 861165256 /nfs/dbraw/zinc/16/52/56/861165256.db2.gz YRRWQDHBFWLVAX-UHFFFAOYSA-N -1 1 391.430 3.528 20 5 GHBDMM COCCSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000439714456 863695534 /nfs/dbraw/zinc/69/55/34/863695534.db2.gz BMPLNYXGCXYVHC-UHFFFAOYSA-N -1 1 396.490 3.751 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000734740725 864417421 /nfs/dbraw/zinc/41/74/21/864417421.db2.gz RGXURVROSUXWSI-UHFFFAOYSA-N -1 1 375.450 3.694 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000608956008 865855236 /nfs/dbraw/zinc/85/52/36/865855236.db2.gz WTPMWHIXXTUXMU-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)oc1C ZINC000054294104 866622952 /nfs/dbraw/zinc/62/29/52/866622952.db2.gz UUZIBSOPZMITHU-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742305836 867187653 /nfs/dbraw/zinc/18/76/53/867187653.db2.gz AOEBGTROGYOVFZ-HNNXBMFYSA-N -1 1 380.441 3.814 20 5 GHBDMM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445160646 867874885 /nfs/dbraw/zinc/87/48/85/867874885.db2.gz OUINXGHIWPNASS-HNNXBMFYSA-N -1 1 391.305 3.882 20 5 GHBDMM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000445711222 868893351 /nfs/dbraw/zinc/89/33/51/868893351.db2.gz FFNDJWIHTYLBDS-UHFFFAOYSA-N -1 1 398.868 3.556 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Sc1ccccc1 ZINC000462605815 869755725 /nfs/dbraw/zinc/75/57/25/869755725.db2.gz IVNGQNOBCGPRCW-NSHDSACASA-N -1 1 386.882 3.707 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(Cl)cccc32)s1 ZINC000540484176 871371133 /nfs/dbraw/zinc/37/11/33/871371133.db2.gz ZMESUCVDZBDRPG-NSHDSACASA-N -1 1 388.854 3.502 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC001195085018 872163163 /nfs/dbraw/zinc/16/31/63/872163163.db2.gz ANNWPJRLRQIQAE-ZETCQYMHSA-N -1 1 394.758 3.705 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000540895445 872418379 /nfs/dbraw/zinc/41/83/79/872418379.db2.gz LIDHLJMZJBTKMK-UHFFFAOYSA-N -1 1 380.809 3.515 20 5 GHBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000443454866 872884220 /nfs/dbraw/zinc/88/42/20/872884220.db2.gz QAJUUPCAPUZMDP-UHFFFAOYSA-N -1 1 392.414 3.617 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000768811199 873567432 /nfs/dbraw/zinc/56/74/32/873567432.db2.gz HCYWYFUVQIMLJL-QMMMGPOBSA-N -1 1 380.369 3.715 20 5 GHBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000771573325 875322477 /nfs/dbraw/zinc/32/24/77/875322477.db2.gz JYCPZNLHTGEMCI-QMMMGPOBSA-N -1 1 398.238 3.577 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000031556001 879686358 /nfs/dbraw/zinc/68/63/58/879686358.db2.gz BXCJETRDDIUKMM-UHFFFAOYSA-N -1 1 376.221 3.593 20 5 GHBDMM CC(C)COc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499154917 881285226 /nfs/dbraw/zinc/28/52/26/881285226.db2.gz KAAHSZVDBOKYKT-UHFFFAOYSA-N -1 1 378.450 3.614 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCOC2CCCC2)c(Cl)cc1Cl ZINC000809811932 887822963 /nfs/dbraw/zinc/82/29/63/887822963.db2.gz KDJQNVSCEHYGEJ-UHFFFAOYSA-N -1 1 397.280 3.529 20 5 GHBDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000121008188 888832626 /nfs/dbraw/zinc/83/26/26/888832626.db2.gz OOQVCLDTVXSXRK-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1C ZINC000497946076 892814510 /nfs/dbraw/zinc/81/45/10/892814510.db2.gz ISTOKXYLJSKAOI-UHFFFAOYSA-N -1 1 376.434 3.801 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2F)c(Cl)cc1Cl ZINC000821191546 897754695 /nfs/dbraw/zinc/75/46/95/897754695.db2.gz OMBKLYULNICCPF-UHFFFAOYSA-N -1 1 381.168 3.547 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001137004256 900028606 /nfs/dbraw/zinc/02/86/06/900028606.db2.gz SZEWTRXTPSVTOE-INIZCTEOSA-N -1 1 375.400 3.564 20 5 GHBDMM COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000263910250 902674506 /nfs/dbraw/zinc/67/45/06/902674506.db2.gz KWYUYOFRHSYXMK-UHFFFAOYSA-N -1 1 376.369 3.531 20 5 GHBDMM Cc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC001148264840 904020736 /nfs/dbraw/zinc/02/07/36/904020736.db2.gz SUQGSGNZHDZHEN-JTQLQIEISA-N -1 1 379.210 3.862 20 5 GHBDMM C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001171708675 904940655 /nfs/dbraw/zinc/94/06/55/904940655.db2.gz SWQFPVGBQZJMKW-GOSISDBHSA-N -1 1 393.802 3.725 20 5 GHBDMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4nc5ccccc5cc4c3)ccc2N1 ZINC001186932099 914879250 /nfs/dbraw/zinc/87/92/50/914879250.db2.gz FRGLCFWNLFZGSM-UHFFFAOYSA-N -1 1 389.436 3.683 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc4ncsc4c3)no2)n[n-]c1C(F)(F)F ZINC001212972537 916160635 /nfs/dbraw/zinc/16/06/35/916160635.db2.gz CEPZDMBSFYOXRH-UHFFFAOYSA-N -1 1 382.283 3.663 20 5 GHBDMM COc1cc(Cl)ccc1-c1noc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973146 916166327 /nfs/dbraw/zinc/16/63/27/916166327.db2.gz SHSSTNTUUDWLAC-UHFFFAOYSA-N -1 1 389.677 3.716 20 5 GHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1F ZINC000775293715 916841609 /nfs/dbraw/zinc/84/16/09/916841609.db2.gz CKDFVCPREILRIN-UHFFFAOYSA-N -1 1 388.804 3.814 20 5 GHBDMM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119704723 919648642 /nfs/dbraw/zinc/64/86/42/919648642.db2.gz BMSRGQRULCFCDA-UHFFFAOYSA-N -1 1 395.487 3.567 20 5 GHBDMM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000546056238 929811518 /nfs/dbraw/zinc/81/15/18/929811518.db2.gz OWWMURSCXOJYBF-JOCQHMNTSA-N -1 1 380.853 3.781 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cc1C ZINC000757921788 929857096 /nfs/dbraw/zinc/85/70/96/929857096.db2.gz TXOLKWZJELXYLH-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1Cl ZINC000798247787 932575374 /nfs/dbraw/zinc/57/53/74/932575374.db2.gz WNBPGIPJQIEOAY-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM O=C(Nc1ccc(Br)c([O-])c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001116902638 933820317 /nfs/dbraw/zinc/82/03/17/933820317.db2.gz QGPXJSUJAMKBFG-UHFFFAOYSA-N -1 1 387.136 3.793 20 5 GHBDMM CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)c1 ZINC000777922290 934150557 /nfs/dbraw/zinc/15/05/57/934150557.db2.gz LWLZGYILDTWLSD-UHFFFAOYSA-N -1 1 382.413 3.940 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000777932274 934208225 /nfs/dbraw/zinc/20/82/25/934208225.db2.gz ICJGTNRDXCTOEL-UHFFFAOYSA-N -1 1 380.397 3.632 20 5 GHBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C3CCC2(C(=O)[O-])CC3)cc1OC ZINC001594964097 982716498 /nfs/dbraw/zinc/71/64/98/982716498.db2.gz CWLNPFMBXDSBSH-JUJQQSPASA-N -1 1 392.452 3.610 20 5 GHBDMM C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593686665 996123973 /nfs/dbraw/zinc/12/39/73/996123973.db2.gz LROQTTYUPBWALZ-ZDUSSCGKSA-N -1 1 384.388 3.997 20 5 GHBDMM CCOc1cc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc(Cl)c1[O-] ZINC000547259794 1016870678 /nfs/dbraw/zinc/87/06/78/1016870678.db2.gz DNAVEQOGMXCJKN-UHFFFAOYSA-N -1 1 376.796 3.551 20 5 GHBDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])[nH]n2)c1 ZINC000754840074 1022926489 /nfs/dbraw/zinc/92/64/89/1022926489.db2.gz JRWBCDILYYFNST-UHFFFAOYSA-N -1 1 390.396 3.542 20 5 GHBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000755956439 1023451887 /nfs/dbraw/zinc/45/18/87/1023451887.db2.gz WWNYJYSZNHRHOC-UHFFFAOYSA-N -1 1 377.809 3.784 20 5 GHBDMM CCCCOC[C@@H](C)OC[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860320 1033144586 /nfs/dbraw/zinc/14/45/86/1033144586.db2.gz TXFUOJZPEKPPNC-MNOVXSKESA-N -1 1 396.362 3.703 20 5 GHBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000756351954 1023602568 /nfs/dbraw/zinc/60/25/68/1023602568.db2.gz UWLJMLLMOGIZFJ-OAHLLOKOSA-N -1 1 384.310 3.538 20 5 GHBDMM O=C(Nc1cccc([O-])c1Br)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001141218671 1024169009 /nfs/dbraw/zinc/16/90/09/1024169009.db2.gz GLDWBIQVUMDPIG-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c(Cl)cc1Cl ZINC000832187251 1025299106 /nfs/dbraw/zinc/29/91/06/1025299106.db2.gz JRCCQMMYGPIFAA-ZETCQYMHSA-N -1 1 389.207 3.615 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2cc(Br)cc(Br)n2)ccc1[O-] ZINC001210396371 1027488714 /nfs/dbraw/zinc/48/87/14/1027488714.db2.gz QIMBHHJZLMOVBR-UHFFFAOYSA-N -1 1 389.003 3.964 20 5 GHBDMM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001210953780 1027718354 /nfs/dbraw/zinc/71/83/54/1027718354.db2.gz PYTAYGSEKMPTDQ-UHFFFAOYSA-N -1 1 385.145 3.732 20 5 GHBDMM O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC001142284844 1028578777 /nfs/dbraw/zinc/57/87/77/1028578777.db2.gz KWYSBRGXIYKSGB-CYBMUJFWSA-N -1 1 376.237 3.612 20 5 GHBDMM O=c1c2ccc([O-])cc2oc2cc(OC[C@@H]3COc4ccccc4O3)ccc12 ZINC001229518785 1033535378 /nfs/dbraw/zinc/53/53/78/1033535378.db2.gz XJMWWUZHNJGHAN-OAHLLOKOSA-N -1 1 376.364 3.871 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001229751947 1033687712 /nfs/dbraw/zinc/68/77/12/1033687712.db2.gz ZGLYAWZNCBBHGU-WBMJQRKESA-N -1 1 384.404 3.725 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)cc1[N+](=O)[O-] ZINC001229754872 1033689996 /nfs/dbraw/zinc/68/99/96/1033689996.db2.gz UKANJTQVVWOVFB-AWEZNQCLSA-N -1 1 388.367 3.632 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@H]3COc4cscc4O3)c(O)cc12 ZINC001229804801 1033729977 /nfs/dbraw/zinc/72/99/77/1033729977.db2.gz DZDVGGFFURPRQH-NSHDSACASA-N -1 1 398.392 3.638 20 5 GHBDMM COc1c(Br)cccc1[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231261670 1034491304 /nfs/dbraw/zinc/49/13/04/1034491304.db2.gz CCHQGYUAKODYEO-VIFPVBQESA-N -1 1 383.198 3.915 20 5 GHBDMM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc2ccc(O)cc2c1[O-] ZINC001161550556 1035256462 /nfs/dbraw/zinc/25/64/62/1035256462.db2.gz SCYGLTIFZYAQMO-UHFFFAOYSA-N -1 1 375.340 3.960 20 5 GHBDMM COC(=O)c1nc(Cl)c(Cl)nc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248589899 1035975216 /nfs/dbraw/zinc/97/52/16/1035975216.db2.gz ANJHFRLRZBYGLP-UHFFFAOYSA-N -1 1 377.571 3.875 20 5 GHBDMM CC(C)(C)C(=O)OC1CC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234746138 1040272909 /nfs/dbraw/zinc/27/29/09/1040272909.db2.gz AYWPXSGJMFQBBO-UHFFFAOYSA-N -1 1 398.411 3.857 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747283 1040272959 /nfs/dbraw/zinc/27/29/59/1040272959.db2.gz KFOCMNWMGKFXRX-WFASDCNBSA-N -1 1 398.411 3.858 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)CC(C)(C)OC)cc([O-])cc3oc21 ZINC001234750447 1040277458 /nfs/dbraw/zinc/27/74/58/1040277458.db2.gz BHRCSGRTZJQUOM-NSHDSACASA-N -1 1 388.416 3.948 20 5 GHBDMM O=C([N-]CC[C@H]1CN(c2ccccc2[N+](=O)[O-])c2ccccc21)C(F)(F)F ZINC001307189993 1049127679 /nfs/dbraw/zinc/12/76/79/1049127679.db2.gz SDXHEGOVQOWFAE-LBPRGKRZSA-N -1 1 379.338 3.899 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)cc1[N+](=O)[O-] ZINC001324209563 1057089223 /nfs/dbraw/zinc/08/92/23/1057089223.db2.gz HSIKXPBVXRGFDH-UHFFFAOYSA-N -1 1 388.804 3.814 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c(F)c2)cc1F ZINC001463348108 1064271955 /nfs/dbraw/zinc/27/19/55/1064271955.db2.gz FGLIAXLHOLRSRO-SECBINFHSA-N -1 1 390.795 3.874 20 5 GHBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ocnc1-c1ccccc1 ZINC001353842210 1066297613 /nfs/dbraw/zinc/29/76/13/1066297613.db2.gz LOABLXAHLGVCAR-UHFFFAOYSA-N -1 1 381.344 3.663 20 5 GHBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000849336454 1067805215 /nfs/dbraw/zinc/80/52/15/1067805215.db2.gz BZSMPRBSWLREGD-AWEZNQCLSA-N -1 1 376.862 3.585 20 5 GHBDMM Cc1ccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC001474792953 1074565866 /nfs/dbraw/zinc/56/58/66/1074565866.db2.gz LDTIKWMMTYINNP-UHFFFAOYSA-N -1 1 382.869 3.776 20 5 GHBDMM COc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001475065430 1074719034 /nfs/dbraw/zinc/71/90/34/1074719034.db2.gz OBXYIHBMLHNLAD-AWEZNQCLSA-N -1 1 384.479 3.731 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(Cl)cc1Cl ZINC001475147883 1074757678 /nfs/dbraw/zinc/75/76/78/1074757678.db2.gz RQYGRLAOFSFYTP-ZDUSSCGKSA-N -1 1 379.265 3.903 20 5 GHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824657884 607447893 /nfs/dbraw/zinc/44/78/93/607447893.db2.gz SDDXLIXZYVTLIB-SECBINFHSA-N -1 1 378.314 3.967 20 5 GHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824657884 607447895 /nfs/dbraw/zinc/44/78/95/607447895.db2.gz SDDXLIXZYVTLIB-SECBINFHSA-N -1 1 378.314 3.967 20 5 GHBDMM O=C([O-])[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000833165247 604789251 /nfs/dbraw/zinc/78/92/51/604789251.db2.gz HAPWCACEJNRICG-CQSZACIVSA-N -1 1 399.628 3.926 20 5 GHBDMM CC(C)(C)c1nc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2s1 ZINC000819966148 606712958 /nfs/dbraw/zinc/71/29/58/606712958.db2.gz XVTKQWBCMADVOX-UHFFFAOYSA-N -1 1 396.436 3.821 20 5 GHBDMM CC(C)(C)c1nc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2s1 ZINC000819966148 606712960 /nfs/dbraw/zinc/71/29/60/606712960.db2.gz XVTKQWBCMADVOX-UHFFFAOYSA-N -1 1 396.436 3.821 20 5 GHBDMM C[C@@H]1C[C@H]1[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668325 606713427 /nfs/dbraw/zinc/71/34/27/606713427.db2.gz ROQCJVBUGSQYEV-OWYVNGRQSA-N -1 1 385.815 3.633 20 5 GHBDMM C[C@@H]1C[C@H]1[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000820668325 606713429 /nfs/dbraw/zinc/71/34/29/606713429.db2.gz ROQCJVBUGSQYEV-OWYVNGRQSA-N -1 1 385.815 3.633 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431639891 835953377 /nfs/dbraw/zinc/95/33/77/835953377.db2.gz NAOMUXPLWFSPFH-AULYBMBSSA-N -1 1 384.816 3.612 20 5 GHBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146709008 836588590 /nfs/dbraw/zinc/58/85/90/836588590.db2.gz TXONZZGRYZHQDI-UHFFFAOYSA-N -1 1 384.841 3.514 20 5 GHBDMM CC(C)Cc1nnc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])s1 ZINC000549774144 844253411 /nfs/dbraw/zinc/25/34/11/844253411.db2.gz XCJGANVZBMFOHV-UHFFFAOYSA-N -1 1 383.433 3.959 20 5 GHBDMM COc1ccc(CN(Cc2ccccc2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000472931693 838302223 /nfs/dbraw/zinc/30/22/23/838302223.db2.gz KNDQLLOQCOTFNU-UHFFFAOYSA-N -1 1 393.399 3.547 20 5 GHBDMM Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000189748803 838393149 /nfs/dbraw/zinc/39/31/49/838393149.db2.gz LLCMMFRAJDWTSZ-UHFFFAOYSA-N -1 1 391.430 3.533 20 5 GHBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12 ZINC000182258905 839022427 /nfs/dbraw/zinc/02/24/27/839022427.db2.gz CLBYCKWLIODRJC-UHFFFAOYSA-N -1 1 399.428 3.816 20 5 GHBDMM C[C@@H](c1ccccc1)n1ccc([N-]c2ncc([N+](=O)[O-])cc2Br)n1 ZINC000610735212 843792164 /nfs/dbraw/zinc/79/21/64/843792164.db2.gz IXUVRNGYHURUQE-NSHDSACASA-N -1 1 388.225 3.724 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1 ZINC000481587765 861774632 /nfs/dbraw/zinc/77/46/32/861774632.db2.gz QQMUJZJOQIHQDY-UHFFFAOYSA-N -1 1 387.417 3.921 20 5 GHBDMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604127441 861861210 /nfs/dbraw/zinc/86/12/10/861861210.db2.gz NMGCHABWPHOYJD-AWEZNQCLSA-N -1 1 397.431 3.666 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435584305 850673678 /nfs/dbraw/zinc/67/36/78/850673678.db2.gz NVRMPDJHGYRTNR-AULYBMBSSA-N -1 1 384.816 3.612 20 5 GHBDMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000488218152 851276076 /nfs/dbraw/zinc/27/60/76/851276076.db2.gz KWISIOKFQRHKBM-NSHDSACASA-N -1 1 398.412 3.721 20 5 GHBDMM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000507309755 852770331 /nfs/dbraw/zinc/77/03/31/852770331.db2.gz AJELTAGJWFDYQY-MRXNPFEDSA-N -1 1 386.795 3.807 20 5 GHBDMM COC(=O)c1ccc(F)c([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000516998438 853244328 /nfs/dbraw/zinc/24/43/28/853244328.db2.gz SBTWFKGEVWAMSL-UHFFFAOYSA-N -1 1 386.257 3.792 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000518660779 853622756 /nfs/dbraw/zinc/62/27/56/853622756.db2.gz IAUVIWCYNHVZNS-UHFFFAOYSA-N -1 1 394.758 3.746 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000729485729 853917677 /nfs/dbraw/zinc/91/76/77/853917677.db2.gz RYTZUEDMOZEFAS-MRXNPFEDSA-N -1 1 382.388 3.693 20 5 GHBDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])c(C)cc3C)cc2)co1 ZINC000165130549 854703677 /nfs/dbraw/zinc/70/36/77/854703677.db2.gz BSRWZJMOYFSFGC-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCCSC1 ZINC000301576601 855249349 /nfs/dbraw/zinc/24/93/49/855249349.db2.gz YWOCDISKTYFAOE-AWEZNQCLSA-N -1 1 393.490 3.703 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001211866062 855395694 /nfs/dbraw/zinc/39/56/94/855395694.db2.gz YHLNCNPGGCHWJA-HOTGVXAUSA-N -1 1 392.452 3.986 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c2ncccc12 ZINC000184781484 855818675 /nfs/dbraw/zinc/81/86/75/855818675.db2.gz QXVSRIXRWWMAPD-UHFFFAOYSA-N -1 1 381.772 3.736 20 5 GHBDMM Cc1nc(-c2ccc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)nc2)[n-]c(=O)c1C ZINC000301758054 857559254 /nfs/dbraw/zinc/55/92/54/857559254.db2.gz FDPFVFAEVGAHTE-UHFFFAOYSA-N -1 1 391.431 3.938 20 5 GHBDMM CC(C)(C)OCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000521204209 857730265 /nfs/dbraw/zinc/73/02/65/857730265.db2.gz GPZDIWPTOVNVCA-UHFFFAOYSA-N -1 1 393.465 3.623 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000592967944 858458307 /nfs/dbraw/zinc/45/83/07/858458307.db2.gz VJQOAORIKDMJTG-UHFFFAOYSA-N -1 1 389.839 3.659 20 5 GHBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1Cl ZINC000543656820 859254872 /nfs/dbraw/zinc/25/48/72/859254872.db2.gz BYNLXCLGKRSCAK-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM C[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@H]1F ZINC000611494358 859779523 /nfs/dbraw/zinc/77/95/23/859779523.db2.gz OFYSVOLHDMNYTM-CZUORRHYSA-N -1 1 393.440 3.580 20 5 GHBDMM O=C(NCCC(c1ccccc1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484095819 859802407 /nfs/dbraw/zinc/80/24/07/859802407.db2.gz OCEYEKIYJYFTFM-UHFFFAOYSA-N -1 1 377.400 3.647 20 5 GHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CCC(C)C)s2)cc1OC ZINC000597868710 859864427 /nfs/dbraw/zinc/86/44/27/859864427.db2.gz CAXFDPADXYLJGL-UHFFFAOYSA-N -1 1 394.453 3.695 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000484199962 859886937 /nfs/dbraw/zinc/88/69/37/859886937.db2.gz RMVICBRCSKEYSO-LJQANCHMSA-N -1 1 389.411 3.678 20 5 GHBDMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000727300161 860026687 /nfs/dbraw/zinc/02/66/87/860026687.db2.gz MZHIUECWDMHILP-UHFFFAOYSA-N -1 1 390.421 3.518 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000093929048 860377031 /nfs/dbraw/zinc/37/70/31/860377031.db2.gz VFYHZRVSTGPRLN-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494320378 881572871 /nfs/dbraw/zinc/57/28/71/881572871.db2.gz SWWWPEXDQIXDHC-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362531 861028954 /nfs/dbraw/zinc/02/89/54/861028954.db2.gz PMFXLKOITOXFOB-UHFFFAOYSA-N -1 1 399.186 3.711 20 5 GHBDMM CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738203 861117905 /nfs/dbraw/zinc/11/79/05/861117905.db2.gz ORNKFZVNTZFIJN-ROUUACIJSA-N -1 1 376.453 3.853 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000165167121 864654808 /nfs/dbraw/zinc/65/48/08/864654808.db2.gz UQAYMCGYQUBLDF-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000735675638 864906794 /nfs/dbraw/zinc/90/67/94/864906794.db2.gz OBEWKLSHSQTZNQ-UHFFFAOYSA-N -1 1 386.832 3.643 20 5 GHBDMM CC(C)c1cnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1C(C)C ZINC000739435027 865732412 /nfs/dbraw/zinc/73/24/12/865732412.db2.gz DBHXSKDUDYBHLR-UHFFFAOYSA-N -1 1 390.465 3.544 20 5 GHBDMM O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552866608 866385801 /nfs/dbraw/zinc/38/58/01/866385801.db2.gz IYXQDVVFWVZUOS-UONOGXRCSA-N -1 1 395.337 3.780 20 5 GHBDMM CN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)C(=O)c1cccs1 ZINC000523404333 867260977 /nfs/dbraw/zinc/26/09/77/867260977.db2.gz KVBBZOLQGHKGHV-UHFFFAOYSA-N -1 1 384.417 3.509 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001192810206 870688346 /nfs/dbraw/zinc/68/83/46/870688346.db2.gz UBODXFREILRYDR-BYCMXARLSA-N -1 1 399.255 3.518 20 5 GHBDMM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)no2)c1 ZINC000538841943 870760846 /nfs/dbraw/zinc/76/08/46/870760846.db2.gz JWQGOEPQKWYULS-UHFFFAOYSA-N -1 1 399.334 3.756 20 5 GHBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1cccs1 ZINC000446954427 870764676 /nfs/dbraw/zinc/76/46/76/870764676.db2.gz OMIUCRVWSKPCJP-UHFFFAOYSA-N -1 1 392.462 3.718 20 5 GHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cc(C)c([N+](=O)[O-])cc3F)c2)n1 ZINC000461964874 871360080 /nfs/dbraw/zinc/36/00/80/871360080.db2.gz LMOALHUIRDWBHV-UHFFFAOYSA-N -1 1 399.382 3.616 20 5 GHBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000794026345 882558066 /nfs/dbraw/zinc/55/80/66/882558066.db2.gz MFTGSQRNMPEXEI-UHFFFAOYSA-N -1 1 398.265 3.572 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000619467556 872662830 /nfs/dbraw/zinc/66/28/30/872662830.db2.gz NXLTUPUXANVMLM-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000182713906 872690838 /nfs/dbraw/zinc/69/08/38/872690838.db2.gz FALVMHMNOYOLBE-UHFFFAOYSA-N -1 1 383.429 3.641 20 5 GHBDMM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)cs1 ZINC000768811526 873567577 /nfs/dbraw/zinc/56/75/77/873567577.db2.gz SHGXAGUNDYIHLQ-UHFFFAOYSA-N -1 1 395.487 3.567 20 5 GHBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000195526422 882919755 /nfs/dbraw/zinc/91/97/55/882919755.db2.gz AREFUNTZBSBIPP-UHFFFAOYSA-N -1 1 387.446 3.694 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000146540057 876378573 /nfs/dbraw/zinc/37/85/73/876378573.db2.gz FOPJLKGSCGWBLP-GFCCVEGCSA-N -1 1 384.866 3.764 20 5 GHBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1F ZINC000180016449 878377436 /nfs/dbraw/zinc/37/74/36/878377436.db2.gz MLGPRVTYCSFNIA-UHFFFAOYSA-N -1 1 378.303 3.862 20 5 GHBDMM CCOc1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000617210270 879512751 /nfs/dbraw/zinc/51/27/51/879512751.db2.gz FDEHKZFTWQLYLS-UHFFFAOYSA-N -1 1 384.432 3.794 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(-c2ccco2)cc1F ZINC000790449300 879733860 /nfs/dbraw/zinc/73/38/60/879733860.db2.gz GQRLCBBNYZTDSM-UHFFFAOYSA-N -1 1 394.355 3.612 20 5 GHBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000475834860 884806686 /nfs/dbraw/zinc/80/66/86/884806686.db2.gz QTVKEXFJEJWILY-UHFFFAOYSA-N -1 1 382.825 3.950 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000761888732 884952210 /nfs/dbraw/zinc/95/22/10/884952210.db2.gz GBCJFLZRKNALHL-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193700887 887262136 /nfs/dbraw/zinc/26/21/36/887262136.db2.gz JWHYFWLBHDSORD-LBPRGKRZSA-N -1 1 398.444 3.961 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(Cl)cc1Cl ZINC000809806900 887817985 /nfs/dbraw/zinc/81/79/85/887817985.db2.gz VZFNYEWTPVDWMU-UHFFFAOYSA-N -1 1 385.612 3.627 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Cl)cc1Cl ZINC000809827433 887879623 /nfs/dbraw/zinc/87/96/23/887879623.db2.gz ODLODOYWFYLIKJ-SSDOTTSWSA-N -1 1 389.207 3.758 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000064243708 892421070 /nfs/dbraw/zinc/42/10/70/892421070.db2.gz DHGYACFOBGKVAM-INIZCTEOSA-N -1 1 388.470 3.919 20 5 GHBDMM COc1cccc(C(=O)[N-]c2c(F)ccc(Br)c2F)c1[N+](=O)[O-] ZINC001134409523 892816729 /nfs/dbraw/zinc/81/67/29/892816729.db2.gz VLBLKKVHAATVEQ-UHFFFAOYSA-N -1 1 387.136 3.896 20 5 GHBDMM CC1(c2nccc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])n2)CC1 ZINC000890252198 900672686 /nfs/dbraw/zinc/67/26/86/900672686.db2.gz CVJUCAFWRDNSPJ-UHFFFAOYSA-N -1 1 383.227 3.513 20 5 GHBDMM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000265328067 903809251 /nfs/dbraw/zinc/80/92/51/903809251.db2.gz LEBICTZOZJWVME-SANMLTNESA-N -1 1 375.450 3.757 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cc(F)cc(Cl)c3)no2)n[n-]c1C(F)(F)F ZINC001212973309 916169290 /nfs/dbraw/zinc/16/92/90/916169290.db2.gz VWQJJSUVQINXJB-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c(=O)c1C1CC1 ZINC001189885302 916968547 /nfs/dbraw/zinc/96/85/47/916968547.db2.gz TXZSROGWIHPLGW-NSHDSACASA-N -1 1 388.449 3.704 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC001190787974 917565513 /nfs/dbraw/zinc/56/55/13/917565513.db2.gz GAZSUPIHBAZYHT-SNVBAGLBSA-N -1 1 382.816 3.742 20 5 GHBDMM COc1ccc(Cl)cc1C(C)(C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001191591593 918065195 /nfs/dbraw/zinc/06/51/95/918065195.db2.gz QUHSOCMVNVHJCA-UHFFFAOYSA-N -1 1 390.870 3.532 20 5 GHBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000007050933 918387524 /nfs/dbraw/zinc/38/75/24/918387524.db2.gz KBJIBFPWVMCLEE-UHFFFAOYSA-N -1 1 380.422 3.501 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cc1F ZINC000757921848 929855836 /nfs/dbraw/zinc/85/58/36/929855836.db2.gz UOZNQZMENFGRMT-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCN(CC)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000469446751 929898257 /nfs/dbraw/zinc/89/82/57/929898257.db2.gz SGAFMQRMCZHFEO-SFHVURJKSA-N -1 1 391.855 3.767 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000777929424 934195773 /nfs/dbraw/zinc/19/57/73/934195773.db2.gz WFYMFUKVFSBTIE-UHFFFAOYSA-N -1 1 394.424 3.770 20 5 GHBDMM COc1cc(CN[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c([N+](=O)[O-])cc1F ZINC001599416237 997516760 /nfs/dbraw/zinc/51/67/60/997516760.db2.gz PXONCMPXAWOKRX-FKIZINRSSA-N -1 1 388.395 3.710 20 5 GHBDMM COc1cc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1OCC(F)(F)F ZINC000545640113 1016161187 /nfs/dbraw/zinc/16/11/87/1016161187.db2.gz HKFAPBRMNMILKH-UHFFFAOYSA-N -1 1 398.297 3.513 20 5 GHBDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725828299 1022385256 /nfs/dbraw/zinc/38/52/56/1022385256.db2.gz FNCSDZLWDZEULL-LLVKDONJSA-N -1 1 384.841 3.686 20 5 GHBDMM COc1ccc([C@@H](C)Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])cc1OC ZINC001228859198 1033141269 /nfs/dbraw/zinc/14/12/69/1033141269.db2.gz IZFAKVJKCMYNJM-MRVPVSSYSA-N -1 1 388.298 3.871 20 5 GHBDMM CC(C)[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001211458917 1027970182 /nfs/dbraw/zinc/97/01/82/1027970182.db2.gz HMQJMYKAHINFNJ-PBHICJAKSA-N -1 1 380.491 3.894 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1Cc2cccc3cccc1c23 ZINC001226308896 1031910099 /nfs/dbraw/zinc/91/00/99/1031910099.db2.gz ZRXUIVUURDEEBC-HNNXBMFYSA-N -1 1 380.356 3.702 20 5 GHBDMM COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(Cl)c2)cc1SC ZINC001154106000 1031929685 /nfs/dbraw/zinc/92/96/85/1031929685.db2.gz VSLYKXPBINXQHX-UHFFFAOYSA-N -1 1 382.825 3.614 20 5 GHBDMM CC(C)COc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001208481281 1034911267 /nfs/dbraw/zinc/91/12/67/1034911267.db2.gz LWSGZMCRJQMCNT-UHFFFAOYSA-N -1 1 398.868 3.762 20 5 GHBDMM COC(=O)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1ccc(F)cc1 ZINC001233496846 1039391747 /nfs/dbraw/zinc/39/17/47/1039391747.db2.gz BIDVRJCKFLGBFT-AWEZNQCLSA-N -1 1 379.731 3.557 20 5 GHBDMM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ccc(F)cc1 ZINC001233496846 1039391760 /nfs/dbraw/zinc/39/17/60/1039391760.db2.gz BIDVRJCKFLGBFT-AWEZNQCLSA-N -1 1 379.731 3.557 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)CC(C)(C)OC)cc3c(=O)c12 ZINC001234795562 1040326542 /nfs/dbraw/zinc/32/65/42/1040326542.db2.gz GMUAJCLMVNHMBP-LLVKDONJSA-N -1 1 388.416 3.948 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(Cl)cc1Cl ZINC001309871977 1051015675 /nfs/dbraw/zinc/01/56/75/1051015675.db2.gz WXLFTADTQVNHCO-AMKSKSKJSA-N -1 1 399.255 3.518 20 5 GHBDMM C[C@H](C1CC1)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC001322159175 1056545597 /nfs/dbraw/zinc/54/55/97/1056545597.db2.gz QBKURYIYCFJTDO-CYBMUJFWSA-N -1 1 375.450 3.630 20 5 GHBDMM Cn1ccnc1C(=O)c1ccc(NCc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC001458568951 1063895721 /nfs/dbraw/zinc/89/57/21/1063895721.db2.gz HPSWYBCVIXOYEC-UHFFFAOYSA-N -1 1 386.795 3.530 20 5 GHBDMM Cc1nc(SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)[n-]c(=O)c1C1CC1 ZINC001459212967 1064024219 /nfs/dbraw/zinc/02/42/19/1064024219.db2.gz PLQMHJPKVISXIJ-UHFFFAOYSA-N -1 1 385.405 3.619 20 5 GHBDMM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001475170283 1074768011 /nfs/dbraw/zinc/76/80/11/1074768011.db2.gz IZOXCKKMKCXXTK-UHFFFAOYSA-N -1 1 380.809 3.781 20 5 GHBDMM Cc1cc(N2CCCC[C@@H]2C)ccc1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822207055 606719898 /nfs/dbraw/zinc/71/98/98/606719898.db2.gz JLZDGNGDUGNCGQ-ZDUSSCGKSA-N -1 1 394.439 3.601 20 5 GHBDMM CSc1ccc(Cl)cc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000064848509 837456309 /nfs/dbraw/zinc/45/63/09/837456309.db2.gz GQHPUPUSHBADHQ-UHFFFAOYSA-N -1 1 380.809 3.994 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000511294111 835065070 /nfs/dbraw/zinc/06/50/70/835065070.db2.gz DHXODZGJAPKYCU-UHFFFAOYSA-N -1 1 378.406 3.526 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000433444466 844187059 /nfs/dbraw/zinc/18/70/59/844187059.db2.gz RSRUFKXNGFZDOB-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180060705 836981048 /nfs/dbraw/zinc/98/10/48/836981048.db2.gz QDGHWZBCQUTWPE-UHFFFAOYSA-N -1 1 395.337 3.734 20 5 GHBDMM Cc1c(C(=O)[N-]c2nnc(-c3ccsc3)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120151696 837887970 /nfs/dbraw/zinc/88/79/70/837887970.db2.gz JDXUXPPUJDVEGL-UHFFFAOYSA-N -1 1 391.390 3.644 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044771822 841487826 /nfs/dbraw/zinc/48/78/26/841487826.db2.gz RNPVODPSCOORED-PSASIEDQSA-N -1 1 386.779 3.648 20 5 GHBDMM CCc1cc2c(COC(=O)c3ccc([N+](=O)[O-])cc3C)cc(=O)oc2cc1[O-] ZINC000728344427 841713825 /nfs/dbraw/zinc/71/38/25/841713825.db2.gz KFICQCBWYWNIAJ-UHFFFAOYSA-N -1 1 383.356 3.635 20 5 GHBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000055616713 861268682 /nfs/dbraw/zinc/26/86/82/861268682.db2.gz WAPNHVVKNDSKDW-UHFFFAOYSA-N -1 1 397.840 3.706 20 5 GHBDMM CC[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001266836054 842386785 /nfs/dbraw/zinc/38/67/85/842386785.db2.gz XCTBOOICSYLKNF-HNNXBMFYSA-N -1 1 391.449 3.748 20 5 GHBDMM O=[N+]([O-])c1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc2ccccc21 ZINC001167938784 844837758 /nfs/dbraw/zinc/83/77/58/844837758.db2.gz NGHZJEOHNACZOA-UHFFFAOYSA-N -1 1 384.328 3.833 20 5 GHBDMM CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000512759107 845357616 /nfs/dbraw/zinc/35/76/16/845357616.db2.gz RMKHIRZTCKUDKU-CYBMUJFWSA-N -1 1 398.506 3.743 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000604042015 861621937 /nfs/dbraw/zinc/62/19/37/861621937.db2.gz FSKBVPBQBCRCBY-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604127442 861860859 /nfs/dbraw/zinc/86/08/59/861860859.db2.gz NMGCHABWPHOYJD-CQSZACIVSA-N -1 1 397.431 3.666 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000490173632 852806404 /nfs/dbraw/zinc/80/64/04/852806404.db2.gz XFWBGYLLQVINDD-QGZVFWFLSA-N -1 1 392.820 3.909 20 5 GHBDMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427255616 852908543 /nfs/dbraw/zinc/90/85/43/852908543.db2.gz GSXCIYGTODQSNB-DGCLKSJQSA-N -1 1 378.903 3.591 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000542728947 855577823 /nfs/dbraw/zinc/57/78/23/855577823.db2.gz VIRJNJUIOZSNFU-UHFFFAOYSA-N -1 1 378.450 3.937 20 5 GHBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000591257689 855829935 /nfs/dbraw/zinc/82/99/35/855829935.db2.gz YMHTVHHROZAZGO-UHFFFAOYSA-N -1 1 391.449 3.588 20 5 GHBDMM Cc1ccsc1-c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000131862743 857166143 /nfs/dbraw/zinc/16/61/43/857166143.db2.gz GZICUNWFVFNMLD-UHFFFAOYSA-N -1 1 391.390 3.644 20 5 GHBDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000521322941 857871965 /nfs/dbraw/zinc/87/19/65/857871965.db2.gz SVISRDYBHGWCFU-UHFFFAOYSA-N -1 1 386.426 3.655 20 5 GHBDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000509383817 859256257 /nfs/dbraw/zinc/25/62/57/859256257.db2.gz DJNADCJDEWEDGR-UHFFFAOYSA-N -1 1 397.456 3.998 20 5 GHBDMM CCOc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000484234212 859890290 /nfs/dbraw/zinc/89/02/90/859890290.db2.gz KMPFSPZOONLDPU-LJQANCHMSA-N -1 1 393.399 3.614 20 5 GHBDMM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000126558653 861077302 /nfs/dbraw/zinc/07/73/02/861077302.db2.gz GASWQRXDCKSERA-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])[nH]n2)cc1 ZINC000603780805 861168264 /nfs/dbraw/zinc/16/82/64/861168264.db2.gz LKCNFGBZECCKCZ-UHFFFAOYSA-N -1 1 386.433 3.738 20 5 GHBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186082847 864265529 /nfs/dbraw/zinc/26/55/29/864265529.db2.gz UQNLPXVVPJSLFR-UHFFFAOYSA-N -1 1 393.787 3.862 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000742346873 867243987 /nfs/dbraw/zinc/24/39/87/867243987.db2.gz LKMJVROVGIJTDE-VIFPVBQESA-N -1 1 390.795 3.608 20 5 GHBDMM CCOc1cc(CSc2nc([O-])cc(=O)n2C2CCCC2)ccc1[N+](=O)[O-] ZINC000618143988 871346920 /nfs/dbraw/zinc/34/69/20/871346920.db2.gz NJCBJRKEQHOIIG-UHFFFAOYSA-N -1 1 391.449 3.663 20 5 GHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000619466279 872661441 /nfs/dbraw/zinc/66/14/41/872661441.db2.gz HMYGSWYPMVLWNR-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM Cc1ccnc(-c2cccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)n1 ZINC000541188337 873118605 /nfs/dbraw/zinc/11/86/05/873118605.db2.gz AVEVMNCKGPVWGI-UHFFFAOYSA-N -1 1 390.446 3.569 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc([N+](=O)[O-])c1F ZINC000768268259 873200346 /nfs/dbraw/zinc/20/03/46/873200346.db2.gz GAMWTSGGUSRKQB-UHFFFAOYSA-N -1 1 393.421 3.967 20 5 GHBDMM CSCCc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000768269142 873200779 /nfs/dbraw/zinc/20/07/79/873200779.db2.gz FJHOUIQWDDNXAZ-UHFFFAOYSA-N -1 1 384.454 3.749 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000451054435 877286006 /nfs/dbraw/zinc/28/60/06/877286006.db2.gz LBEYVAUGRVXGCF-OAHLLOKOSA-N -1 1 376.434 3.516 20 5 GHBDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc21 ZINC000460826609 878633575 /nfs/dbraw/zinc/63/35/75/878633575.db2.gz CCZFOKVYZJULKO-UHFFFAOYSA-N -1 1 389.433 3.769 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1Cl ZINC000790341694 879641858 /nfs/dbraw/zinc/64/18/58/879641858.db2.gz PQCCCTKTHMYMOD-UHFFFAOYSA-N -1 1 396.730 3.790 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000776785807 880255560 /nfs/dbraw/zinc/25/55/60/880255560.db2.gz QDKMISGHFZNKJB-VIFPVBQESA-N -1 1 397.865 3.897 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000609543499 883336194 /nfs/dbraw/zinc/33/61/94/883336194.db2.gz OPXVXCPCGPXZTM-DZGCQCFKSA-N -1 1 380.853 3.863 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000609657747 883497112 /nfs/dbraw/zinc/49/71/12/883497112.db2.gz OZTYVJGVZYLFIM-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006328799 884760972 /nfs/dbraw/zinc/76/09/72/884760972.db2.gz HIQOFJDJSNTGSA-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000476401129 885585330 /nfs/dbraw/zinc/58/53/30/885585330.db2.gz ZRLUZLJYZONJTH-UHFFFAOYSA-N -1 1 388.854 3.780 20 5 GHBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1C ZINC000808116557 886028148 /nfs/dbraw/zinc/02/81/48/886028148.db2.gz ZJKLNXVEDSQQLA-UHFFFAOYSA-N -1 1 384.841 3.983 20 5 GHBDMM CC1(c2nsc([N-]C(=O)c3cccc([N+](=O)[O-])c3Br)n2)CC1 ZINC000863934255 887470311 /nfs/dbraw/zinc/47/03/11/887470311.db2.gz HXKWSGSYISIQFY-UHFFFAOYSA-N -1 1 383.227 3.513 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC001211982710 889730907 /nfs/dbraw/zinc/73/09/07/889730907.db2.gz YXNRSEJOMQGKJF-CQSZACIVSA-N -1 1 380.853 3.720 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1F ZINC000917716928 892424017 /nfs/dbraw/zinc/42/40/17/892424017.db2.gz LPGULUFNBKPTIC-UHFFFAOYSA-N -1 1 380.397 3.856 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814283693 892491484 /nfs/dbraw/zinc/49/14/84/892491484.db2.gz IJDMBNJCDCOTHM-YEORSEQZSA-N -1 1 384.816 3.612 20 5 GHBDMM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)ccc21 ZINC000918151200 893277010 /nfs/dbraw/zinc/27/70/10/893277010.db2.gz ZMVKHSVJLIBTIE-UHFFFAOYSA-N -1 1 396.428 3.623 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC000821111458 897714524 /nfs/dbraw/zinc/71/45/24/897714524.db2.gz LHKNXFIUPUUGID-UHFFFAOYSA-N -1 1 377.205 3.716 20 5 GHBDMM CCC(CC)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001136529398 898173175 /nfs/dbraw/zinc/17/31/75/898173175.db2.gz YIRHVOOIUSXWGQ-UHFFFAOYSA-N -1 1 377.828 3.837 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(Cl)cc1F ZINC000800052503 898539228 /nfs/dbraw/zinc/53/92/28/898539228.db2.gz ZPZVETBDJPUUPE-UHFFFAOYSA-N -1 1 376.768 3.944 20 5 GHBDMM CC1(C)CC[C@@H]2C[C@@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801364 899815684 /nfs/dbraw/zinc/81/56/84/899815684.db2.gz DXMUFQNTRXOXJY-IAQYHMDHSA-N -1 1 391.435 3.882 20 5 GHBDMM CC1(C)CC[C@@H]2C[C@@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801364 899815695 /nfs/dbraw/zinc/81/56/95/899815695.db2.gz DXMUFQNTRXOXJY-IAQYHMDHSA-N -1 1 391.435 3.882 20 5 GHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c([O-])cc(Br)cc1Cl ZINC000576257839 901874317 /nfs/dbraw/zinc/87/43/17/901874317.db2.gz FREKGKLGLUIKNG-UHFFFAOYSA-N -1 1 385.601 3.898 20 5 GHBDMM CSc1nc(C)c(CCC(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)c(=O)[n-]1 ZINC000265374692 903849247 /nfs/dbraw/zinc/84/92/47/903849247.db2.gz HJWNGDIAKABXCA-UHFFFAOYSA-N -1 1 397.840 3.621 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000191566748 907082707 /nfs/dbraw/zinc/08/27/07/907082707.db2.gz PZMPZXOMXIFULY-UHFFFAOYSA-N -1 1 386.376 3.656 20 5 GHBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001176988553 908347794 /nfs/dbraw/zinc/34/77/94/908347794.db2.gz NYGQDAINWQOAHF-UHFFFAOYSA-N -1 1 385.601 3.646 20 5 GHBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(OCc3ccc(F)cc3)ccc2F)no1 ZINC001212893205 911370193 /nfs/dbraw/zinc/37/01/93/911370193.db2.gz RJQPKVNHBKYPNR-UHFFFAOYSA-N -1 1 399.313 3.892 20 5 GHBDMM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001187072463 915003977 /nfs/dbraw/zinc/00/39/77/915003977.db2.gz PTGVZGUTOLLIOH-UHFFFAOYSA-N -1 1 397.266 3.744 20 5 GHBDMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001187875760 915600534 /nfs/dbraw/zinc/60/05/34/915600534.db2.gz SBCMYOPRTCYERU-CMPLNLGQSA-N -1 1 399.321 3.854 20 5 GHBDMM CC(C)Oc1ccccc1-c1noc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212972582 916160744 /nfs/dbraw/zinc/16/07/44/916160744.db2.gz FGRLPNGEQJLVJI-UHFFFAOYSA-N -1 1 383.286 3.841 20 5 GHBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001189587707 916761147 /nfs/dbraw/zinc/76/11/47/916761147.db2.gz NVMMPYIEECOTLZ-QGZVFWFLSA-N -1 1 391.493 3.963 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1C ZINC000007323198 919061963 /nfs/dbraw/zinc/06/19/63/919061963.db2.gz HAVUNKYMKZGJQT-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000748640070 923767059 /nfs/dbraw/zinc/76/70/59/923767059.db2.gz NWTMFEYYWPDHGB-UHFFFAOYSA-N -1 1 393.421 3.581 20 5 GHBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OC ZINC000725821334 926458294 /nfs/dbraw/zinc/45/82/94/926458294.db2.gz CBSOWPNXWFNYFD-ZDUSSCGKSA-N -1 1 384.841 3.686 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000544644979 929383452 /nfs/dbraw/zinc/38/34/52/929383452.db2.gz IDTDCIZAMUUQCH-UHFFFAOYSA-N -1 1 392.767 3.995 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000758410236 930036939 /nfs/dbraw/zinc/03/69/39/930036939.db2.gz ZGORYLLLWINFRQ-UHFFFAOYSA-N -1 1 398.853 3.671 20 5 GHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c1 ZINC000469896877 930242534 /nfs/dbraw/zinc/24/25/34/930242534.db2.gz JVEAOXHAYSQEIS-UHFFFAOYSA-N -1 1 388.380 3.822 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000777595309 932129674 /nfs/dbraw/zinc/12/96/74/932129674.db2.gz FQHKPSOUGPRLMZ-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000797840442 932426470 /nfs/dbraw/zinc/42/64/70/932426470.db2.gz MUJHPAHDPRWZFQ-AULYBMBSSA-N -1 1 384.816 3.612 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2ccc3ccccc3n2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820139832 1014954080 /nfs/dbraw/zinc/95/40/80/1014954080.db2.gz RWTHNTXCFRQTLE-UHFFFAOYSA-N -1 1 394.778 3.834 20 5 GHBDMM CCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OCC ZINC001597074746 986601573 /nfs/dbraw/zinc/60/15/73/986601573.db2.gz SAKZAMANFAGRQT-ZDUSSCGKSA-N -1 1 388.420 3.941 20 5 GHBDMM CCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OCC ZINC001597074745 986601944 /nfs/dbraw/zinc/60/19/44/986601944.db2.gz SAKZAMANFAGRQT-CYBMUJFWSA-N -1 1 388.420 3.941 20 5 GHBDMM CSc1ccc([C@H](C)NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001599821217 988517190 /nfs/dbraw/zinc/51/71/90/988517190.db2.gz ORACYVBRGGGBHR-LBPRGKRZSA-N -1 1 376.434 3.631 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1CN(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001599462105 998291088 /nfs/dbraw/zinc/29/10/88/998291088.db2.gz JGCSMFHWUUJYSR-UHFFFAOYSA-N -1 1 398.337 3.709 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227309388 1032366708 /nfs/dbraw/zinc/36/67/08/1032366708.db2.gz KTMZTEJJEIWKRV-CHWSQXEVSA-N -1 1 398.411 3.858 20 5 GHBDMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001227715443 1032526848 /nfs/dbraw/zinc/52/68/48/1032526848.db2.gz AZMIKFWVOCZRGK-KZULUSFZSA-N -1 1 379.372 3.850 20 5 GHBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000754838302 1022924531 /nfs/dbraw/zinc/92/45/31/1022924531.db2.gz DXHXJDPYXRQKKS-UHFFFAOYSA-N -1 1 396.787 3.578 20 5 GHBDMM COC(=O)c1cnc([N-][C@H](c2ccccc2OC)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001162900287 1025959674 /nfs/dbraw/zinc/95/96/74/1025959674.db2.gz YKFJTVAVJVLTNB-CYBMUJFWSA-N -1 1 385.298 3.501 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)ccc1[O-] ZINC001210394132 1027486152 /nfs/dbraw/zinc/48/61/52/1027486152.db2.gz OXWDWRAFJPOJHK-LBPRGKRZSA-N -1 1 390.787 3.536 20 5 GHBDMM Cc1cc([O-])c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1Br ZINC001216945424 1030019562 /nfs/dbraw/zinc/01/95/62/1030019562.db2.gz YXMJEJHHWKULFA-UHFFFAOYSA-N -1 1 395.144 3.622 20 5 GHBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001149656950 1030258055 /nfs/dbraw/zinc/25/80/55/1030258055.db2.gz ADETZWOUSGDMOE-HNNXBMFYSA-N -1 1 380.404 3.694 20 5 GHBDMM CCOC(=O)c1cccc([C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C(F)(F)F)c1 ZINC001225663213 1031526792 /nfs/dbraw/zinc/52/67/92/1031526792.db2.gz AAAWRVXNKPJALK-CYBMUJFWSA-N -1 1 386.282 3.555 20 5 GHBDMM CCOC(=O)c1cccc([C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C(F)(F)F)c1 ZINC001225663213 1031526804 /nfs/dbraw/zinc/52/68/04/1031526804.db2.gz AAAWRVXNKPJALK-CYBMUJFWSA-N -1 1 386.282 3.555 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229397747 1033456630 /nfs/dbraw/zinc/45/66/30/1033456630.db2.gz LGYRKENPRDJKDC-LPHOPBHVSA-N -1 1 378.425 3.859 20 5 GHBDMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398631 1033458303 /nfs/dbraw/zinc/45/83/03/1033458303.db2.gz WUBCQTGKMKHREZ-IVMMDQJWSA-N -1 1 378.425 3.715 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCOc3ccc(Br)cc32)n1 ZINC001231260542 1034489556 /nfs/dbraw/zinc/48/95/56/1034489556.db2.gz UAFYLZZNLHPBFE-ZDUSSCGKSA-N -1 1 381.182 3.669 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 ZINC001231263545 1034491089 /nfs/dbraw/zinc/49/10/89/1034491089.db2.gz KRXDGIWTZJZKSK-LBPRGKRZSA-N -1 1 381.429 3.561 20 5 GHBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(=O)OCc1ccccc1 ZINC001233505689 1039396866 /nfs/dbraw/zinc/39/68/66/1039396866.db2.gz DDPMBUWKVWUSSQ-JTQLQIEISA-N -1 1 375.768 3.635 20 5 GHBDMM COc1ccccc1OC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233506693 1039398684 /nfs/dbraw/zinc/39/86/84/1039398684.db2.gz QDTHFVHSQISHHA-JTQLQIEISA-N -1 1 377.784 3.979 20 5 GHBDMM O=C(Cc1ccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)cc1)c1ccc([O-])cc1 ZINC001233941236 1039717235 /nfs/dbraw/zinc/71/72/35/1039717235.db2.gz JGTMCMIUPPAIDS-NRFANRHFSA-N -1 1 378.384 3.609 20 5 GHBDMM C[C@@H](COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)Oc1ccccc1 ZINC001234123684 1039864649 /nfs/dbraw/zinc/86/46/49/1039864649.db2.gz GNCHXTKRJCIINK-LBPRGKRZSA-N -1 1 394.379 3.909 20 5 GHBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3CCc4cccnc43)c12 ZINC001234124809 1039867444 /nfs/dbraw/zinc/86/74/44/1039867444.db2.gz LLAMSXVTBVSLJQ-AWEZNQCLSA-N -1 1 377.352 3.524 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@@H]3CC[C@]4(CCCCO4)O3)c12 ZINC001234741665 1040269208 /nfs/dbraw/zinc/26/92/08/1040269208.db2.gz KQDIVSJWGPIOOO-FPTDNZKUSA-N -1 1 398.411 3.812 20 5 GHBDMM C[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1cccnc1F ZINC001234751523 1040280697 /nfs/dbraw/zinc/28/06/97/1040280697.db2.gz WLSPDHWKCLMEPV-VIFPVBQESA-N -1 1 383.331 3.737 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H]4CC=C(OC)CC4)cc3c(=O)c12 ZINC001234795492 1040326672 /nfs/dbraw/zinc/32/66/72/1040326672.db2.gz FPLAIEYSEQGAFS-CYBMUJFWSA-N -1 1 384.384 3.828 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)c4ccncc4)cc3c(=O)c12 ZINC001234798191 1040327417 /nfs/dbraw/zinc/32/74/17/1040327417.db2.gz GMHUEAWXXVQVQH-NSHDSACASA-N -1 1 379.368 3.901 20 5 GHBDMM CCC[C@H](CC(=O)OCC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878809 1040393228 /nfs/dbraw/zinc/39/32/28/1040393228.db2.gz XYINYASCPZNRKD-SNVBAGLBSA-N -1 1 376.203 3.564 20 5 GHBDMM C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309191003 1050451290 /nfs/dbraw/zinc/45/12/90/1050451290.db2.gz QTXXOHVDNHXKDN-QWRGUYRKSA-N -1 1 378.853 3.882 20 5 GHBDMM O=C([N-]Cc1ccc(OC(F)F)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001438529858 1064064340 /nfs/dbraw/zinc/06/43/40/1064064340.db2.gz UWQDLJOWPWLRPY-UHFFFAOYSA-N -1 1 390.264 3.744 20 5 GHBDMM Cc1cccc(C)c1OC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC001466074313 1065974738 /nfs/dbraw/zinc/97/47/38/1065974738.db2.gz ZZOPYDRLMLOXTN-INIZCTEOSA-N -1 1 387.436 3.536 20 5 GHBDMM O=C([N-]CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)C(F)(F)F ZINC001460652437 1069058788 /nfs/dbraw/zinc/05/87/88/1069058788.db2.gz QWSZPPGTUASLAD-CQSZACIVSA-N -1 1 393.365 3.767 20 5 GHBDMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001475052993 1074712039 /nfs/dbraw/zinc/71/20/39/1074712039.db2.gz BFFTUAHAPXIHSC-ZJUUUORDSA-N -1 1 396.893 3.730 20 5 GHBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000832341119 601973298 /nfs/dbraw/zinc/97/32/98/601973298.db2.gz JBPVZRKRFKTELO-OAHLLOKOSA-N -1 1 385.203 3.826 20 5 GHBDMM Cc1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569367072 604462522 /nfs/dbraw/zinc/46/25/22/604462522.db2.gz YGWHABQCDQZGLM-INIZCTEOSA-N -1 1 393.403 3.728 20 5 GHBDMM Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569367072 604462526 /nfs/dbraw/zinc/46/25/26/604462526.db2.gz YGWHABQCDQZGLM-INIZCTEOSA-N -1 1 393.403 3.728 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1ccc(Cl)cc1Cl ZINC000823625545 606715989 /nfs/dbraw/zinc/71/59/89/606715989.db2.gz YDNRPJRRRSLVAE-UHFFFAOYSA-N -1 1 394.222 3.521 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1ccc(Cl)cc1Cl ZINC000823625545 606715991 /nfs/dbraw/zinc/71/59/91/606715991.db2.gz YDNRPJRRRSLVAE-UHFFFAOYSA-N -1 1 394.222 3.521 20 5 GHBDMM CC(C)c1ccc2c(c1)[C@@H](Nc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CCC2 ZINC000824348096 608099042 /nfs/dbraw/zinc/09/90/42/608099042.db2.gz ZGLLUMARDHDALR-INIZCTEOSA-N -1 1 379.424 3.783 20 5 GHBDMM CC(C)c1ccc2c(c1)[C@@H](Nc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CCC2 ZINC000824348096 608099043 /nfs/dbraw/zinc/09/90/43/608099043.db2.gz ZGLLUMARDHDALR-INIZCTEOSA-N -1 1 379.424 3.783 20 5 GHBDMM CCOc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000548925966 836159145 /nfs/dbraw/zinc/15/91/45/836159145.db2.gz SCBURMPVEXBNLH-UHFFFAOYSA-N -1 1 378.812 3.667 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1[N+](=O)[O-] ZINC000047417251 844337612 /nfs/dbraw/zinc/33/76/12/844337612.db2.gz WFVGTISCNTULGO-UHFFFAOYSA-N -1 1 375.431 3.828 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167935460 844742890 /nfs/dbraw/zinc/74/28/90/844742890.db2.gz AEJMZBBRPBIOPG-UHFFFAOYSA-N -1 1 376.349 3.605 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000512766257 845464135 /nfs/dbraw/zinc/46/41/35/845464135.db2.gz DHGYACFOBGKVAM-MRXNPFEDSA-N -1 1 388.470 3.919 20 5 GHBDMM O=C([N-]c1nnc(C(F)F)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050345668 847626883 /nfs/dbraw/zinc/62/68/83/847626883.db2.gz IUTXERLCAXBQKQ-UHFFFAOYSA-N -1 1 383.361 3.760 20 5 GHBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC001211567119 849117853 /nfs/dbraw/zinc/11/78/53/849117853.db2.gz QHJPOFPEGWEEDH-OAHLLOKOSA-N -1 1 380.441 3.527 20 5 GHBDMM COc1cccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c1[N+](=O)[O-] ZINC000435536580 850624345 /nfs/dbraw/zinc/62/43/45/850624345.db2.gz ATMCPOLRYOOIMW-UHFFFAOYSA-N -1 1 384.417 3.991 20 5 GHBDMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000732306789 862186883 /nfs/dbraw/zinc/18/68/83/862186883.db2.gz VTADVTLZDTZPDQ-UHFFFAOYSA-N -1 1 388.710 3.816 20 5 GHBDMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000488238462 851301321 /nfs/dbraw/zinc/30/13/21/851301321.db2.gz NISOICMMQROYBH-CHWSQXEVSA-N -1 1 384.436 3.602 20 5 GHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000488946122 851893671 /nfs/dbraw/zinc/89/36/71/851893671.db2.gz REVAHGJGSAOWCO-UHFFFAOYSA-N -1 1 389.271 3.526 20 5 GHBDMM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000473817077 852151356 /nfs/dbraw/zinc/15/13/56/852151356.db2.gz IFINSOPRIDMJJR-UHFFFAOYSA-N -1 1 389.839 3.933 20 5 GHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438305270 852240484 /nfs/dbraw/zinc/24/04/84/852240484.db2.gz MGQXKKZVHATOGK-UHFFFAOYSA-N -1 1 392.293 3.962 20 5 GHBDMM C[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000517091248 853352581 /nfs/dbraw/zinc/35/25/81/853352581.db2.gz TYDVGXKFPLDNNW-BBRMVZONSA-N -1 1 375.450 3.996 20 5 GHBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473907230 854230898 /nfs/dbraw/zinc/23/08/98/854230898.db2.gz APIOTBHXNYEENP-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1cccnc1 ZINC000057126351 855237652 /nfs/dbraw/zinc/23/76/52/855237652.db2.gz VYXFKHJPAXJDLR-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1csc(Sc2ccc(C(=O)Nc3c(C)[n-][nH]c3=O)cc2[N+](=O)[O-])n1 ZINC000590396716 855389171 /nfs/dbraw/zinc/38/91/71/855389171.db2.gz YRHUVFWBKNASIV-UHFFFAOYSA-N -1 1 391.434 3.500 20 5 GHBDMM COc1ccc(C2(c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)CCCC2)cc1OC ZINC000445826836 856740098 /nfs/dbraw/zinc/74/00/98/856740098.db2.gz LCZVPGCRXSRXOZ-UHFFFAOYSA-N -1 1 384.392 3.850 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c2ncccc12 ZINC000442238031 857642151 /nfs/dbraw/zinc/64/21/51/857642151.db2.gz ZAAUIZMKPHWITR-UHFFFAOYSA-N -1 1 399.762 3.875 20 5 GHBDMM COc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(Cl)c1[O-] ZINC000443074395 858350763 /nfs/dbraw/zinc/35/07/63/858350763.db2.gz QTBCGKYISHCVOJ-UHFFFAOYSA-N -1 1 376.796 3.767 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000509620212 859010017 /nfs/dbraw/zinc/01/00/17/859010017.db2.gz ODADRYQCFYGWPA-UHFFFAOYSA-N -1 1 396.424 3.935 20 5 GHBDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000317326868 859479785 /nfs/dbraw/zinc/47/97/85/859479785.db2.gz DDZLSHBYJHQDLD-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)oc1C ZINC000060554365 859510188 /nfs/dbraw/zinc/51/01/88/859510188.db2.gz CVPNRVLRLUOKFF-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001212187788 860918262 /nfs/dbraw/zinc/91/82/62/860918262.db2.gz HFQXYSANEHTZII-SFHVURJKSA-N -1 1 394.880 3.938 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361827 861061131 /nfs/dbraw/zinc/06/11/31/861061131.db2.gz IJZRCWIJBHJHAT-UHFFFAOYSA-N -1 1 399.186 3.711 20 5 GHBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134498 866138410 /nfs/dbraw/zinc/13/84/10/866138410.db2.gz GTPUUHZELRAXKJ-OAHLLOKOSA-N -1 1 398.463 3.716 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000744491291 868860764 /nfs/dbraw/zinc/86/07/64/868860764.db2.gz KQYNUPICFMBYBV-UHFFFAOYSA-N -1 1 398.415 3.503 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000744497664 868884619 /nfs/dbraw/zinc/88/46/19/868884619.db2.gz OMKJWLHZOBBZGU-CYBMUJFWSA-N -1 1 389.429 3.770 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000744562166 868936416 /nfs/dbraw/zinc/93/64/16/868936416.db2.gz HJBRWUFKFRCTAK-UHFFFAOYSA-N -1 1 398.415 3.503 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494612246 882618085 /nfs/dbraw/zinc/61/80/85/882618085.db2.gz AOYHZRKFGDYHPR-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000464643362 874221083 /nfs/dbraw/zinc/22/10/83/874221083.db2.gz MQZQVYXVHYGAJN-UHFFFAOYSA-N -1 1 385.689 3.562 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC(CF)CC1 ZINC000450685132 876766090 /nfs/dbraw/zinc/76/60/90/876766090.db2.gz KMDQXDRVXWOAHE-UHFFFAOYSA-N -1 1 393.440 3.582 20 5 GHBDMM CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000610036020 877353219 /nfs/dbraw/zinc/35/32/19/877353219.db2.gz VIWUQAUXCBCMDW-UHFFFAOYSA-N -1 1 389.256 3.573 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1C(F)(F)F ZINC000789071276 878583944 /nfs/dbraw/zinc/58/39/44/878583944.db2.gz LQSFVPINFMBQJX-SECBINFHSA-N -1 1 383.278 3.747 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1 ZINC000790382072 879651232 /nfs/dbraw/zinc/65/12/32/879651232.db2.gz LADQYYJFPNAHHT-UHFFFAOYSA-N -1 1 379.394 3.537 20 5 GHBDMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461394182 879728343 /nfs/dbraw/zinc/72/83/43/879728343.db2.gz HGLHFKJSQJASSO-UHFFFAOYSA-N -1 1 399.790 3.537 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1F ZINC000790465427 879770945 /nfs/dbraw/zinc/77/09/45/879770945.db2.gz ULJSBWNURCKNDU-UHFFFAOYSA-N -1 1 390.371 3.876 20 5 GHBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1[O-] ZINC000804901697 883466010 /nfs/dbraw/zinc/46/60/10/883466010.db2.gz LRQPRPWOQIFPOS-UHFFFAOYSA-N -1 1 385.159 3.646 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1F ZINC000760366046 884020150 /nfs/dbraw/zinc/02/01/50/884020150.db2.gz RPMTXQHDSWSRHO-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000475824023 884303042 /nfs/dbraw/zinc/30/30/42/884303042.db2.gz HBFVHVMGVLPMEZ-UHFFFAOYSA-N -1 1 395.337 3.734 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)cc1Cl ZINC000809842072 887859482 /nfs/dbraw/zinc/85/94/82/887859482.db2.gz AEVFFAHYHYHVKL-HAQNSBGRSA-N -1 1 384.816 3.612 20 5 GHBDMM Cc1c(CC(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000533841143 893189728 /nfs/dbraw/zinc/18/97/28/893189728.db2.gz WLXHNKFDKYGKST-UHFFFAOYSA-N -1 1 376.825 3.611 20 5 GHBDMM O=C([N-]Cc1ccc(OC(F)F)c(F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000818528597 896178303 /nfs/dbraw/zinc/17/83/03/896178303.db2.gz YVFFSBLNWKWGEX-UHFFFAOYSA-N -1 1 390.264 3.744 20 5 GHBDMM O=C([O-])c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000567172992 896935108 /nfs/dbraw/zinc/93/51/08/896935108.db2.gz INGRIXMVOBGSKC-UHFFFAOYSA-N -1 1 390.823 3.990 20 5 GHBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCCOCc2ccccc2)ccc1Cl ZINC000821124562 897725380 /nfs/dbraw/zinc/72/53/80/897725380.db2.gz YXRVDKXNVQQDSM-UHFFFAOYSA-N -1 1 384.841 3.597 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1F ZINC001187676185 915433759 /nfs/dbraw/zinc/43/37/59/915433759.db2.gz XTQDRDZVBBMFNF-YPMLDQLKSA-N -1 1 396.415 3.783 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC001187801362 915522159 /nfs/dbraw/zinc/52/21/59/915522159.db2.gz RCUGOOJPUZUAJV-WDEREUQCSA-N -1 1 398.378 3.689 20 5 GHBDMM Cn1ccc2cc(-c3noc(-c4n[n-]c(C(F)(F)F)c4[N+](=O)[O-])n3)ccc21 ZINC001212972227 916162264 /nfs/dbraw/zinc/16/22/64/916162264.db2.gz HPKWJJRVMDFHAJ-UHFFFAOYSA-N -1 1 378.270 3.545 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc(OC4CC4)cc3)no2)n[n-]c1C(F)(F)F ZINC001212973196 916167698 /nfs/dbraw/zinc/16/76/98/916167698.db2.gz UVZMVKLEVRMXGU-UHFFFAOYSA-N -1 1 381.270 3.595 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000544640047 929376645 /nfs/dbraw/zinc/37/66/45/929376645.db2.gz MONIGVJUEJOHQE-UHFFFAOYSA-N -1 1 390.446 3.531 20 5 GHBDMM O=C([O-])CC[C@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001595012463 951260071 /nfs/dbraw/zinc/26/00/71/951260071.db2.gz ICBRZDPESPNMPW-GFCCVEGCSA-N -1 1 394.815 3.518 20 5 GHBDMM C[C@@](CC(=O)[O-])(NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 ZINC001592328619 977749038 /nfs/dbraw/zinc/74/90/38/977749038.db2.gz NIHAVXLHYBSBTA-FQEVSTJZSA-N -1 1 381.388 3.730 20 5 GHBDMM CC[C@@](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305241 980443450 /nfs/dbraw/zinc/44/34/50/980443450.db2.gz FNNZEHKYPJXNLS-SFHVURJKSA-N -1 1 388.811 3.604 20 5 GHBDMM COc1cc(CN[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c([N+](=O)[O-])cc1F ZINC001599416238 997517325 /nfs/dbraw/zinc/51/73/25/997517325.db2.gz PXONCMPXAWOKRX-MPBGBICISA-N -1 1 388.395 3.710 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000755824525 1023392563 /nfs/dbraw/zinc/39/25/63/1023392563.db2.gz SFHVXYVSCOOQKV-UHFFFAOYSA-N -1 1 379.710 3.564 20 5 GHBDMM O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c([N-]c3ccn(C4CCCCC4)n3)c2c1 ZINC001163184209 1026081714 /nfs/dbraw/zinc/08/17/14/1026081714.db2.gz CMUYPCLQWXNWCL-UHFFFAOYSA-N -1 1 382.380 3.918 20 5 GHBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1-c1cccc(C(F)(F)F)c1 ZINC001164503412 1026537142 /nfs/dbraw/zinc/53/71/42/1026537142.db2.gz FRYLSOASCJFCQO-UHFFFAOYSA-N -1 1 379.298 3.688 20 5 GHBDMM Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1C1CC1 ZINC001166632251 1027045232 /nfs/dbraw/zinc/04/52/32/1027045232.db2.gz ULALULCFSHOPER-UHFFFAOYSA-N -1 1 394.840 3.660 20 5 GHBDMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC001209846121 1027239126 /nfs/dbraw/zinc/23/91/26/1027239126.db2.gz XZYXTANBILWWSA-MRVPVSSYSA-N -1 1 392.861 3.667 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC001210319014 1027447616 /nfs/dbraw/zinc/44/76/16/1027447616.db2.gz HHAWRMWIWAKSLV-GXFFZTMASA-N -1 1 376.837 3.634 20 5 GHBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1[N+](=O)[O-] ZINC001213447108 1028197150 /nfs/dbraw/zinc/19/71/50/1028197150.db2.gz WIYGBBGKQAUJBO-UHFFFAOYSA-N -1 1 381.262 3.750 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2C=CCC2)c1Cl ZINC001213585538 1028280260 /nfs/dbraw/zinc/28/02/60/1028280260.db2.gz WQLQBKVMSRGQLK-JTQLQIEISA-N -1 1 379.265 3.926 20 5 GHBDMM O=C([N-]c1nnc(-c2c(F)cccc2F)s1)c1cc([N+](=O)[O-])ccc1F ZINC001151059452 1030759874 /nfs/dbraw/zinc/75/98/74/1030759874.db2.gz JTKSXWYCSRCAAH-UHFFFAOYSA-N -1 1 380.307 3.783 20 5 GHBDMM CC(C)Oc1ccc(COc2[n-]ccc(=O)c2[N+](=O)[O-])cc1Br ZINC001225664533 1031528690 /nfs/dbraw/zinc/52/86/90/1031528690.db2.gz QGLVSWQKEWGBDJ-UHFFFAOYSA-N -1 1 383.198 3.824 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001226310944 1031911739 /nfs/dbraw/zinc/91/17/39/1031911739.db2.gz RUGSXZRVGSYJGG-ZBFHGGJFSA-N -1 1 386.404 3.977 20 5 GHBDMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001208050914 1034717872 /nfs/dbraw/zinc/71/78/72/1034717872.db2.gz PWTHMMHGVOHNTB-UHFFFAOYSA-N -1 1 393.403 3.683 20 5 GHBDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccc([N+](=O)[O-])cc1Cl ZINC001248611843 1035989079 /nfs/dbraw/zinc/98/90/79/1035989079.db2.gz VASLADAOXYIHAB-UHFFFAOYSA-N -1 1 380.813 3.609 20 5 GHBDMM C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1cccnc1F ZINC001234125452 1039868705 /nfs/dbraw/zinc/86/87/05/1039868705.db2.gz REPSEIMKFZUQBZ-VIFPVBQESA-N -1 1 383.331 3.737 20 5 GHBDMM CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(OC2CC(=O)C2)c1[O-] ZINC001234330934 1039971977 /nfs/dbraw/zinc/97/19/77/1039971977.db2.gz LEGUUDJYEMCZSX-UHFFFAOYSA-N -1 1 396.395 3.682 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)c4cnn(C)c4C)cc([O-])cc3oc21 ZINC001234748378 1040274051 /nfs/dbraw/zinc/27/40/51/1040274051.db2.gz HKRMKUBVCWFPGR-LLVKDONJSA-N -1 1 396.399 3.548 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H]4CCCC[C@@H]4OC)cc([O-])cc3oc21 ZINC001234751819 1040280441 /nfs/dbraw/zinc/28/04/41/1040280441.db2.gz QNGZBIDUVLROBM-GJZGRUSLSA-N -1 1 386.400 3.702 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H]4CCC(F)(F)C4)cc3c(=O)c12 ZINC001234795993 1040326475 /nfs/dbraw/zinc/32/64/75/1040326475.db2.gz 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ncc(Br)cc1[O-] ZINC001308616027 1050033762 /nfs/dbraw/zinc/03/37/62/1050033762.db2.gz OKVWJHVWVWYYJR-UHFFFAOYSA-N -1 1 380.242 3.869 20 5 GHBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001309450646 1050728426 /nfs/dbraw/zinc/72/84/26/1050728426.db2.gz PPUUWHQWIAFYDO-JMCQJSRRSA-N -1 1 388.795 3.812 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C2CC2)cc1F ZINC001309530709 1050787614 /nfs/dbraw/zinc/78/76/14/1050787614.db2.gz IQNCBUWBAHJYBT-HNNXBMFYSA-N -1 1 378.425 3.514 20 5 GHBDMM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309654287 1050901351 /nfs/dbraw/zinc/90/13/51/1050901351.db2.gz XALBKCBAPZCMAX-SMDDNHRTSA-N -1 1 384.816 3.530 20 5 GHBDMM CC(C)(C)OC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001309742001 1050950989 /nfs/dbraw/zinc/95/09/89/1050950989.db2.gz YJNJRUUFVWBCLW-UHFFFAOYSA-N -1 1 390.889 3.653 20 5 GHBDMM 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CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001468235210 1067643344 /nfs/dbraw/zinc/64/33/44/1067643344.db2.gz OLUMYELEJIGUDY-UHFFFAOYSA-N -1 1 385.355 3.857 20 5 GHBDMM CN(CCCCCCNC(=O)OC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001473776829 1074136502 /nfs/dbraw/zinc/13/65/02/1074136502.db2.gz TUQSEHMVJOUUOF-UHFFFAOYSA-N -1 1 381.473 3.817 20 5 GHBDMM COc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001475065431 1074719323 /nfs/dbraw/zinc/71/93/23/1074719323.db2.gz OBXYIHBMLHNLAD-CQSZACIVSA-N -1 1 384.479 3.731 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CCC(F)CC2)c1Cl ZINC001475453497 1074880740 /nfs/dbraw/zinc/88/07/40/1074880740.db2.gz SVIJROHDDGHUTI-UHFFFAOYSA-N -1 1 385.244 3.708 20 5 GHBDMM O=C([O-])c1cc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000833300454 601685604 /nfs/dbraw/zinc/68/56/04/601685604.db2.gz NZYZSUUCRZKBQF-UHFFFAOYSA-N -1 1 386.751 3.589 20 5 GHBDMM O=C([O-])NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 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COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2sccc2C)ns1 ZINC000131879217 857209360 /nfs/dbraw/zinc/20/93/60/857209360.db2.gz ZNOFHMUWQFHDFD-UHFFFAOYSA-N -1 1 376.419 3.744 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594486257 858188550 /nfs/dbraw/zinc/18/85/50/858188550.db2.gz FCKBJKIZXONOTK-SECBINFHSA-N -1 1 382.816 3.741 20 5 GHBDMM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428877391 860149969 /nfs/dbraw/zinc/14/99/69/860149969.db2.gz AQSMPXRWCYXBKS-LBPRGKRZSA-N -1 1 379.800 3.777 20 5 GHBDMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000730358974 861053923 /nfs/dbraw/zinc/05/39/23/861053923.db2.gz GEONOPDPGKSWBE-QMMMGPOBSA-N -1 1 399.186 3.791 20 5 GHBDMM CN(CCCOc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740534 861151055 /nfs/dbraw/zinc/15/10/55/861151055.db2.gz ONIPGFYBRZXJRC-UHFFFAOYSA-N -1 1 378.812 3.847 20 5 GHBDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])[nH]n2)cc1C 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Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788216320 877923662 /nfs/dbraw/zinc/92/36/62/877923662.db2.gz HXNWIJMINOMXSU-UHFFFAOYSA-N -1 1 386.861 3.518 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000790349909 879619454 /nfs/dbraw/zinc/61/94/54/879619454.db2.gz YIKDVCDRBQSVLV-UHFFFAOYSA-N -1 1 392.861 3.750 20 5 GHBDMM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000537518855 884965253 /nfs/dbraw/zinc/96/52/53/884965253.db2.gz NQDONHIEWREDMY-UHFFFAOYSA-N -1 1 389.359 3.876 20 5 GHBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1C ZINC000808125838 886001504 /nfs/dbraw/zinc/00/15/04/886001504.db2.gz CGFGIZGJYQOSSM-UHFFFAOYSA-N -1 1 388.804 3.814 20 5 GHBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809821990 887876953 /nfs/dbraw/zinc/87/69/53/887876953.db2.gz BQCWYQVQKMJRKL-MRVPVSSYSA-N -1 1 387.310 3.712 20 5 GHBDMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001132550612 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O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c1Cl ZINC001189549784 916710374 /nfs/dbraw/zinc/71/03/74/916710374.db2.gz AHQWBHATQMHVDJ-CMPLNLGQSA-N -1 1 387.244 3.736 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000364284552 919298798 /nfs/dbraw/zinc/29/87/98/919298798.db2.gz KFVJRETWRPVFBI-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000800929777 920614307 /nfs/dbraw/zinc/61/43/07/920614307.db2.gz PPEZBVYOBRMMDH-UHFFFAOYSA-N -1 1 382.266 3.693 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000467396918 929034920 /nfs/dbraw/zinc/03/49/20/929034920.db2.gz OHYDBAJDISRWND-UHFFFAOYSA-N -1 1 398.359 3.601 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000777630449 932615483 /nfs/dbraw/zinc/61/54/83/932615483.db2.gz ZVZGABHQVFPRQZ-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM Cc1cccc([C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398207 958797052 /nfs/dbraw/zinc/79/70/52/958797052.db2.gz UCTDLNCCBDJDAY-OAHLLOKOSA-N -1 1 379.210 3.581 20 5 GHBDMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000836500007 1023035731 /nfs/dbraw/zinc/03/57/31/1023035731.db2.gz HHHBTWZIMFEIEP-AWEZNQCLSA-N -1 1 397.431 3.666 20 5 GHBDMM COc1cccc2c1[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])CCO2 ZINC001228858006 1033139144 /nfs/dbraw/zinc/13/91/44/1033139144.db2.gz AMBQELQUVZZEKQ-LLVKDONJSA-N -1 1 386.282 3.625 20 5 GHBDMM O=C(Nc1ccc([O-])c(F)c1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000837087273 1024006365 /nfs/dbraw/zinc/00/63/65/1024006365.db2.gz UTPUFEJEWODPPQ-UHFFFAOYSA-N -1 1 377.347 3.821 20 5 GHBDMM CCOC(=O)c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC001210394118 1027485940 /nfs/dbraw/zinc/48/59/40/1027485940.db2.gz OOCHFVRSJFKKHK-UHFFFAOYSA-N -1 1 386.339 3.546 20 5 GHBDMM O=[N+]([O-])c1cc(Nc2cnc(Cl)cc2I)ccc1[O-] ZINC001210395909 1027487730 /nfs/dbraw/zinc/48/77/30/1027487730.db2.gz IRIDYVYPCQHPOY-UHFFFAOYSA-N -1 1 391.552 3.697 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(Cc2ccccc2)CCC1 ZINC001210786031 1027651516 /nfs/dbraw/zinc/65/15/16/1027651516.db2.gz HOYWEWJJSRADCB-UHFFFAOYSA-N -1 1 394.880 3.940 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c(Cl)cc1Cl ZINC001213391803 1028159131 /nfs/dbraw/zinc/15/91/31/1028159131.db2.gz XFMZXDBPUKRDFX-JTQLQIEISA-N -1 1 379.265 3.926 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 ZINC001231263541 1034491511 /nfs/dbraw/zinc/49/15/11/1034491511.db2.gz KRXDGIWTZJZKSK-GFCCVEGCSA-N -1 1 381.429 3.561 20 5 GHBDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(C)c1 ZINC001208570298 1034936178 /nfs/dbraw/zinc/93/61/78/1034936178.db2.gz MJWHDZHXIXQNAB-UHFFFAOYSA-N -1 1 386.832 3.791 20 5 GHBDMM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1cc([O-])c(F)cc1F ZINC001160916483 1035092643 /nfs/dbraw/zinc/09/26/43/1035092643.db2.gz JNZACWQODLPXAH-UHFFFAOYSA-N -1 1 387.136 3.522 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@@H]3COc4cscc4O3)c12 ZINC001234742935 1040269654 /nfs/dbraw/zinc/26/96/54/1040269654.db2.gz VYFHHLAANYFEFM-LLVKDONJSA-N -1 1 398.392 3.638 20 5 GHBDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743936 1040270164 /nfs/dbraw/zinc/27/01/64/1040270164.db2.gz HUHWRYNHVIEZLP-GDBMZVCRSA-N -1 1 398.411 3.858 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)c4cnn(C)c4C)cc([O-])cc3oc21 ZINC001234748379 1040274723 /nfs/dbraw/zinc/27/47/23/1040274723.db2.gz HKRMKUBVCWFPGR-NSHDSACASA-N -1 1 396.399 3.548 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(OC4Cc5ccccc5C4)cc3c(=O)c12 ZINC001234800102 1040330762 /nfs/dbraw/zinc/33/07/62/1040330762.db2.gz XYFJKAXJONMWDE-UHFFFAOYSA-N -1 1 390.391 3.912 20 5 GHBDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877614 1040391963 /nfs/dbraw/zinc/39/19/63/1040391963.db2.gz PHFPZMBECVGUAM-MWLCHTKSSA-N -1 1 388.214 3.564 20 5 GHBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc4ccccc4cc3c2)c1 ZINC001260845544 1045709591 /nfs/dbraw/zinc/70/95/91/1045709591.db2.gz YQMZYFZOYNDPRD-UHFFFAOYSA-N -1 1 392.436 3.975 20 5 GHBDMM Cc1ccccc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001463293077 1070968114 /nfs/dbraw/zinc/96/81/14/1070968114.db2.gz KCGHVCXYULZEBK-UHFFFAOYSA-N -1 1 389.260 3.731 20 5 GHBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Br)c([O-])c1 ZINC001320806426 1055968982 /nfs/dbraw/zinc/96/89/82/1055968982.db2.gz ZBYBXAHCHRXLGW-UHFFFAOYSA-N -1 1 390.193 3.725 20 5 GHBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Br)c([O-])c1 ZINC001321816988 1056406635 /nfs/dbraw/zinc/40/66/35/1056406635.db2.gz HWXCZLGKWLBAEL-UHFFFAOYSA-N -1 1 380.198 3.504 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001349950289 1063950179 /nfs/dbraw/zinc/95/01/79/1063950179.db2.gz BNAALWOBVCVUAJ-UHFFFAOYSA-N -1 1 375.287 3.789 20 5 GHBDMM CC1(C)C[C@@]1([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001464149130 1064862468 /nfs/dbraw/zinc/86/24/68/1064862468.db2.gz GYKALPKGSXPEJP-QGZVFWFLSA-N -1 1 398.843 3.991 20 5 GHBDMM C[C@@H](COCC1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001464589541 1065098587 /nfs/dbraw/zinc/09/85/87/1065098587.db2.gz WEESGICNOMDCRA-LBPRGKRZSA-N -1 1 390.889 3.512 20 5 GHBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001465534849 1065697237 /nfs/dbraw/zinc/69/72/37/1065697237.db2.gz VFDNBWYOPOHUHS-SJORKVTESA-N -1 1 391.468 3.676 20 5 GHBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000738008841 599791518 /nfs/dbraw/zinc/79/15/18/599791518.db2.gz RFKBQDRUYCMACB-OAHLLOKOSA-N -1 1 384.310 3.538 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H](c1ccccc1)C1CCCCC1 ZINC000823619884 606698836 /nfs/dbraw/zinc/69/88/36/606698836.db2.gz CNBZQKVETFKHMS-MRXNPFEDSA-N -1 1 379.424 3.903 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H](c1ccccc1)C1CCCCC1 ZINC000823619884 606698837 /nfs/dbraw/zinc/69/88/37/606698837.db2.gz CNBZQKVETFKHMS-MRXNPFEDSA-N -1 1 379.424 3.903 20 5 GHBDMM C[C@H](Cc1c(Cl)cccc1Cl)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824450527 607968406 /nfs/dbraw/zinc/96/84/06/607968406.db2.gz XMYIJKRPUJWHOZ-MRVPVSSYSA-N -1 1 394.222 3.520 20 5 GHBDMM C[C@H](Cc1c(Cl)cccc1Cl)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824450527 607968407 /nfs/dbraw/zinc/96/84/07/607968407.db2.gz XMYIJKRPUJWHOZ-MRVPVSSYSA-N -1 1 394.222 3.520 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000610194478 835003059 /nfs/dbraw/zinc/00/30/59/835003059.db2.gz JXASHPGMTLLQCD-UHFFFAOYSA-N -1 1 380.422 3.582 20 5 GHBDMM COc1ccc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000580581308 837371128 /nfs/dbraw/zinc/37/11/28/837371128.db2.gz IJYLMELWWMYVNR-UHFFFAOYSA-N -1 1 384.432 3.756 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000108247629 841562068 /nfs/dbraw/zinc/56/20/68/841562068.db2.gz KXPNCEDODNPYIS-UHFFFAOYSA-N -1 1 384.417 3.606 20 5 GHBDMM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000432299612 842582290 /nfs/dbraw/zinc/58/22/90/842582290.db2.gz FLGJCXKAJQVOLD-UHFFFAOYSA-N -1 1 390.795 3.838 20 5 GHBDMM Cc1cscc1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001211720397 843704842 /nfs/dbraw/zinc/70/48/42/843704842.db2.gz ZXZYFQFUQOBWJW-UHFFFAOYSA-N -1 1 381.262 3.750 20 5 GHBDMM C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CS1 ZINC000413512584 847626920 /nfs/dbraw/zinc/62/69/20/847626920.db2.gz HXVBQXUMALFHLW-OCCSQVGLSA-N -1 1 393.490 3.702 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000135710887 848409855 /nfs/dbraw/zinc/40/98/55/848409855.db2.gz SQFWVDTUAGMHDZ-UHFFFAOYSA-N -1 1 383.429 3.690 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000504559454 850127620 /nfs/dbraw/zinc/12/76/20/850127620.db2.gz SFFYRAHXTRLMOF-UHFFFAOYSA-N -1 1 376.438 3.830 20 5 GHBDMM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000604446953 862185868 /nfs/dbraw/zinc/18/58/68/862185868.db2.gz LHKJKSLXQBPAMD-SECBINFHSA-N -1 1 392.824 3.528 20 5 GHBDMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000473656474 851446291 /nfs/dbraw/zinc/44/62/91/851446291.db2.gz GQSQABYRLFNZON-UHFFFAOYSA-N -1 1 378.722 3.591 20 5 GHBDMM COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000505468260 851469579 /nfs/dbraw/zinc/46/95/79/851469579.db2.gz JMLZFFXSCVWDAA-UHFFFAOYSA-N -1 1 377.360 3.727 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000055315320 853787263 /nfs/dbraw/zinc/78/72/63/853787263.db2.gz CWYQIIQWCUYJKE-UHFFFAOYSA-N -1 1 388.807 3.689 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2cccc(Br)c2C)cccc1[N+](=O)[O-] ZINC000536458845 856115291 /nfs/dbraw/zinc/11/52/91/856115291.db2.gz IKYOWYDJCLAKAN-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CCC([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC001212505250 858330247 /nfs/dbraw/zinc/33/02/47/858330247.db2.gz ZSRBZJPCZTXNNN-UHFFFAOYSA-N -1 1 376.837 3.634 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000067124834 858439630 /nfs/dbraw/zinc/43/96/30/858439630.db2.gz JEDOSAYIOULOHL-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000483198286 859207744 /nfs/dbraw/zinc/20/77/44/859207744.db2.gz PBEYTJOHLWQHOH-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC[C@H]1CC1(F)F ZINC000598638526 860466606 /nfs/dbraw/zinc/46/66/06/860466606.db2.gz MVYWHFBVRISUJY-LBPRGKRZSA-N -1 1 397.403 3.853 20 5 GHBDMM COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1[N+](=O)[O-] ZINC000124882564 860523271 /nfs/dbraw/zinc/52/32/71/860523271.db2.gz WFGLRTWBLGEFDP-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000730573751 861178782 /nfs/dbraw/zinc/17/87/82/861178782.db2.gz BRBRBJPSZWXFJP-JTQLQIEISA-N -1 1 380.422 3.988 20 5 GHBDMM CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000482452622 863154536 /nfs/dbraw/zinc/15/45/36/863154536.db2.gz NKMMYMGJWXXZBQ-UHFFFAOYSA-N -1 1 375.812 3.543 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000734001088 863913203 /nfs/dbraw/zinc/91/32/03/863913203.db2.gz IAEWXLCVIRBHNT-SECBINFHSA-N -1 1 378.834 3.878 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000554644326 864665798 /nfs/dbraw/zinc/66/57/98/864665798.db2.gz GCBASYZKTXPKHC-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444358338 865082417 /nfs/dbraw/zinc/08/24/17/865082417.db2.gz BFFOQOGQXNBCHH-UHFFFAOYSA-N -1 1 397.431 3.544 20 5 GHBDMM Cc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1[N+](=O)[O-] ZINC000444358734 865096058 /nfs/dbraw/zinc/09/60/58/865096058.db2.gz AQDWSBRCULROSF-UHFFFAOYSA-N -1 1 397.431 3.924 20 5 GHBDMM CSCC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000736296756 865178414 /nfs/dbraw/zinc/17/84/14/865178414.db2.gz LTEKWYFBKDPFBI-CYBMUJFWSA-N -1 1 395.506 3.949 20 5 GHBDMM O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000608962094 865861822 /nfs/dbraw/zinc/86/18/22/865861822.db2.gz XPWIUXRFNKRZHF-UHFFFAOYSA-N -1 1 380.191 3.727 20 5 GHBDMM CCOc1cc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000793305705 882084446 /nfs/dbraw/zinc/08/44/46/882084446.db2.gz ZRYWAOCMVMTQGQ-UHFFFAOYSA-N -1 1 391.855 3.675 20 5 GHBDMM COc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc([N+](=O)[O-])c1OC ZINC000445443626 868456184 /nfs/dbraw/zinc/45/61/84/868456184.db2.gz CQPZUPXRPZOJHR-UHFFFAOYSA-N -1 1 377.740 3.688 20 5 GHBDMM CC(C)Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000857649288 882430808 /nfs/dbraw/zinc/43/08/08/882430808.db2.gz PQGUJFGKEVENDF-UHFFFAOYSA-N -1 1 385.243 3.660 20 5 GHBDMM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000115583935 882532625 /nfs/dbraw/zinc/53/26/25/882532625.db2.gz ZJPLFCMFOIAAEM-OAHLLOKOSA-N -1 1 383.857 3.627 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000769045713 873758724 /nfs/dbraw/zinc/75/87/24/873758724.db2.gz HPQJEXUEOSCNOB-LBPRGKRZSA-N -1 1 380.356 3.638 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)s1 ZINC000610086558 877381796 /nfs/dbraw/zinc/38/17/96/877381796.db2.gz SHRZICFRRLYHEM-UHFFFAOYSA-N -1 1 386.520 3.898 20 5 GHBDMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1C ZINC001272553883 879155590 /nfs/dbraw/zinc/15/55/90/879155590.db2.gz FZWBWPBONXVGAO-UHFFFAOYSA-N -1 1 395.371 3.987 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000531433121 879828219 /nfs/dbraw/zinc/82/82/19/879828219.db2.gz JTSNWNCRKLHIOY-UHFFFAOYSA-N -1 1 398.400 3.840 20 5 GHBDMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001212316396 880057974 /nfs/dbraw/zinc/05/79/74/880057974.db2.gz DFQZHZHHVBKDOM-SECBINFHSA-N -1 1 399.296 3.631 20 5 GHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000163345329 880064631 /nfs/dbraw/zinc/06/46/31/880064631.db2.gz JWUTXLJJLFXRFA-UHFFFAOYSA-N -1 1 397.840 3.624 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000452824492 880104577 /nfs/dbraw/zinc/10/45/77/880104577.db2.gz SWLPPJKGMLPLGV-UHFFFAOYSA-N -1 1 393.802 3.536 20 5 GHBDMM CCOC(=O)/C(=C\c1cc(Cl)c([O-])c(OCC)c1)c1ccc([N+](=O)[O-])cn1 ZINC000791429249 880430058 /nfs/dbraw/zinc/43/00/58/880430058.db2.gz ZXRSLFMGNBZHPC-QPEQYQDCSA-N -1 1 392.795 3.851 20 5 GHBDMM COc1c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cccc1[N+](=O)[O-] ZINC000475758589 883269892 /nfs/dbraw/zinc/26/98/92/883269892.db2.gz VYNILONDSSDRKJ-UHFFFAOYSA-N -1 1 388.430 3.858 20 5 GHBDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000475826931 884516112 /nfs/dbraw/zinc/51/61/12/884516112.db2.gz BVJMZBRNWLDRHE-UHFFFAOYSA-N -1 1 398.824 3.650 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000119034568 886321669 /nfs/dbraw/zinc/32/16/69/886321669.db2.gz YGGUYSVVNTZQGK-UHFFFAOYSA-N -1 1 395.231 3.667 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCc2ccccn2)c1 ZINC000032597283 887448107 /nfs/dbraw/zinc/44/81/07/887448107.db2.gz UNGRVYSEBVMPRD-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)sc1Br ZINC000120265404 888032486 /nfs/dbraw/zinc/03/24/86/888032486.db2.gz GAFXEGRZDZDCSV-UHFFFAOYSA-N -1 1 375.175 3.819 20 5 GHBDMM Cc1ccccc1C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001211960144 888235679 /nfs/dbraw/zinc/23/56/79/888235679.db2.gz GVFJJXYHLDAJDN-UHFFFAOYSA-N -1 1 386.832 3.909 20 5 GHBDMM CC(C)c1nsc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000874695950 892300505 /nfs/dbraw/zinc/30/05/05/892300505.db2.gz WLNWJSSQNJBHNA-UHFFFAOYSA-N -1 1 389.206 3.724 20 5 GHBDMM CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1ccc([O-])c(F)c1 ZINC001186226394 914371313 /nfs/dbraw/zinc/37/13/13/914371313.db2.gz NSHQBUFUPPPHII-UHFFFAOYSA-N -1 1 391.402 3.788 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])c([O-])c4)C3)[nH]c2c1 ZINC000067158777 901042109 /nfs/dbraw/zinc/04/21/09/901042109.db2.gz MEDLICDYNHSNRQ-AWEZNQCLSA-N -1 1 380.404 3.505 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Br)c1 ZINC000047312950 901796321 /nfs/dbraw/zinc/79/63/21/901796321.db2.gz MAGVFOLTOCWJKO-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)n1 ZINC000576853037 902305877 /nfs/dbraw/zinc/30/58/77/902305877.db2.gz IWAHRCUDHRWJJM-UHFFFAOYSA-N -1 1 398.444 3.778 20 5 GHBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)[nH]n2)o1 ZINC000773279921 904673199 /nfs/dbraw/zinc/67/31/99/904673199.db2.gz RFLKXWDLBWYPEV-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM COc1cc(Br)cc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC001180438755 910141353 /nfs/dbraw/zinc/14/13/53/910141353.db2.gz CNEPVHCZLODMJZ-UHFFFAOYSA-N -1 1 397.210 3.556 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc4ncccc4c3)no2)n[n-]c1C(F)(F)F ZINC001212972701 916160652 /nfs/dbraw/zinc/16/06/52/916160652.db2.gz GDLVGXUWEALGID-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cncc4ccccc43)no2)n[n-]c1C(F)(F)F ZINC001212973108 916166116 /nfs/dbraw/zinc/16/61/16/916166116.db2.gz QPHHCDMKZNIKGC-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC001189041143 916362131 /nfs/dbraw/zinc/36/21/31/916362131.db2.gz ORVMBXRLLKYKAX-JTQLQIEISA-N -1 1 389.260 3.984 20 5 GHBDMM Cc1ccc(OCCCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725823452 926458384 /nfs/dbraw/zinc/45/83/84/926458384.db2.gz ZMPFCAJFRRFVAB-UHFFFAOYSA-N -1 1 398.868 3.694 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000467430026 929063599 /nfs/dbraw/zinc/06/35/99/929063599.db2.gz ODLHWUQMFLIKJH-UHFFFAOYSA-N -1 1 386.433 3.848 20 5 GHBDMM CC(C)(C(=O)Nc1nc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000783905893 931712807 /nfs/dbraw/zinc/71/28/07/931712807.db2.gz NUFDPTBJPQFGNF-UHFFFAOYSA-N -1 1 398.188 3.513 20 5 GHBDMM CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598517375 992632918 /nfs/dbraw/zinc/63/29/18/992632918.db2.gz GXFMOMUOQIDNIW-UHFFFAOYSA-N -1 1 398.337 3.709 20 5 GHBDMM C[C@](NCc1cc(Br)ccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593288461 994656105 /nfs/dbraw/zinc/65/61/05/994656105.db2.gz KGLCFNKXMNNMAJ-MRXNPFEDSA-N -1 1 397.200 3.586 20 5 GHBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC001593298516 994715679 /nfs/dbraw/zinc/71/56/79/994715679.db2.gz KJLCVWJQZKXMNL-NSHDSACASA-N -1 1 387.417 3.519 20 5 GHBDMM CCOC(=O)C[C@@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227700131 1032521531 /nfs/dbraw/zinc/52/15/31/1032521531.db2.gz MYTGTGXMMGQECR-CYBMUJFWSA-N -1 1 387.388 3.560 20 5 GHBDMM CCOC(=O)[C@@H](CC)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227703898 1032523900 /nfs/dbraw/zinc/52/39/00/1032523900.db2.gz YEVOINTVECUPBO-QGZVFWFLSA-N -1 1 387.388 3.560 20 5 GHBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000754989446 1023001775 /nfs/dbraw/zinc/00/17/75/1023001775.db2.gz RVYTXHFMOKKBLA-UHFFFAOYSA-N -1 1 381.743 3.695 20 5 GHBDMM COc1ccc2c(c1)CC[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C2 ZINC001228858022 1033140848 /nfs/dbraw/zinc/14/08/48/1033140848.db2.gz BETDPVDPCLEYAD-GFCCVEGCSA-N -1 1 384.310 3.659 20 5 GHBDMM CC1(C)CC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC(C)(C)N1O ZINC001228863385 1033144830 /nfs/dbraw/zinc/14/48/30/1033144830.db2.gz XPHLSOIIJISMAO-UHFFFAOYSA-N -1 1 379.335 3.504 20 5 GHBDMM Cc1c(Br)cc(C(=O)Nc2cc([O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC001141833645 1027387957 /nfs/dbraw/zinc/38/79/57/1027387957.db2.gz JUICHIFQIARBKW-UHFFFAOYSA-N -1 1 387.136 3.902 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001217096788 1030159765 /nfs/dbraw/zinc/15/97/65/1030159765.db2.gz NEQVAJPZNKUVNF-UXBLZVDNSA-N -1 1 393.403 3.787 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC[C@H]3CC[C@@]4(CCCCO4)O3)c(O)cc12 ZINC001229806082 1033730722 /nfs/dbraw/zinc/73/07/22/1033730722.db2.gz RZFBPMYZWPBGRX-JLCFBVMHSA-N -1 1 398.411 3.812 20 5 GHBDMM O=C(Nc1cccc([O-])c1Br)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001158825756 1034289615 /nfs/dbraw/zinc/28/96/15/1034289615.db2.gz UHGSHJSGCDNKKA-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234741152 1040268234 /nfs/dbraw/zinc/26/82/34/1040268234.db2.gz DLMNCTSEBDVFLB-DIFFPNOSSA-N -1 1 375.380 3.860 20 5 GHBDMM CCOC(=O)[C@H]1CC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)CC1 ZINC001234746177 1040272994 /nfs/dbraw/zinc/27/29/94/1040272994.db2.gz BOLDAILEJYMBJU-NNUKFRKNSA-N -1 1 398.411 3.858 20 5 GHBDMM C[C@@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ccncc1F ZINC001234750689 1040276929 /nfs/dbraw/zinc/27/69/29/1040276929.db2.gz MXWGIXIPDWZOCG-SECBINFHSA-N -1 1 383.331 3.737 20 5 GHBDMM COc1cccc2c1[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])CCO2 ZINC001234878160 1040393690 /nfs/dbraw/zinc/39/36/90/1040393690.db2.gz SDMVHIUCGYJHFB-CQSZACIVSA-N -1 1 396.193 3.974 20 5 GHBDMM CCOc1cc([N-]C(=O)c2snnc2C(C)C)c([N+](=O)[O-])cc1OCC ZINC001264282432 1047295494 /nfs/dbraw/zinc/29/54/94/1047295494.db2.gz UMWPVWMIWHLTOU-UHFFFAOYSA-N -1 1 380.426 3.619 20 5 GHBDMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000611375788 1047504705 /nfs/dbraw/zinc/50/47/05/1047504705.db2.gz JBROFTKOBGBSNR-AWEZNQCLSA-N -1 1 397.431 3.666 20 5 GHBDMM O=[N+]([O-])c1cc2ccccc2nc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001307189355 1049127817 /nfs/dbraw/zinc/12/78/17/1049127817.db2.gz COIYGLSKHDTTFA-UHFFFAOYSA-N -1 1 398.850 3.824 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(Cl)cc1Cl ZINC001309005677 1050266020 /nfs/dbraw/zinc/26/60/20/1050266020.db2.gz SDSBVVXGOHZZPB-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001356027001 1057360385 /nfs/dbraw/zinc/36/03/85/1057360385.db2.gz ISPKCBVNVNASBS-UHFFFAOYSA-N -1 1 378.175 3.939 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC001338510361 1058604389 /nfs/dbraw/zinc/60/43/89/1058604389.db2.gz AINRFFNATHYVKS-UHFFFAOYSA-N -1 1 395.868 3.645 20 5 GHBDMM O=[N+]([O-])c1c([N-]c2cnn(-c3ccccc3Br)c2)nc2ccccn21 ZINC001458266796 1063707045 /nfs/dbraw/zinc/70/70/45/1063707045.db2.gz ZRFGQXLKMPPTFH-UHFFFAOYSA-N -1 1 399.208 3.934 20 5 GHBDMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC001460059278 1064385664 /nfs/dbraw/zinc/38/56/64/1064385664.db2.gz DJCHIHPHCLISQQ-UHFFFAOYSA-N -1 1 395.371 3.987 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC001463651888 1064526809 /nfs/dbraw/zinc/52/68/09/1064526809.db2.gz PIPDHBJHAGDQRE-CQSZACIVSA-N -1 1 384.816 3.743 20 5 GHBDMM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464148205 1064861856 /nfs/dbraw/zinc/86/18/56/1064861856.db2.gz CSGJQNBSGWCQHS-UHFFFAOYSA-N -1 1 390.795 3.627 20 5 GHBDMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001475052991 1074711922 /nfs/dbraw/zinc/71/19/22/1074711922.db2.gz BFFTUAHAPXIHSC-UWVGGRQHSA-N -1 1 396.893 3.730 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC001475574983 1074918047 /nfs/dbraw/zinc/91/80/47/1074918047.db2.gz LGWOXNUWELXTRQ-WMFXKJRFSA-N -1 1 376.837 3.634 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)c(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651704 599440555 /nfs/dbraw/zinc/44/05/55/599440555.db2.gz OAJPZHPEXAVTNV-UHFFFAOYSA-N -1 1 387.570 3.922 20 5 GHBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)c(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000823651704 599440557 /nfs/dbraw/zinc/44/05/57/599440557.db2.gz OAJPZHPEXAVTNV-UHFFFAOYSA-N -1 1 387.570 3.922 20 5 GHBDMM O=C([O-])[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000833164619 601114224 /nfs/dbraw/zinc/11/42/24/601114224.db2.gz BYOZOIWJHJZOJD-CQSZACIVSA-N -1 1 399.628 3.926 20 5 GHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000219080101 834404036 /nfs/dbraw/zinc/40/40/36/834404036.db2.gz BXSHBSYQRGPDBJ-UHFFFAOYSA-N -1 1 390.339 3.911 20 5 GHBDMM O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000608961836 835729496 /nfs/dbraw/zinc/72/94/96/835729496.db2.gz FGQHRXXQELFDIT-UHFFFAOYSA-N -1 1 380.191 3.727 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000180159218 836423059 /nfs/dbraw/zinc/42/30/59/836423059.db2.gz WUUKDWXYKVBTAF-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000190097816 838223757 /nfs/dbraw/zinc/22/37/57/838223757.db2.gz ACRQUJPZIADRDB-UHFFFAOYSA-N -1 1 391.630 3.812 20 5 GHBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2ccccc2Cl)ns1 ZINC000110380986 841894761 /nfs/dbraw/zinc/89/47/61/841894761.db2.gz YMMMESCQCUYJMZ-UHFFFAOYSA-N -1 1 375.797 3.722 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1Cl ZINC000479212118 847560280 /nfs/dbraw/zinc/56/02/80/847560280.db2.gz QDAIYDOAYWCQOF-QMMMGPOBSA-N -1 1 376.768 3.566 20 5 GHBDMM CCC(CC)c1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)on1 ZINC000132292653 862005694 /nfs/dbraw/zinc/00/56/94/862005694.db2.gz IYBZFTULHNPCHN-UHFFFAOYSA-N -1 1 375.381 3.900 20 5 GHBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000434377160 851051740 /nfs/dbraw/zinc/05/17/40/851051740.db2.gz LHZOMYZKXNEHPK-AWEZNQCLSA-N -1 1 393.399 3.765 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436973389 852555601 /nfs/dbraw/zinc/55/56/01/852555601.db2.gz SLANFUHZYSBMEQ-OAHLLOKOSA-N -1 1 386.795 3.807 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCC1 ZINC000729485728 853917924 /nfs/dbraw/zinc/91/79/24/853917924.db2.gz RYTZUEDMOZEFAS-INIZCTEOSA-N -1 1 382.388 3.693 20 5 GHBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000732817532 862516989 /nfs/dbraw/zinc/51/69/89/862516989.db2.gz WGGKMDCYDPFJTP-QGZVFWFLSA-N -1 1 380.853 3.986 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1c1ccccc1 ZINC001211866060 855395247 /nfs/dbraw/zinc/39/52/47/855395247.db2.gz YHLNCNPGGCHWJA-CVEARBPZSA-N -1 1 392.452 3.986 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC000590598050 855504483 /nfs/dbraw/zinc/50/44/83/855504483.db2.gz FVVFQHIWTHHGBT-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000485397827 856444166 /nfs/dbraw/zinc/44/41/66/856444166.db2.gz YSSYNOWWWCESJL-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000485395512 856457625 /nfs/dbraw/zinc/45/76/25/856457625.db2.gz GCJBPIOOBVTHIC-UHFFFAOYSA-N -1 1 390.396 3.542 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000508073768 856892204 /nfs/dbraw/zinc/89/22/04/856892204.db2.gz MPDKYQBPTNFJAH-OAHLLOKOSA-N -1 1 399.350 3.658 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)cc1[N+](=O)[O-] ZINC000174023323 857198960 /nfs/dbraw/zinc/19/89/60/857198960.db2.gz XPFOBZWDWAWBBI-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485941752 857233958 /nfs/dbraw/zinc/23/39/58/857233958.db2.gz QISZGDOOWVQUHA-VIFPVBQESA-N -1 1 397.865 3.897 20 5 GHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486005987 857341655 /nfs/dbraw/zinc/34/16/55/857341655.db2.gz NNMAOWHRSPFBNV-UHFFFAOYSA-N -1 1 392.433 3.614 20 5 GHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1 ZINC000442328669 857732054 /nfs/dbraw/zinc/73/20/54/857732054.db2.gz BBRHTZIPSJBDBJ-UHFFFAOYSA-N -1 1 376.434 3.855 20 5 GHBDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2O1 ZINC000442836246 858173516 /nfs/dbraw/zinc/17/35/16/858173516.db2.gz NRFWWKMIBDYEFD-QGZVFWFLSA-N -1 1 378.406 3.601 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000010342313 858281395 /nfs/dbraw/zinc/28/13/95/858281395.db2.gz MQXSSPGYHUZQGE-UHFFFAOYSA-N -1 1 376.312 3.603 20 5 GHBDMM Cc1ccc2nc([C@H]3CCCN(c4ccc([N+](=O)[O-])c(C(=O)[O-])c4)C3)[nH]c2c1 ZINC000592973445 858465731 /nfs/dbraw/zinc/46/57/31/858465731.db2.gz NGGUMUFTILGSCQ-ZDUSSCGKSA-N -1 1 380.404 3.862 20 5 GHBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000484257983 859904244 /nfs/dbraw/zinc/90/42/44/859904244.db2.gz RRBGYFZCGQGQRI-AWEZNQCLSA-N -1 1 377.400 3.646 20 5 GHBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000765530262 860084847 /nfs/dbraw/zinc/08/48/47/860084847.db2.gz QGBCWTAPVQPIRU-MRXNPFEDSA-N -1 1 385.416 3.858 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1C ZINC000522956794 863796631 /nfs/dbraw/zinc/79/66/31/863796631.db2.gz JCZKVKWAROOVSJ-UHFFFAOYSA-N -1 1 388.449 3.943 20 5 GHBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000444361221 865119611 /nfs/dbraw/zinc/11/96/11/865119611.db2.gz FWWUYAIICKOHDX-UHFFFAOYSA-N -1 1 383.404 3.615 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Br)c1C ZINC000480736371 865168410 /nfs/dbraw/zinc/16/84/10/865168410.db2.gz MYAYHNFVOMPDCG-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499282360 881899588 /nfs/dbraw/zinc/89/95/88/881899588.db2.gz FCSJINZHKSXWBU-UHFFFAOYSA-N -1 1 384.841 3.631 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCSC)cc1 ZINC000609015885 865891313 /nfs/dbraw/zinc/89/13/13/865891313.db2.gz KJCQOGGHPRVRIA-UHFFFAOYSA-N -1 1 380.491 3.864 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000740897729 866086606 /nfs/dbraw/zinc/08/66/06/866086606.db2.gz BEHCVCSUOBIKPG-UHFFFAOYSA-N -1 1 387.244 3.869 20 5 GHBDMM CCCN(Cc1ccccc1Br)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444848054 867300848 /nfs/dbraw/zinc/30/08/48/867300848.db2.gz KVDRBYDBAMDERN-UHFFFAOYSA-N -1 1 394.225 3.510 20 5 GHBDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1Cl ZINC000766354402 870632751 /nfs/dbraw/zinc/63/27/51/870632751.db2.gz CQBWXJMPLLEOEF-UHFFFAOYSA-N -1 1 376.818 3.910 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000069901077 871672398 /nfs/dbraw/zinc/67/23/98/871672398.db2.gz WINJWFGIAWELID-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000768271636 873201746 /nfs/dbraw/zinc/20/17/46/873201746.db2.gz CNAZKQZWGTWXBE-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1F ZINC000769884742 874351358 /nfs/dbraw/zinc/35/13/58/874351358.db2.gz CUTXFEUTFAAKHC-UHFFFAOYSA-N -1 1 394.302 3.562 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000771734159 875422498 /nfs/dbraw/zinc/42/24/98/875422498.db2.gz NFOMAEFQXYWVDE-CQSZACIVSA-N -1 1 392.330 3.624 20 5 GHBDMM O=c1[n-]nc(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000786554048 876787045 /nfs/dbraw/zinc/78/70/45/876787045.db2.gz HCNXFHCHEJOCLC-UHFFFAOYSA-N -1 1 392.721 3.740 20 5 GHBDMM CCOc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c([N+](=O)[O-])cc1OC ZINC000530635569 878207580 /nfs/dbraw/zinc/20/75/80/878207580.db2.gz OMSOICBDBNOODQ-UHFFFAOYSA-N -1 1 380.784 3.922 20 5 GHBDMM CCn1c(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068453925 878548445 /nfs/dbraw/zinc/54/84/45/878548445.db2.gz GFEHHYFIIZOKCG-UHFFFAOYSA-N -1 1 395.872 3.542 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)cc1[N+](=O)[O-] ZINC000531364766 879704707 /nfs/dbraw/zinc/70/47/07/879704707.db2.gz WTCRHPFKFLMHDB-UHFFFAOYSA-N -1 1 398.400 3.840 20 5 GHBDMM O=[N+]([O-])c1ccc(Nc2cc(Br)c([O-])c(Br)c2)cn1 ZINC001203574715 912733956 /nfs/dbraw/zinc/73/39/56/912733956.db2.gz HWGJCDPFYBSDJS-UHFFFAOYSA-N -1 1 389.003 3.964 20 5 GHBDMM CCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000761895551 884938905 /nfs/dbraw/zinc/93/89/05/884938905.db2.gz ZNVPONHXXISUAV-UHFFFAOYSA-N -1 1 384.841 3.894 20 5 GHBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]c1=O ZINC000193265450 885148657 /nfs/dbraw/zinc/14/86/57/885148657.db2.gz MJTOGSBFZJLHIS-ZRDIBKRKSA-N -1 1 395.371 3.675 20 5 GHBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536515638 886669676 /nfs/dbraw/zinc/66/96/76/886669676.db2.gz VTCXYUNYKIYSPZ-UHFFFAOYSA-N -1 1 387.808 3.855 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000032600138 887448233 /nfs/dbraw/zinc/44/82/33/887448233.db2.gz WNMIZMQEDSLLJB-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM CSc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809811052 887821588 /nfs/dbraw/zinc/82/15/88/887821588.db2.gz WXIMILYXXXLYGY-UHFFFAOYSA-N -1 1 390.845 3.588 20 5 GHBDMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809817638 887842272 /nfs/dbraw/zinc/84/22/72/887842272.db2.gz ITNITQYUQAKXTP-DTWKUNHWSA-N -1 1 399.321 3.854 20 5 GHBDMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809817637 887842993 /nfs/dbraw/zinc/84/29/93/887842993.db2.gz ITNITQYUQAKXTP-BDAKNGLRSA-N -1 1 399.321 3.854 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CC1CCCC1)c1ccccc1 ZINC000532775754 888915962 /nfs/dbraw/zinc/91/59/62/888915962.db2.gz JYVUGIIBFWSKRS-MRXNPFEDSA-N -1 1 375.450 3.590 20 5 GHBDMM Cc1nc(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)sc1C(=O)[O-] ZINC000872165537 891190759 /nfs/dbraw/zinc/19/07/59/891190759.db2.gz XOMMZTDIRAHHQS-LBPRGKRZSA-N -1 1 375.450 3.999 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000217217244 893200098 /nfs/dbraw/zinc/20/00/98/893200098.db2.gz NINQHMPFNSMVKG-UHFFFAOYSA-N -1 1 392.824 3.543 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCC(c2ccccc2)CC1 ZINC000918191602 893335567 /nfs/dbraw/zinc/33/55/67/893335567.db2.gz HLWUPAGIJPPVMX-UHFFFAOYSA-N -1 1 378.425 3.739 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)Cc1ccccc1Br ZINC000567340551 897075403 /nfs/dbraw/zinc/07/54/03/897075403.db2.gz XNDOMWUGYWTORZ-UHFFFAOYSA-N -1 1 399.266 3.916 20 5 GHBDMM CC(C)c1ccc(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000573067211 900362977 /nfs/dbraw/zinc/36/29/77/900362977.db2.gz PUMZZZHPCIHDPU-UHFFFAOYSA-N -1 1 385.420 3.502 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C(c1cccs1)c1cccs1 ZINC000159151019 902639797 /nfs/dbraw/zinc/63/97/97/902639797.db2.gz MAGJIOIXZDKALW-UHFFFAOYSA-N -1 1 398.462 3.925 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)ccc1Cl ZINC000048230788 903160234 /nfs/dbraw/zinc/16/02/34/903160234.db2.gz GQGOWEGGXWCQCL-UHFFFAOYSA-N -1 1 379.781 3.704 20 5 GHBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cc1cccs1 ZINC001187581687 915375978 /nfs/dbraw/zinc/37/59/78/915375978.db2.gz GRFMIKLAJSQDQD-VIFPVBQESA-N -1 1 392.861 3.606 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3ccnc4ccccc43)no2)n[n-]c1C(F)(F)F ZINC001212972916 916164457 /nfs/dbraw/zinc/16/44/57/916164457.db2.gz MBNKHFDUXJMAHZ-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM Cc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c(=O)c1C1CC1 ZINC001189885301 916968719 /nfs/dbraw/zinc/96/87/19/916968719.db2.gz TXZSROGWIHPLGW-LLVKDONJSA-N -1 1 388.449 3.704 20 5 GHBDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000116109658 919498603 /nfs/dbraw/zinc/49/86/03/919498603.db2.gz DUFPNBMVOQAFKY-MRVPVSSYSA-N -1 1 391.286 3.547 20 5 GHBDMM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725822442 926458195 /nfs/dbraw/zinc/45/81/95/926458195.db2.gz ZSPWLENPKZDMPJ-UHFFFAOYSA-N -1 1 398.868 3.556 20 5 GHBDMM C/C=C(\C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000751297552 928116376 /nfs/dbraw/zinc/11/63/76/928116376.db2.gz LUWZMSSDGAQHRF-UUILKARUSA-N -1 1 389.433 3.609 20 5 GHBDMM CCN(c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1)C(C)C ZINC000759150324 930291149 /nfs/dbraw/zinc/29/11/49/930291149.db2.gz XOYJPYRPUCKDMS-UHFFFAOYSA-N -1 1 393.465 3.639 20 5 GHBDMM CC[C@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cccc([N+](=O)[O-])c1 ZINC001593623848 953543517 /nfs/dbraw/zinc/54/35/17/953543517.db2.gz XZQYVDYCBPCRDB-YJBOKZPZSA-N -1 1 387.436 3.730 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1OC ZINC001589458863 954855481 /nfs/dbraw/zinc/85/54/81/954855481.db2.gz OAJSNVKTBWVOBE-DZKIICNBSA-N -1 1 394.468 3.571 20 5 GHBDMM CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598519520 992662038 /nfs/dbraw/zinc/66/20/38/992662038.db2.gz WGRTZNNFKSKSGA-OAHLLOKOSA-N -1 1 397.200 3.754 20 5 GHBDMM COC[C@H](C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001599161923 998473644 /nfs/dbraw/zinc/47/36/44/998473644.db2.gz PZTAZFMYWGTZBJ-XOBRGWDASA-N -1 1 384.432 3.817 20 5 GHBDMM CCOC(=O)[C@H]1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227310580 1032368752 /nfs/dbraw/zinc/36/87/52/1032368752.db2.gz VQGHBWCPCNEXFE-STQMWFEESA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2cc(OC[C@@H]3CC[C@@]4(CCCCO4)O3)c([O-])cc2oc2cccc(O)c12 ZINC001227309164 1032367232 /nfs/dbraw/zinc/36/72/32/1032367232.db2.gz IDBRLEKCMCCYMJ-WHEQGISXSA-N -1 1 398.411 3.812 20 5 GHBDMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC001210149609 1027360775 /nfs/dbraw/zinc/36/07/75/1027360775.db2.gz FNOQWWOKWCUJBU-VIFPVBQESA-N -1 1 390.820 3.588 20 5 GHBDMM O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001142026354 1027913537 /nfs/dbraw/zinc/91/35/37/1027913537.db2.gz PNESLAYTMBVOJK-UHFFFAOYSA-N -1 1 382.351 3.959 20 5 GHBDMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC001213371573 1028145763 /nfs/dbraw/zinc/14/57/63/1028145763.db2.gz QLKCYCXAFQFYNL-HOCLYGCPSA-N -1 1 378.425 3.897 20 5 GHBDMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cccc2nc3ccccc3nc21 ZINC001153865023 1031779057 /nfs/dbraw/zinc/77/90/57/1031779057.db2.gz ZXPPJMOLPNAGLN-UHFFFAOYSA-N -1 1 381.395 3.927 20 5 GHBDMM C[C@@H](Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2)c1ccccc1[N+](=O)[O-] ZINC001226620205 1032048432 /nfs/dbraw/zinc/04/84/32/1032048432.db2.gz VZEZMMWYGWOEJG-CQSZACIVSA-N -1 1 392.415 3.746 20 5 GHBDMM CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229398658 1033458205 /nfs/dbraw/zinc/45/82/05/1033458205.db2.gz XMWFPFDHOXXLPV-MRXNPFEDSA-N -1 1 378.425 3.859 20 5 GHBDMM Cc1cc([O-])c(OC[C@H]2Cc3cccc(Br)c3O2)cc1[N+](=O)[O-] ZINC001229751658 1033685629 /nfs/dbraw/zinc/68/56/29/1033685629.db2.gz XQUNIOWKVMTLAN-LLVKDONJSA-N -1 1 380.194 3.754 20 5 GHBDMM Cc1cc([O-])c(OC[C@@H]2COc3cc(Br)ccc3O2)cc1[N+](=O)[O-] ZINC001229755506 1033690369 /nfs/dbraw/zinc/69/03/69/1033690369.db2.gz XXNJFVJTCFHJGE-LLVKDONJSA-N -1 1 396.193 3.590 20 5 GHBDMM CCOC(=O)[C@@H](C)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233497041 1039392030 /nfs/dbraw/zinc/39/20/30/1039392030.db2.gz DLXONGBDOCVOTD-KGFZYKRKSA-N -1 1 395.721 3.633 20 5 GHBDMM CC(C)C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C(=O)OC(C)C ZINC001234874887 1040390005 /nfs/dbraw/zinc/39/00/05/1040390005.db2.gz DDPUEBYUHHAFKI-ZDUSSCGKSA-N -1 1 390.230 3.808 20 5 GHBDMM COc1ccc(OC[C@@H](C)Oc2c([O-])cc(Br)cc2[N+](=O)[O-])cc1 ZINC001234878166 1040393193 /nfs/dbraw/zinc/39/31/93/1040393193.db2.gz SFXAMOPJJITHET-SNVBAGLBSA-N -1 1 398.209 3.918 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC001309029245 1050285763 /nfs/dbraw/zinc/28/57/63/1050285763.db2.gz JYRGYWOTQRLZDB-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM Cc1ccsc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001309348770 1050620310 /nfs/dbraw/zinc/62/03/10/1050620310.db2.gz HXFRBNYSMOUWHS-UHFFFAOYSA-N -1 1 395.289 3.793 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Cl ZINC001309689553 1050921582 /nfs/dbraw/zinc/92/15/82/1050921582.db2.gz CSAONNBWSQKIHO-WCQYABFASA-N -1 1 387.244 3.736 20 5 GHBDMM CC(C)(C)OC(=O)N[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC001318588072 1054735567 /nfs/dbraw/zinc/73/55/67/1054735567.db2.gz ZGONYOLFAICGLO-AWEZNQCLSA-N -1 1 385.380 3.587 20 5 GHBDMM Cc1ccc(SC2(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCCC2)cc1 ZINC001445224644 1059482381 /nfs/dbraw/zinc/48/23/81/1059482381.db2.gz FOVOCBYZQATXFE-UHFFFAOYSA-N -1 1 387.461 3.839 20 5 GHBDMM Cc1sc(Br)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC001357403922 1067085031 /nfs/dbraw/zinc/08/50/31/1067085031.db2.gz YQSULYDZBGDKSF-UHFFFAOYSA-N -1 1 378.154 3.653 20 5 GHBDMM CC(=O)c1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1[O-] ZINC001468601602 1067786329 /nfs/dbraw/zinc/78/63/29/1067786329.db2.gz NUTOGERSZZVIEB-UHFFFAOYSA-N -1 1 377.356 3.817 20 5 GHBDMM O=C(CSc1ccc2c3c(cccc31)CC2)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001473077072 1073771132 /nfs/dbraw/zinc/77/11/32/1073771132.db2.gz GIJLPQBYTULNHL-UHFFFAOYSA-N -1 1 392.436 3.895 20 5 GHBDMM C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001473094130 1073779047 /nfs/dbraw/zinc/77/90/47/1073779047.db2.gz IMWCATUHYYPBGM-GFCCVEGCSA-N -1 1 396.428 3.877 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)cc1F ZINC001474944107 1074644212 /nfs/dbraw/zinc/64/42/12/1074644212.db2.gz VGMQUDUMVSIZMK-SFHVURJKSA-N -1 1 378.425 3.862 20 5 GHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC001475616309 1074928367 /nfs/dbraw/zinc/92/83/67/1074928367.db2.gz QXSVLMHCNFHAIL-ZDUSSCGKSA-N -1 1 390.795 3.841 20 5 GHBDMM C[C@](NCc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1cccc(Br)c1 ZINC000827741922 601354440 /nfs/dbraw/zinc/35/44/40/601354440.db2.gz XKYFMNWGJWDHQX-MRXNPFEDSA-N -1 1 397.200 3.586 20 5 GHBDMM CC[C@@H](N[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000828983401 601380565 /nfs/dbraw/zinc/38/05/65/601380565.db2.gz UYQYYSAZINPDOU-SUMWQHHRSA-N -1 1 385.420 3.669 20 5 GHBDMM Cc1cc(NC[C@H](C)N2CCc3sccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000522003285 602313536 /nfs/dbraw/zinc/31/35/36/602313536.db2.gz FXHAHYBNMZAJSF-LBPRGKRZSA-N -1 1 375.450 3.522 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000823620507 606711171 /nfs/dbraw/zinc/71/11/71/606711171.db2.gz MHVKJLRLLUZEQE-NSHDSACASA-N -1 1 392.206 3.576 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000823620507 606711173 /nfs/dbraw/zinc/71/11/73/606711173.db2.gz MHVKJLRLLUZEQE-NSHDSACASA-N -1 1 392.206 3.576 20 5 GHBDMM CCOc1cc([N-]C(=O)c2cc(CSCC)on2)c([N+](=O)[O-])cc1OCC ZINC000274558927 834411665 /nfs/dbraw/zinc/41/16/65/834411665.db2.gz YFEJNIBJTGSWTF-UHFFFAOYSA-N -1 1 395.437 3.886 20 5 GHBDMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188267274 835591328 /nfs/dbraw/zinc/59/13/28/835591328.db2.gz XCDZPQJBPXAQAO-JTQLQIEISA-N -1 1 384.417 3.618 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000066327455 837218831 /nfs/dbraw/zinc/21/88/31/837218831.db2.gz UHLRRFAFNOQMAD-OAHLLOKOSA-N -1 1 398.462 3.925 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cccc(O)c1 ZINC000180418427 837225492 /nfs/dbraw/zinc/22/54/92/837225492.db2.gz WNSZXYDTRZAYEP-UHFFFAOYSA-N -1 1 399.428 3.713 20 5 GHBDMM O=c1[n-]c(Oc2ccc([N+](=O)[O-])c3ccccc23)nc2c1cnn2-c1ccccc1 ZINC000129230087 844430990 /nfs/dbraw/zinc/43/09/90/844430990.db2.gz XCAVCRNMLPCRGO-UHFFFAOYSA-N -1 1 399.366 3.963 20 5 GHBDMM CCCc1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000042387920 840943755 /nfs/dbraw/zinc/94/37/55/840943755.db2.gz HLHKUHJCPUXHFE-UHFFFAOYSA-N -1 1 390.343 3.592 20 5 GHBDMM O=C([O-])[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC000417637098 841075042 /nfs/dbraw/zinc/07/50/42/841075042.db2.gz YQGVKPNOLCDBAP-LSDHHAIUSA-N -1 1 378.331 3.599 20 5 GHBDMM O=C([O-])[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC000417637097 841075590 /nfs/dbraw/zinc/07/55/90/841075590.db2.gz YQGVKPNOLCDBAP-HUUCEWRRSA-N -1 1 378.331 3.599 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593756219 861194719 /nfs/dbraw/zinc/19/47/19/861194719.db2.gz MUWHILLWRDJEQW-UFYCRDLUSA-N -1 1 382.416 3.788 20 5 GHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C)o1 ZINC000135407500 843344983 /nfs/dbraw/zinc/34/49/83/843344983.db2.gz AKTXUUDRFBTCLQ-UHFFFAOYSA-N -1 1 396.812 3.649 20 5 GHBDMM CC(C)(C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610874467 844731639 /nfs/dbraw/zinc/73/16/39/844731639.db2.gz HDWWJUSTTKZNMT-UHFFFAOYSA-N -1 1 396.443 3.700 20 5 GHBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588481177 844900205 /nfs/dbraw/zinc/90/02/05/844900205.db2.gz FRFOPNWQGOHNRY-FPLPWBNLSA-N -1 1 382.825 3.807 20 5 GHBDMM CC(C)c1[nH]nc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)c1[N+](=O)[O-] ZINC000433835453 845438314 /nfs/dbraw/zinc/43/83/14/845438314.db2.gz HFPRRDCWDHNIKD-UHFFFAOYSA-N -1 1 391.391 3.632 20 5 GHBDMM CC1(c2cccc(Cl)c2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000478459514 847084495 /nfs/dbraw/zinc/08/44/95/847084495.db2.gz WUFDVEDJFZWLQS-UHFFFAOYSA-N -1 1 375.812 3.543 20 5 GHBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]n1 ZINC000434972268 849959489 /nfs/dbraw/zinc/95/94/89/849959489.db2.gz FXUGAYNSJGSVNB-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)c1C ZINC000514811952 850336663 /nfs/dbraw/zinc/33/66/63/850336663.db2.gz IJZIZUQYBPRNAG-UHFFFAOYSA-N -1 1 378.450 3.946 20 5 GHBDMM Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccc3c(c2)OCCO3)s1 ZINC000518949449 850380270 /nfs/dbraw/zinc/38/02/70/850380270.db2.gz NCBAZOJANVXLHF-UHFFFAOYSA-N -1 1 399.428 3.911 20 5 GHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1OCC ZINC000473773770 851906922 /nfs/dbraw/zinc/90/69/22/851906922.db2.gz PDXADSHLIZTQDQ-UHFFFAOYSA-N -1 1 394.449 3.810 20 5 GHBDMM CCc1ccc(-c2nc(Cc3cc(OC)cc(OC)c3[N+](=O)[O-])no2)c([O-])c1 ZINC000436879680 852450968 /nfs/dbraw/zinc/45/09/68/852450968.db2.gz HDOLZCHJLRZAFG-UHFFFAOYSA-N -1 1 385.376 3.521 20 5 GHBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1F ZINC000507578287 853049882 /nfs/dbraw/zinc/04/98/82/853049882.db2.gz DNQUUYPBALSHLS-UHFFFAOYSA-N -1 1 386.788 3.699 20 5 GHBDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000519875507 853555172 /nfs/dbraw/zinc/55/51/72/853555172.db2.gz JTOSPMVHVOSNBD-LLVKDONJSA-N -1 1 384.841 3.686 20 5 GHBDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000554387251 855896837 /nfs/dbraw/zinc/89/68/37/855896837.db2.gz FGKQQANAVRITTE-VIFPVBQESA-N -1 1 394.396 3.585 20 5 GHBDMM Cc1cc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)ncc1[N+](=O)[O-] ZINC000301427836 856304982 /nfs/dbraw/zinc/30/49/82/856304982.db2.gz IMCHSHSMZFZPMY-UHFFFAOYSA-N -1 1 398.444 3.711 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1F ZINC000765646898 860377411 /nfs/dbraw/zinc/37/74/11/860377411.db2.gz KZIKQYOIZCJBOG-UHFFFAOYSA-N -1 1 385.392 3.803 20 5 GHBDMM C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001212187787 860917643 /nfs/dbraw/zinc/91/76/43/860917643.db2.gz HFQXYSANEHTZII-GOSISDBHSA-N -1 1 394.880 3.938 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000734416345 864210173 /nfs/dbraw/zinc/21/01/73/864210173.db2.gz QYJCJBZECXDQME-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000736340766 865183792 /nfs/dbraw/zinc/18/37/92/865183792.db2.gz NQMMEEMKXMJHDN-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000063700365 865231786 /nfs/dbraw/zinc/23/17/86/865231786.db2.gz UXKMPLUCRHXQOD-UHFFFAOYSA-N -1 1 397.460 3.531 20 5 GHBDMM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000742307408 867191210 /nfs/dbraw/zinc/19/12/10/867191210.db2.gz UJNTZLYMKBBHEE-GFCCVEGCSA-N -1 1 398.868 3.729 20 5 GHBDMM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007412 867633268 /nfs/dbraw/zinc/63/32/68/867633268.db2.gz YDKWMOKRABTZHU-HNNXBMFYSA-N -1 1 383.429 3.779 20 5 GHBDMM COc1ccc(CSCc2nc(-c3ccc([O-])c(F)c3)no2)cc1[N+](=O)[O-] ZINC000445477631 868502544 /nfs/dbraw/zinc/50/25/44/868502544.db2.gz OFDXKFNVCHRFKJ-UHFFFAOYSA-N -1 1 391.380 3.932 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(-c2ccccc2)c1C ZINC000540210956 870774086 /nfs/dbraw/zinc/77/40/86/870774086.db2.gz MVVOFZOWUZRDMI-UHFFFAOYSA-N -1 1 386.433 3.657 20 5 GHBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1Cc1c(F)cccc1F ZINC000446975640 870795936 /nfs/dbraw/zinc/79/59/36/870795936.db2.gz SCDGGYVNYJNZEM-UHFFFAOYSA-N -1 1 378.360 3.809 20 5 GHBDMM O=C([O-])/C=C\c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920959670 882474411 /nfs/dbraw/zinc/47/44/11/882474411.db2.gz GSXKLZKBCDHILP-YPLUBFQTSA-N -1 1 385.420 3.925 20 5 GHBDMM COc1cc(CSc2nc(C)c(C)c(=O)[n-]2)c([N+](=O)[O-])cc1OC(F)F ZINC000540711623 872006316 /nfs/dbraw/zinc/00/63/16/872006316.db2.gz AKMGDLAGVLYKGI-UHFFFAOYSA-N -1 1 387.364 3.610 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001197069341 873576474 /nfs/dbraw/zinc/57/64/74/873576474.db2.gz IMJNAUMEOWRSMO-UHFFFAOYSA-N -1 1 396.274 3.925 20 5 GHBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cc1[N+](=O)[O-] ZINC000107197694 876321659 /nfs/dbraw/zinc/32/16/59/876321659.db2.gz KDGGMSOOUIQMML-UHFFFAOYSA-N -1 1 399.388 3.506 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)ccc1F ZINC000551474813 877282423 /nfs/dbraw/zinc/28/24/23/877282423.db2.gz RBJNORBPOQHEMA-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCOC(=O)c1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000615705637 878053461 /nfs/dbraw/zinc/05/34/61/878053461.db2.gz YECFUKAPZNKQQF-UHFFFAOYSA-N -1 1 398.415 3.576 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n[nH]c1-c1ccccc1 ZINC000538004058 878657796 /nfs/dbraw/zinc/65/77/96/878657796.db2.gz HIFMLLVIYBQYDB-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000789930614 879337839 /nfs/dbraw/zinc/33/78/39/879337839.db2.gz VUSBWNOUSRNNHU-UHFFFAOYSA-N -1 1 376.800 3.591 20 5 GHBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3F)on2)c(C)c([N+](=O)[O-])c1 ZINC000617152015 879444440 /nfs/dbraw/zinc/44/44/40/879444440.db2.gz WGLNCRQSACFVEW-UHFFFAOYSA-N -1 1 399.334 3.736 20 5 GHBDMM COc1ccc(-n2c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc3ccccc32)cc1 ZINC000461254039 879498214 /nfs/dbraw/zinc/49/82/14/879498214.db2.gz ZIGXNIOYGDIUOY-UHFFFAOYSA-N -1 1 377.360 3.523 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 ZINC000609410922 883144670 /nfs/dbraw/zinc/14/46/70/883144670.db2.gz NOSXEWFRZLGRPR-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000761889827 884930440 /nfs/dbraw/zinc/93/04/40/884930440.db2.gz QXWZJYMJLSBKLU-UHFFFAOYSA-N -1 1 399.812 3.536 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)ccc1Cl ZINC000863426369 887097216 /nfs/dbraw/zinc/09/72/16/887097216.db2.gz CKHLJOPSLKNHDU-UHFFFAOYSA-N -1 1 396.852 3.943 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(Cl)c1Cl ZINC000763085302 887639120 /nfs/dbraw/zinc/63/91/20/887639120.db2.gz GKWMFXPKXMDDDR-UHFFFAOYSA-N -1 1 395.195 3.850 20 5 GHBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000809810653 887819952 /nfs/dbraw/zinc/81/99/52/887819952.db2.gz HOWLVFHVCCZPPT-MRVPVSSYSA-N -1 1 378.834 3.797 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(Cl)cc1Cl ZINC000809812628 887821364 /nfs/dbraw/zinc/82/13/64/887821364.db2.gz UMCPSUUCBATTTE-UHFFFAOYSA-N -1 1 397.186 3.658 20 5 GHBDMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016722075 889146548 /nfs/dbraw/zinc/14/65/48/889146548.db2.gz WAZDWFCNCTYCTB-UHFFFAOYSA-N -1 1 377.382 3.655 20 5 GHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N(C)C(C)C)c(F)c1 ZINC000917746156 892497005 /nfs/dbraw/zinc/49/70/05/892497005.db2.gz DIYMGXRKSFTYJT-UHFFFAOYSA-N -1 1 381.429 3.688 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000332630133 899811916 /nfs/dbraw/zinc/81/19/16/899811916.db2.gz PGFHKIPZEDOVKH-UHFFFAOYSA-N -1 1 376.434 3.726 20 5 GHBDMM CC1(C)CC[C@@H]2C[C@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801361 899816279 /nfs/dbraw/zinc/81/62/79/899816279.db2.gz DXMUFQNTRXOXJY-ABAIWWIYSA-N -1 1 391.435 3.882 20 5 GHBDMM CC1(C)CC[C@@H]2C[C@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c3cccc1c32 ZINC000824801361 899816286 /nfs/dbraw/zinc/81/62/86/899816286.db2.gz DXMUFQNTRXOXJY-ABAIWWIYSA-N -1 1 391.435 3.882 20 5 GHBDMM COc1cc([N+](=O)[O-])ccc1CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000572618696 900234816 /nfs/dbraw/zinc/23/48/16/900234816.db2.gz CPLSGCVCPOUNSK-UHFFFAOYSA-N -1 1 384.432 3.756 20 5 GHBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC001186624325 914668358 /nfs/dbraw/zinc/66/83/58/914668358.db2.gz FPJDSNPPKBOQQP-UHFFFAOYSA-N -1 1 382.869 3.813 20 5 GHBDMM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1ccc([O-])c(Cl)c1 ZINC001295292085 903800626 /nfs/dbraw/zinc/80/06/26/903800626.db2.gz KDCFXTRQUPJRKU-UHFFFAOYSA-N -1 1 385.601 3.898 20 5 GHBDMM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001175576517 907642719 /nfs/dbraw/zinc/64/27/19/907642719.db2.gz DWXYVISOZXQBRE-YOEHRIQHSA-N -1 1 391.468 3.522 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(Br)c1 ZINC000193447965 908394481 /nfs/dbraw/zinc/39/44/81/908394481.db2.gz RMASRYIIJMSEMK-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000780071640 921570333 /nfs/dbraw/zinc/57/03/33/921570333.db2.gz JKZKRDATKBHBDD-LLVKDONJSA-N -1 1 392.795 3.755 20 5 GHBDMM CCOc1ccc(-c2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)co2)cc1 ZINC000780073142 921591577 /nfs/dbraw/zinc/59/15/77/921591577.db2.gz ZTGFYYFOUHAFNK-UHFFFAOYSA-N -1 1 384.344 3.711 20 5 GHBDMM CC(C)Cc1ccc(Br)cc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212892958 911364147 /nfs/dbraw/zinc/36/41/47/911364147.db2.gz FVPSKFNCANUQRI-UHFFFAOYSA-N -1 1 392.213 3.996 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000780074516 921720494 /nfs/dbraw/zinc/72/04/94/921720494.db2.gz FTDDDVLAJQBCLK-QMMMGPOBSA-N -1 1 399.186 3.791 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC001188406514 915955333 /nfs/dbraw/zinc/95/53/33/915955333.db2.gz FAOGNWWINCBPPT-UHFFFAOYSA-N -1 1 380.853 3.549 20 5 GHBDMM COc1ccc(Cl)cc1-c1noc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212972743 916159161 /nfs/dbraw/zinc/15/91/61/916159161.db2.gz HUDBJYDMUMQQBJ-UHFFFAOYSA-N -1 1 389.677 3.716 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc4ccncc43)no2)n[n-]c1C(F)(F)F ZINC001212972980 916164352 /nfs/dbraw/zinc/16/43/52/916164352.db2.gz OXSXUENSZLSYFK-UHFFFAOYSA-N -1 1 376.254 3.602 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cc(Cl)ccc3F)no2)n[n-]c1C(F)(F)F ZINC001212973126 916166226 /nfs/dbraw/zinc/16/62/26/916166226.db2.gz RMFASVIGXQANJA-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001189587706 916761688 /nfs/dbraw/zinc/76/16/88/916761688.db2.gz NVMMPYIEECOTLZ-KRWDZBQOSA-N -1 1 391.493 3.963 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)c(Cl)cc1Cl ZINC001190595636 917437294 /nfs/dbraw/zinc/43/72/94/917437294.db2.gz RHIAAIGGHZDZBE-SHVIVCPWSA-N -1 1 379.265 3.759 20 5 GHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000007419388 919207881 /nfs/dbraw/zinc/20/78/81/919207881.db2.gz JMALGKJCNPVRQC-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(F)cc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC000751733170 928353949 /nfs/dbraw/zinc/35/39/49/928353949.db2.gz ZWVDRWFPPFIHEF-SECBINFHSA-N -1 1 396.758 3.585 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000784217634 931819465 /nfs/dbraw/zinc/81/94/65/931819465.db2.gz SXNRNVRMIAUSNT-SECBINFHSA-N -1 1 389.751 3.922 20 5 GHBDMM CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598442039 991857537 /nfs/dbraw/zinc/85/75/37/991857537.db2.gz LFTOEELMGOKHQM-GDBMZVCRSA-N -1 1 399.230 3.693 20 5 GHBDMM C[C@](NCc1ccc(F)cc1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593299079 994719755 /nfs/dbraw/zinc/71/97/55/994719755.db2.gz QEPXKERTMBMCOI-MRXNPFEDSA-N -1 1 386.301 3.842 20 5 GHBDMM C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593699702 996171685 /nfs/dbraw/zinc/17/16/85/996171685.db2.gz WJJIZYBEQHLJHC-GFCCVEGCSA-N -1 1 378.812 3.905 20 5 GHBDMM CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599064718 999291014 /nfs/dbraw/zinc/29/10/14/999291014.db2.gz ZUVLZFNKYJIQSW-APPDUMDISA-N -1 1 378.812 3.812 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000777933710 1017874680 /nfs/dbraw/zinc/87/46/80/1017874680.db2.gz VQNPNHISEQQYNJ-UHFFFAOYSA-N -1 1 392.412 3.774 20 5 GHBDMM CSc1ccncc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755018179 1023024585 /nfs/dbraw/zinc/02/45/85/1023024585.db2.gz SVKPHTZNGHXHRC-UHFFFAOYSA-N -1 1 386.202 3.866 20 5 GHBDMM CC(C)[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001211458920 1027970309 /nfs/dbraw/zinc/97/03/09/1027970309.db2.gz HMQJMYKAHINFNJ-YOEHRIQHSA-N -1 1 380.491 3.894 20 5 GHBDMM CCc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC001211462027 1027971162 /nfs/dbraw/zinc/97/11/62/1027971162.db2.gz VYQCYAJSAIUIMI-AWEZNQCLSA-N -1 1 396.852 3.613 20 5 GHBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001149656952 1030257407 /nfs/dbraw/zinc/25/74/07/1030257407.db2.gz ADETZWOUSGDMOE-OAHLLOKOSA-N -1 1 380.404 3.694 20 5 GHBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001153462241 1031603890 /nfs/dbraw/zinc/60/38/90/1031603890.db2.gz SJDXBWZTHGHNOJ-UHFFFAOYSA-N -1 1 376.731 3.531 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1Cc2cccc3cccc1c23 ZINC001226308901 1031910253 /nfs/dbraw/zinc/91/02/53/1031910253.db2.gz ZRXUIVUURDEEBC-OAHLLOKOSA-N -1 1 380.356 3.702 20 5 GHBDMM CCCCC(=O)[C@@H](CCCC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226310693 1031911453 /nfs/dbraw/zinc/91/14/53/1031911453.db2.gz QADVSWHEEPOMDO-CQSZACIVSA-N -1 1 382.413 3.569 20 5 GHBDMM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397964 1033456649 /nfs/dbraw/zinc/45/66/49/1033456649.db2.gz OTZBRVIBYPIXFH-MPYYAJLASA-N -1 1 378.425 3.715 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2C[C@H]3CC[C@@H]([C@@H]2F)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001229750273 1033684626 /nfs/dbraw/zinc/68/46/26/1033684626.db2.gz LWKJAUIRHHXUOB-YIFBXAAPSA-N -1 1 396.415 3.866 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741797 1040267539 /nfs/dbraw/zinc/26/75/39/1040267539.db2.gz MFCQKUVPJNZPTB-JSGCOSHPSA-N -1 1 398.411 3.858 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)CC(C)(C)OC)cc3c(=O)c12 ZINC001234795565 1040326865 /nfs/dbraw/zinc/32/68/65/1040326865.db2.gz GMUAJCLMVNHMBP-NSHDSACASA-N -1 1 388.416 3.948 20 5 GHBDMM CC1(C)CCc2c(c(O)cc3oc4cc([O-])cc(OC[C@@H]5CCO5)c4c(=O)c32)O1 ZINC001234799160 1040330287 /nfs/dbraw/zinc/33/02/87/1040330287.db2.gz NJSAZXYIIGQXGT-LBPRGKRZSA-N -1 1 398.411 3.629 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234875501 1040390129 /nfs/dbraw/zinc/39/01/29/1040390129.db2.gz SRNSEJFVJUQEGE-MWLCHTKSSA-N -1 1 388.214 3.564 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234877616 1040390975 /nfs/dbraw/zinc/39/09/75/1040390975.db2.gz PHFPZMBECVGUAM-ONGXEEELSA-N -1 1 388.214 3.564 20 5 GHBDMM CC(C)Oc1ccc(COc2c([O-])cc(Br)cc2[N+](=O)[O-])cn1 ZINC001234878201 1040393135 /nfs/dbraw/zinc/39/31/35/1040393135.db2.gz SSLVFOJJBIVZKD-UHFFFAOYSA-N -1 1 383.198 3.824 20 5 GHBDMM O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306826126 1048917369 /nfs/dbraw/zinc/91/73/69/1048917369.db2.gz OIDPBJRYRVMXHA-LJQANCHMSA-N -1 1 375.384 3.780 20 5 GHBDMM CCc1cc2c(CN3CCc4cc(C)c([N+](=O)[O-])cc43)cc(=O)oc2cc1[O-] ZINC001307640176 1049468419 /nfs/dbraw/zinc/46/84/19/1049468419.db2.gz WIJRECOAGDLDOE-UHFFFAOYSA-N -1 1 380.400 3.840 20 5 GHBDMM C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309191002 1050450854 /nfs/dbraw/zinc/45/08/54/1050450854.db2.gz QTXXOHVDNHXKDN-MNOVXSKESA-N -1 1 378.853 3.882 20 5 GHBDMM CC(C)CC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC001309310004 1050580510 /nfs/dbraw/zinc/58/05/10/1050580510.db2.gz DTTNSDVWHFMMNE-UHFFFAOYSA-N -1 1 378.853 3.882 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC001309418162 1050702652 /nfs/dbraw/zinc/70/26/52/1050702652.db2.gz MAERVBNOKNFWND-HOTGVXAUSA-N -1 1 392.452 3.732 20 5 GHBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001325073482 1057272552 /nfs/dbraw/zinc/27/25/52/1057272552.db2.gz HXDWRHUCCZOTRW-UHFFFAOYSA-N -1 1 391.401 3.548 20 5 GHBDMM CC(=O)c1cccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])c1[O-] ZINC001450593125 1060627328 /nfs/dbraw/zinc/62/73/28/1060627328.db2.gz BLEPIPICMDPNMN-UHFFFAOYSA-N -1 1 379.166 3.518 20 5 GHBDMM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(Cl)ccc2[O-])CC1 ZINC001457767711 1063351714 /nfs/dbraw/zinc/35/17/14/1063351714.db2.gz ZWYHTBPBBGHLPN-UHFFFAOYSA-N -1 1 390.827 3.837 20 5 GHBDMM O=C(Nc1c[n-][nH]c1=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001457823086 1063387794 /nfs/dbraw/zinc/38/77/94/1063387794.db2.gz MXUSEHOYMCSXJS-UHFFFAOYSA-N -1 1 387.783 3.541 20 5 GHBDMM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001474930730 1074637395 /nfs/dbraw/zinc/63/73/95/1074637395.db2.gz HSDUNIPZTFZEHP-HNNXBMFYSA-N -1 1 382.869 3.938 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCCCCc1ccccc1 ZINC001475501766 1074898069 /nfs/dbraw/zinc/89/80/69/1074898069.db2.gz BUKJFHZWDFKXOA-UHFFFAOYSA-N -1 1 380.441 3.815 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC001475786104 1075021594 /nfs/dbraw/zinc/02/15/94/1075021594.db2.gz ASSNIFPMSVBLND-QWHCGFSZSA-N -1 1 398.843 3.544 20 5 GHBDMM C[C@@H](CN(Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(=O)[O-] ZINC000736583910 601088688 /nfs/dbraw/zinc/08/86/88/601088688.db2.gz NCHHSGVBKQBNDI-INIZCTEOSA-N -1 1 394.431 3.639 20 5 GHBDMM C[C@@](NCc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1cccc(Br)c1 ZINC000827741921 601354346 /nfs/dbraw/zinc/35/43/46/601354346.db2.gz XKYFMNWGJWDHQX-INIZCTEOSA-N -1 1 397.200 3.586 20 5 GHBDMM Cc1cc(NC[C@@H](C)N2CCc3sccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000522003284 602313296 /nfs/dbraw/zinc/31/32/96/602313296.db2.gz FXHAHYBNMZAJSF-GFCCVEGCSA-N -1 1 375.450 3.522 20 5 GHBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2nc3ccccc3s2)ccc1-c1nn[n-]n1 ZINC000823634449 606644326 /nfs/dbraw/zinc/64/43/26/606644326.db2.gz FTIHJZPCBYKQNH-CQSZACIVSA-N -1 1 393.432 3.726 20 5 GHBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820462573 606699690 /nfs/dbraw/zinc/69/96/90/606699690.db2.gz YTKLAKKWJSWETG-LURJTMIESA-N -1 1 398.185 3.789 20 5 GHBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000820462573 606699692 /nfs/dbraw/zinc/69/96/92/606699692.db2.gz YTKLAKKWJSWETG-LURJTMIESA-N -1 1 398.185 3.789 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Oc3ccccc3)c2)s1 ZINC000066000507 836478653 /nfs/dbraw/zinc/47/86/53/836478653.db2.gz PFJGSVFZTOSOFK-UHFFFAOYSA-N -1 1 390.442 3.927 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1-c1cccc(Cl)c1 ZINC000612623879 836501112 /nfs/dbraw/zinc/50/11/12/836501112.db2.gz UPVNKWZWIKIOCO-UHFFFAOYSA-N -1 1 398.853 3.809 20 5 GHBDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([O-])ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000376141746 837016883 /nfs/dbraw/zinc/01/68/83/837016883.db2.gz DSKKTRMPWMYIAN-CYBMUJFWSA-N -1 1 380.404 3.505 20 5 GHBDMM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000096875340 841081983 /nfs/dbraw/zinc/08/19/83/841081983.db2.gz GEZFDOULCRNMMW-UHFFFAOYSA-N -1 1 379.276 3.604 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c([N+](=O)[O-])c1 ZINC000584552764 841746705 /nfs/dbraw/zinc/74/67/05/841746705.db2.gz QZJXSTFLKAVYTQ-UHFFFAOYSA-N -1 1 392.767 3.995 20 5 GHBDMM CC(C)OCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000007982457 841991456 /nfs/dbraw/zinc/99/14/56/841991456.db2.gz DMEUYYYLGUWZSO-UHFFFAOYSA-N -1 1 393.465 3.623 20 5 GHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432291269 842551369 /nfs/dbraw/zinc/55/13/69/842551369.db2.gz IGLUZHBJJVTPFA-ZDUSSCGKSA-N -1 1 388.367 3.609 20 5 GHBDMM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188267249 842869307 /nfs/dbraw/zinc/86/93/07/842869307.db2.gz XCDZPQJBPXAQAO-SNVBAGLBSA-N -1 1 384.417 3.618 20 5 GHBDMM O=[P@]([O-])(O)C1(Nc2ncnc3cc4ccccc4cc32)Cc2ccccc2C1 ZINC001167934393 844717081 /nfs/dbraw/zinc/71/70/81/844717081.db2.gz IPIMDVBZEHNCJR-UHFFFAOYSA-N -1 1 391.367 3.868 20 5 GHBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000176675417 847374545 /nfs/dbraw/zinc/37/45/45/847374545.db2.gz CVGGEOXXTKUGHX-UHFFFAOYSA-N -1 1 380.731 3.775 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000604117370 861794566 /nfs/dbraw/zinc/79/45/66/861794566.db2.gz MADVTPQCEILLGP-UHFFFAOYSA-N -1 1 375.431 3.828 20 5 GHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1nc(C)cs1 ZINC000176694330 847751882 /nfs/dbraw/zinc/75/18/82/847751882.db2.gz HIIKIKNMFWVXER-LLVKDONJSA-N -1 1 389.886 3.751 20 5 GHBDMM C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000503834579 847959577 /nfs/dbraw/zinc/95/95/77/847959577.db2.gz WSLALQIDLDGWAB-SECBINFHSA-N -1 1 394.396 3.585 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000731782707 861890317 /nfs/dbraw/zinc/89/03/17/861890317.db2.gz FCSOZDZUWJNKNE-UHFFFAOYSA-N -1 1 397.403 3.582 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505313787 850825723 /nfs/dbraw/zinc/82/57/23/850825723.db2.gz VTMYIYAGUHOIPH-UHFFFAOYSA-N -1 1 385.401 3.891 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1C ZINC000515633768 851277413 /nfs/dbraw/zinc/27/74/13/851277413.db2.gz WTLLVEAHMXDAIB-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM O=[N+]([O-])c1ccc(O)cc1CSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000436477702 851965782 /nfs/dbraw/zinc/96/57/82/851965782.db2.gz ZAZJJDQWTOIBLY-UHFFFAOYSA-N -1 1 392.437 3.617 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000490607828 853133169 /nfs/dbraw/zinc/13/31/69/853133169.db2.gz LQKGXFGPDOEEMK-UHFFFAOYSA-N -1 1 395.272 3.790 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000481896174 862506182 /nfs/dbraw/zinc/50/61/82/862506182.db2.gz FBPIXQRNZHIXNC-UHFFFAOYSA-N -1 1 390.248 3.968 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCCSC1 ZINC000301576603 855246048 /nfs/dbraw/zinc/24/60/48/855246048.db2.gz YWOCDISKTYFAOE-CQSZACIVSA-N -1 1 393.490 3.703 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H]1CCCS1 ZINC000301602585 855337730 /nfs/dbraw/zinc/33/77/30/855337730.db2.gz KKHFDPGPHUGACO-CQSZACIVSA-N -1 1 393.490 3.703 20 5 GHBDMM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])c21 ZINC000485894300 857183058 /nfs/dbraw/zinc/18/30/58/857183058.db2.gz BGJQROXMBJYALV-UHFFFAOYSA-N -1 1 393.852 3.559 20 5 GHBDMM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000760605714 857980993 /nfs/dbraw/zinc/98/09/93/857980993.db2.gz OJAXIXSTTJEYSP-UHFFFAOYSA-N -1 1 390.889 3.514 20 5 GHBDMM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000594728202 858266100 /nfs/dbraw/zinc/26/61/00/858266100.db2.gz DYAZCPDNBRNOAF-UHFFFAOYSA-N -1 1 388.367 3.906 20 5 GHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1[N+](=O)[O-] ZINC000480230622 864276121 /nfs/dbraw/zinc/27/61/21/864276121.db2.gz WRHSUOVDCDVZQE-UHFFFAOYSA-N -1 1 376.768 3.944 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c(F)c1 ZINC000174287342 865674143 /nfs/dbraw/zinc/67/41/43/865674143.db2.gz MINFCEWWEQXMAY-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742305837 867188210 /nfs/dbraw/zinc/18/82/10/867188210.db2.gz AOEBGTROGYOVFZ-OAHLLOKOSA-N -1 1 380.441 3.814 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n[nH]c1-c1ccccc1 ZINC000479143591 867234374 /nfs/dbraw/zinc/23/43/74/867234374.db2.gz VACWYLNYUPEBFT-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)c1 ZINC000115150406 882241348 /nfs/dbraw/zinc/24/13/48/882241348.db2.gz RJFBXGGKILTQKT-UHFFFAOYSA-N -1 1 399.388 3.891 20 5 GHBDMM CNc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000539799790 869784101 /nfs/dbraw/zinc/78/41/01/869784101.db2.gz LGNUZTKALFERRB-UHFFFAOYSA-N -1 1 380.198 3.665 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(F)c2)s1 ZINC000447162486 871120831 /nfs/dbraw/zinc/12/08/31/871120831.db2.gz IZDDREPNYUIHNV-QGZVFWFLSA-N -1 1 392.433 3.863 20 5 GHBDMM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000301267073 872922340 /nfs/dbraw/zinc/92/23/40/872922340.db2.gz WMIZVWFELGMDMH-SECBINFHSA-N -1 1 398.297 3.961 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464210509 873404493 /nfs/dbraw/zinc/40/44/93/873404493.db2.gz XVUHOODRZWBIGL-UHFFFAOYSA-N -1 1 393.223 3.562 20 5 GHBDMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000443826611 875918657 /nfs/dbraw/zinc/91/86/57/875918657.db2.gz PCPWQJGGUPUFLZ-JTQLQIEISA-N -1 1 393.421 3.562 20 5 GHBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1Cl ZINC000788218197 877926114 /nfs/dbraw/zinc/92/61/14/877926114.db2.gz YPRUGXBWXIZNPG-UHFFFAOYSA-N -1 1 392.176 3.611 20 5 GHBDMM COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])cc(C)c3F)s2)cc1 ZINC000788310450 878014021 /nfs/dbraw/zinc/01/40/21/878014021.db2.gz ZRORXLQDRQRFBH-UHFFFAOYSA-N -1 1 388.380 3.822 20 5 GHBDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000032060248 883968035 /nfs/dbraw/zinc/96/80/35/883968035.db2.gz NHZCJWVZKUBGML-UHFFFAOYSA-N -1 1 383.433 3.771 20 5 GHBDMM O=C(CSc1nc(-c2ccccc2)cs1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000916601865 889170101 /nfs/dbraw/zinc/17/01/01/889170101.db2.gz BEDDEJUULMTMCT-UHFFFAOYSA-N -1 1 399.453 3.767 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000563258337 893535627 /nfs/dbraw/zinc/53/56/27/893535627.db2.gz JKDHTSAHZCYFJQ-UHFFFAOYSA-N -1 1 387.783 3.684 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc([N+](=O)[O-])c1F ZINC000131856713 897592099 /nfs/dbraw/zinc/59/20/99/897592099.db2.gz BIGVXQQTJXKQJZ-UHFFFAOYSA-N -1 1 382.413 3.768 20 5 GHBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158635452 901921351 /nfs/dbraw/zinc/92/13/51/901921351.db2.gz ZAHJGTVDSHINBB-UHFFFAOYSA-N -1 1 397.840 3.706 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000576381937 901985978 /nfs/dbraw/zinc/98/59/78/901985978.db2.gz MIYIQCZRNRBHKF-UHFFFAOYSA-N -1 1 390.339 3.699 20 5 GHBDMM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000078923790 907507907 /nfs/dbraw/zinc/50/79/07/907507907.db2.gz AONZWGVKCPPZFE-UHFFFAOYSA-N -1 1 398.868 3.729 20 5 GHBDMM CC1(C)CCC(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001188907244 916291666 /nfs/dbraw/zinc/29/16/66/916291666.db2.gz GPPIHXLRPJMFRI-UHFFFAOYSA-N -1 1 378.853 3.882 20 5 GHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001190026567 917062618 /nfs/dbraw/zinc/06/26/18/917062618.db2.gz ZGDNADMUJIFIEF-HUUCEWRRSA-N -1 1 378.425 3.739 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(c3ccccc3F)CCC2)cc1F ZINC001192082985 918379012 /nfs/dbraw/zinc/37/90/12/918379012.db2.gz CNZBAABNMDOUIW-UHFFFAOYSA-N -1 1 396.415 3.582 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000010516451 924224911 /nfs/dbraw/zinc/22/49/11/924224911.db2.gz XJXVROSKGAAOPO-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725823806 926459659 /nfs/dbraw/zinc/45/96/59/926459659.db2.gz GEYLUJKESCLMHW-UHFFFAOYSA-N -1 1 384.841 3.514 20 5 GHBDMM C/C(=C/C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000752357132 928790900 /nfs/dbraw/zinc/79/09/00/928790900.db2.gz XLINQAFCWLIRQH-WQLSENKSSA-N -1 1 381.340 3.554 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1-c1ccccc1 ZINC000544626726 929361340 /nfs/dbraw/zinc/36/13/40/929361340.db2.gz PPCMXCSUQYYAMQ-UHFFFAOYSA-N -1 1 386.433 3.711 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c2cccnc12 ZINC000546621228 930301852 /nfs/dbraw/zinc/30/18/52/930301852.db2.gz LKBABEVIXNITSX-UHFFFAOYSA-N -1 1 387.417 3.569 20 5 GHBDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000546728685 930387098 /nfs/dbraw/zinc/38/70/98/930387098.db2.gz WLJZDIKJPPRYRM-UHFFFAOYSA-N -1 1 381.344 3.582 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)c1 ZINC000782518441 931253356 /nfs/dbraw/zinc/25/33/56/931253356.db2.gz XSFVXIOXVFGBRN-SECBINFHSA-N -1 1 388.795 3.812 20 5 GHBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559148748 932463876 /nfs/dbraw/zinc/46/38/76/932463876.db2.gz VUMAOGBJFIBVIS-UHFFFAOYSA-N -1 1 386.233 3.736 20 5 GHBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC001118251975 934120763 /nfs/dbraw/zinc/12/07/63/934120763.db2.gz YFFLMWMZZSOUJZ-UHFFFAOYSA-N -1 1 381.388 3.814 20 5 GHBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC001589459095 954857523 /nfs/dbraw/zinc/85/75/23/954857523.db2.gz VZRZLXDXUZXTMJ-DZKIICNBSA-N -1 1 394.468 3.571 20 5 GHBDMM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001599654935 994563291 /nfs/dbraw/zinc/56/32/91/994563291.db2.gz CWWPCHHVKFEYQW-GOSISDBHSA-N -1 1 378.812 3.737 20 5 GHBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H](C)c3cncnc3)c([N+](=O)[O-])c2)cc1 ZINC001227702605 1032522862 /nfs/dbraw/zinc/52/28/62/1032522862.db2.gz PHRQFOCMAQJHLV-ZDUSSCGKSA-N -1 1 379.372 3.770 20 5 GHBDMM COc1cc(/C=C/c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)cc([N+](=O)[O-])c1O ZINC000562288406 1018096373 /nfs/dbraw/zinc/09/63/73/1018096373.db2.gz JQBVGMYCNBZKGE-SNAWJCMRSA-N -1 1 398.375 3.503 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000748611883 1021702756 /nfs/dbraw/zinc/70/27/56/1021702756.db2.gz FFMDUDCWUCSKKC-UHFFFAOYSA-N -1 1 375.450 3.613 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c(Cl)cc1Cl ZINC000832187248 1025299028 /nfs/dbraw/zinc/29/90/28/1025299028.db2.gz JRCCQMMYGPIFAA-SSDOTTSWSA-N -1 1 389.207 3.615 20 5 GHBDMM CCCCn1ncc([N-]c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1C(C)C ZINC001163205806 1026087350 /nfs/dbraw/zinc/08/73/50/1026087350.db2.gz XNDXBJWJJNAKLK-UHFFFAOYSA-N -1 1 375.429 3.948 20 5 GHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001213396065 1028162851 /nfs/dbraw/zinc/16/28/51/1028162851.db2.gz WYVCVRRHYWIXTF-KRWDZBQOSA-N -1 1 393.440 3.729 20 5 GHBDMM O=[N+]([O-])c1cc(F)c([O-])cc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001216951935 1030025895 /nfs/dbraw/zinc/02/58/95/1030025895.db2.gz VZPFTXZVJQRDJL-WEVVVXLNSA-N -1 1 397.366 3.618 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001229749647 1033685140 /nfs/dbraw/zinc/68/51/40/1033685140.db2.gz GFEOXMAKDHHABL-RDBSUJKOSA-N -1 1 378.425 3.776 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC001229751198 1033685907 /nfs/dbraw/zinc/68/59/07/1033685907.db2.gz SFQJQPTVDIWOID-APWZRJJASA-N -1 1 378.425 3.777 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1[N+](=O)[O-] ZINC001229751210 1033686166 /nfs/dbraw/zinc/68/61/66/1033686166.db2.gz SJTHSBJFOQRUTP-WFASDCNBSA-N -1 1 384.404 3.725 20 5 GHBDMM Cc1cc[nH+]c(N2CCC(Oc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CC2)c1 ZINC001233505577 1039395458 /nfs/dbraw/zinc/39/54/58/1039395458.db2.gz AOZWEAWSPHEITM-UHFFFAOYSA-N -1 1 387.827 3.876 20 5 GHBDMM CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(OC[C@@H]2CCO2)c1[O-] ZINC001234332451 1039971808 /nfs/dbraw/zinc/97/18/08/1039971808.db2.gz VTYBDMWSMYJGKV-ZDUSSCGKSA-N -1 1 398.411 3.739 20 5 GHBDMM COC(=O)CC1CCC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)CC1 ZINC001234740941 1040265581 /nfs/dbraw/zinc/26/55/81/1040265581.db2.gz CFSLWSGUTMKPLI-UHFFFAOYSA-N -1 1 398.411 3.858 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@H](C)c4nccs4)cc([O-])cc3oc21 ZINC001234752153 1040278966 /nfs/dbraw/zinc/27/89/66/1040278966.db2.gz VHMFDJUUFMIDNG-SECBINFHSA-N -1 1 385.397 3.963 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CCOC(C)(C)C4)cc3c(=O)c12 ZINC001234798757 1040329676 /nfs/dbraw/zinc/32/96/76/1040329676.db2.gz FGRZAEGAURGZGI-LBPRGKRZSA-N -1 1 386.400 3.702 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)C4CCOCC4)cc3c(=O)c12 ZINC001234799405 1040330005 /nfs/dbraw/zinc/33/00/05/1040330005.db2.gz PDBQLTWOLVERAX-LLVKDONJSA-N -1 1 386.400 3.560 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H](C)C4CCOCC4)cc3c(=O)c12 ZINC001234799406 1040330518 /nfs/dbraw/zinc/33/05/18/1040330518.db2.gz PDBQLTWOLVERAX-NSHDSACASA-N -1 1 386.400 3.560 20 5 GHBDMM Nc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cc(Br)cc1[N+](=O)[O-] ZINC001256685682 1043621183 /nfs/dbraw/zinc/62/11/83/1043621183.db2.gz NCIGTLRYNWVHFB-UHFFFAOYSA-N -1 1 386.589 3.551 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001463104381 1070796717 /nfs/dbraw/zinc/79/67/17/1070796717.db2.gz ZTVPQAPJORUEAU-GARJFASQSA-N -1 1 376.837 3.634 20 5 GHBDMM O=C([N-]c1nnc(-c2cccc(C(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cn1 ZINC001287617758 1048852650 /nfs/dbraw/zinc/85/26/50/1048852650.db2.gz CSVWGEOQSKGPJR-UHFFFAOYSA-N -1 1 395.322 3.779 20 5 GHBDMM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cc1 ZINC001309256209 1050526375 /nfs/dbraw/zinc/52/63/75/1050526375.db2.gz ZYQBXRXFSCOKIG-UHFFFAOYSA-N -1 1 392.408 3.781 20 5 GHBDMM O=C(Nc1nc2c(cccc2OCC(F)(F)F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC001456906293 1062913752 /nfs/dbraw/zinc/91/37/52/1062913752.db2.gz ZFKCIUGYACAAAE-UHFFFAOYSA-N -1 1 386.311 3.726 20 5 GHBDMM O=C(CSc1cc(Cl)ccc1Cl)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000849120409 1067737485 /nfs/dbraw/zinc/73/74/85/1067737485.db2.gz RVZIPQAEQCSGIT-UHFFFAOYSA-N -1 1 385.228 3.950 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)cc1Cl ZINC000849474231 1067856428 /nfs/dbraw/zinc/85/64/28/1067856428.db2.gz ZWEIAWROTZDKCF-UHFFFAOYSA-N -1 1 398.790 3.634 20 5 GHBDMM CCc1nc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[n-]c(=O)c1C ZINC000849921543 1068002249 /nfs/dbraw/zinc/00/22/49/1068002249.db2.gz PCBZTNHSDNDPEX-SECBINFHSA-N -1 1 396.856 3.734 20 5 GHBDMM COc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc(Cl)n1 ZINC001460762911 1069163217 /nfs/dbraw/zinc/16/32/17/1069163217.db2.gz YSPIBDCZSWQERF-UHFFFAOYSA-N -1 1 392.618 3.728 20 5 GHBDMM CSc1ccc(CSCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001473026232 1073754652 /nfs/dbraw/zinc/75/46/52/1073754652.db2.gz GTCKYYSIOIWXPR-UHFFFAOYSA-N -1 1 376.459 3.507 20 5 GHBDMM Cc1cccc2c(CC[N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])c[nH]c21 ZINC001475069488 1074722727 /nfs/dbraw/zinc/72/27/27/1074722727.db2.gz TXRUWRUUHLVCIL-UHFFFAOYSA-N -1 1 393.852 3.559 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Oc2ccccc2)cc1 ZINC000823629975 607161801 /nfs/dbraw/zinc/16/18/01/607161801.db2.gz OQKBQGHYBYYOMK-UHFFFAOYSA-N -1 1 376.332 3.755 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Oc2ccccc2)cc1 ZINC000823629975 607161803 /nfs/dbraw/zinc/16/18/03/607161803.db2.gz OQKBQGHYBYYOMK-UHFFFAOYSA-N -1 1 376.332 3.755 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)c1 ZINC000826293211 608350174 /nfs/dbraw/zinc/35/01/74/608350174.db2.gz FZOYMQMPSMTUGC-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c1 ZINC000826293211 608350176 /nfs/dbraw/zinc/35/01/76/608350176.db2.gz FZOYMQMPSMTUGC-UHFFFAOYSA-N -1 1 386.437 3.695 20 5 GHBDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1 ZINC000584291514 835849309 /nfs/dbraw/zinc/84/93/09/835849309.db2.gz UOUKQVWQLKNBDM-UHFFFAOYSA-N -1 1 391.449 3.697 20 5 GHBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000556350574 838295987 /nfs/dbraw/zinc/29/59/87/838295987.db2.gz FHWSZJPFVDHLAW-UHFFFAOYSA-N -1 1 376.434 3.896 20 5 GHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000108427661 841611190 /nfs/dbraw/zinc/61/11/90/841611190.db2.gz HSBLCEUMTHHJEM-UHFFFAOYSA-N -1 1 377.205 3.711 20 5 GHBDMM COc1ccc(-c2nnc([N-]C(=O)c3c(C)c(F)ccc3[N+](=O)[O-])s2)cc1 ZINC001266788413 841962751 /nfs/dbraw/zinc/96/27/51/841962751.db2.gz NMCCZZPQUJKHSP-UHFFFAOYSA-N -1 1 388.380 3.822 20 5 GHBDMM CN(Cc1ccco1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008054177 842014850 /nfs/dbraw/zinc/01/48/50/842014850.db2.gz GFUBQNOXSYGELI-UHFFFAOYSA-N -1 1 387.417 3.625 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000511904879 842345004 /nfs/dbraw/zinc/34/50/04/842345004.db2.gz DMQAQULIRHXIPO-CYBMUJFWSA-N -1 1 387.244 3.867 20 5 GHBDMM CC(C)c1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c1[N+](=O)[O-] ZINC000433844112 845462846 /nfs/dbraw/zinc/46/28/46/845462846.db2.gz XOZGEOYMJPOSLZ-UHFFFAOYSA-N -1 1 397.439 3.776 20 5 GHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599751096 861610650 /nfs/dbraw/zinc/61/06/50/861610650.db2.gz AQSAQTKTDDAUBK-UHFFFAOYSA-N -1 1 394.229 3.706 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000127519815 847026414 /nfs/dbraw/zinc/02/64/14/847026414.db2.gz YYFVODBIXCKXGB-UHFFFAOYSA-N -1 1 393.852 3.746 20 5 GHBDMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000479752089 847839707 /nfs/dbraw/zinc/83/97/07/847839707.db2.gz IXNRWKMHPPRKRN-UHFFFAOYSA-N -1 1 385.286 3.657 20 5 GHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000522509280 861907490 /nfs/dbraw/zinc/90/74/90/861907490.db2.gz SGONROUQWFGMQV-UHFFFAOYSA-N -1 1 398.824 3.534 20 5 GHBDMM CCN(CC)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC000519544498 851358343 /nfs/dbraw/zinc/35/83/43/851358343.db2.gz OXSWZVKWUDPIML-OAHLLOKOSA-N -1 1 392.843 3.836 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000488293880 851369209 /nfs/dbraw/zinc/36/92/09/851369209.db2.gz JUQKNTXAFMQYAC-UHFFFAOYSA-N -1 1 391.380 3.538 20 5 GHBDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000438710316 852758649 /nfs/dbraw/zinc/75/86/49/852758649.db2.gz AHYFZFUFJSOBNO-GFCCVEGCSA-N -1 1 392.433 3.696 20 5 GHBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000438815077 852877794 /nfs/dbraw/zinc/87/77/94/852877794.db2.gz PJJPEZRAFIZFLQ-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000518658113 853620124 /nfs/dbraw/zinc/62/01/24/853620124.db2.gz OGXGCPMAPZULJG-UHFFFAOYSA-N -1 1 398.868 3.556 20 5 GHBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1[O-] ZINC000588100017 854127402 /nfs/dbraw/zinc/12/74/02/854127402.db2.gz KCENHTLPSVKJEW-UHFFFAOYSA-N -1 1 396.808 3.715 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000590083785 855261313 /nfs/dbraw/zinc/26/13/13/855261313.db2.gz QJENWVBEEXTNNS-UHFFFAOYSA-N -1 1 377.400 3.948 20 5 GHBDMM Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3F)CCCC2)n1 ZINC000590591261 855502794 /nfs/dbraw/zinc/50/27/94/855502794.db2.gz RMMVUKUVRLEFQG-UHFFFAOYSA-N -1 1 399.469 3.555 20 5 GHBDMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182085 856361395 /nfs/dbraw/zinc/36/13/95/856361395.db2.gz DGOOTGXYRJEJEE-UHFFFAOYSA-N -1 1 375.450 3.613 20 5 GHBDMM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485404341 856451967 /nfs/dbraw/zinc/45/19/67/856451967.db2.gz FZQNZUQMCVMMMF-UHFFFAOYSA-N -1 1 381.310 3.523 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000161578116 857563409 /nfs/dbraw/zinc/56/34/09/857563409.db2.gz FZFIONRFMQGJHG-UHFFFAOYSA-N -1 1 382.266 3.693 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000521154725 857674464 /nfs/dbraw/zinc/67/44/64/857674464.db2.gz FEDPQDBVOYWICP-UHFFFAOYSA-N -1 1 379.196 3.519 20 5 GHBDMM COc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(Cl)c1[O-] ZINC000443076475 858351730 /nfs/dbraw/zinc/35/17/30/858351730.db2.gz SHSVBTISZXUFOL-UHFFFAOYSA-N -1 1 376.796 3.767 20 5 GHBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000595279448 858459326 /nfs/dbraw/zinc/45/93/26/858459326.db2.gz OAJSNVKTBWVOBE-FMKPAKJESA-N -1 1 394.468 3.571 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1C ZINC000509378702 859232391 /nfs/dbraw/zinc/23/23/91/859232391.db2.gz LYIQCNJYZQYXGO-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000317396300 859509483 /nfs/dbraw/zinc/50/94/83/859509483.db2.gz NBJJNPUTDZEZOE-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734154502 864016088 /nfs/dbraw/zinc/01/60/88/864016088.db2.gz MAZMKVWKPJGPIB-SECBINFHSA-N -1 1 397.865 3.897 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000608886935 865817003 /nfs/dbraw/zinc/81/70/03/865817003.db2.gz LVLSBKRLDHZAJT-UHFFFAOYSA-N -1 1 386.882 3.710 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000739973329 865818281 /nfs/dbraw/zinc/81/82/81/865818281.db2.gz SLIDZIJXNPUXGO-UHFFFAOYSA-N -1 1 380.809 3.515 20 5 GHBDMM CC(C)Cc1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000857316971 882202232 /nfs/dbraw/zinc/20/22/32/882202232.db2.gz OTHWLJOYEHURKH-UHFFFAOYSA-N -1 1 385.243 3.660 20 5 GHBDMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000191799014 882620023 /nfs/dbraw/zinc/62/00/23/882620023.db2.gz FTLPJYWOHINAPP-UHFFFAOYSA-N -1 1 382.825 3.868 20 5 GHBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000769045639 873758479 /nfs/dbraw/zinc/75/84/79/873758479.db2.gz CJPOQYVYCQVKPX-SECBINFHSA-N -1 1 398.293 3.503 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000769630490 874176822 /nfs/dbraw/zinc/17/68/22/874176822.db2.gz JYHFWGXNUQGGRQ-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000921295882 882818051 /nfs/dbraw/zinc/81/80/51/882818051.db2.gz VQSNVDRGSPCDSL-UHFFFAOYSA-N -1 1 390.248 3.847 20 5 GHBDMM CC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(I)c1 ZINC001201224746 875587144 /nfs/dbraw/zinc/58/71/44/875587144.db2.gz SPIBGZKHISCDOA-UHFFFAOYSA-N -1 1 398.156 3.851 20 5 GHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1[N+](=O)[O-] ZINC000491682407 875887179 /nfs/dbraw/zinc/88/71/79/875887179.db2.gz YAQZBICQQWJJNT-UHFFFAOYSA-N -1 1 388.449 3.943 20 5 GHBDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cc2)o1 ZINC000180057049 878416109 /nfs/dbraw/zinc/41/61/09/878416109.db2.gz DFQJOKUVWBREMS-UHFFFAOYSA-N -1 1 391.380 3.807 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1F ZINC000790461672 879719182 /nfs/dbraw/zinc/71/91/82/879719182.db2.gz VMVRXBSTKUEXCE-UHFFFAOYSA-N -1 1 390.371 3.876 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)c1Cl ZINC000809390226 887365743 /nfs/dbraw/zinc/36/57/43/887365743.db2.gz JVTRZPPJGQKAMN-JTQLQIEISA-N -1 1 391.232 3.851 20 5 GHBDMM CCCCc1nnc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 ZINC000264016640 902773559 /nfs/dbraw/zinc/77/35/59/902773559.db2.gz QEJOTPUQODIWML-UHFFFAOYSA-N -1 1 382.467 3.772 20 5 GHBDMM Cc1cc(NC[C@H](c2ccccc2Cl)N(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578510978 903919763 /nfs/dbraw/zinc/91/97/63/903919763.db2.gz FYDLCPGNSQRWMV-QGZVFWFLSA-N -1 1 377.828 3.970 20 5 GHBDMM O=C([O-])CC[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901554119 921354029 /nfs/dbraw/zinc/35/40/29/921354029.db2.gz XLWWQNWEXOKNTN-ZDUSSCGKSA-N -1 1 375.450 3.795 20 5 GHBDMM O=C1CCCc2ccc(-c3noc(-c4n[n-]c(C(F)(F)F)c4[N+](=O)[O-])n3)cc21 ZINC001212972934 916164703 /nfs/dbraw/zinc/16/47/03/916164703.db2.gz MTQFGGMWRDTJRB-UHFFFAOYSA-N -1 1 393.281 3.573 20 5 GHBDMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000371922327 924991633 /nfs/dbraw/zinc/99/16/33/924991633.db2.gz CEECZHJHFSCQBN-UHFFFAOYSA-N -1 1 381.388 3.537 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000749298422 927042422 /nfs/dbraw/zinc/04/24/22/927042422.db2.gz CECOBEIZWNEBAJ-OAHLLOKOSA-N -1 1 398.893 3.557 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000467066156 928653130 /nfs/dbraw/zinc/65/31/30/928653130.db2.gz UEFOVKYSYPRGPY-NXEZZACHSA-N -1 1 386.417 3.612 20 5 GHBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000784217636 931820007 /nfs/dbraw/zinc/82/00/07/931820007.db2.gz SXNRNVRMIAUSNT-VIFPVBQESA-N -1 1 389.751 3.922 20 5 GHBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000777593721 932125906 /nfs/dbraw/zinc/12/59/06/932125906.db2.gz LOPCLZGSVWCCKI-UHFFFAOYSA-N -1 1 393.421 3.697 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c1C ZINC000798149556 932546399 /nfs/dbraw/zinc/54/63/99/932546399.db2.gz AEYVNWQQGGBLNS-UHFFFAOYSA-N -1 1 389.477 3.921 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000798247346 932576058 /nfs/dbraw/zinc/57/60/58/932576058.db2.gz UEOIHAWICWXGIS-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001591790947 975979512 /nfs/dbraw/zinc/97/95/12/975979512.db2.gz CVRYCEBQZDILCU-IBGZPJMESA-N -1 1 376.384 3.611 20 5 GHBDMM CCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(Cl)c1[O-] ZINC000545149637 1015587321 /nfs/dbraw/zinc/58/73/21/1015587321.db2.gz JXLYTWBAHNMAEN-UHFFFAOYSA-N -1 1 376.796 3.551 20 5 GHBDMM COc1ccc([C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1Cl ZINC001599532100 997673776 /nfs/dbraw/zinc/67/37/76/997673776.db2.gz NRHMPCOIYQNMAP-OAHLLOKOSA-N -1 1 385.203 3.826 20 5 GHBDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000755022388 1023026512 /nfs/dbraw/zinc/02/65/12/1023026512.db2.gz RDGIKCLIYDWAJI-WQLSENKSSA-N -1 1 381.340 3.554 20 5 GHBDMM COC(=O)[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)c1ccccc1 ZINC001229518290 1033535445 /nfs/dbraw/zinc/53/54/45/1033535445.db2.gz SPEQRLSWWZIANP-NRFANRHFSA-N -1 1 376.364 3.945 20 5 GHBDMM O=c1oc2cc([O-])ccc2c2cc(OC3CN(Cc4ccccc4)C3)c(O)cc12 ZINC001229804035 1033729706 /nfs/dbraw/zinc/72/97/06/1033729706.db2.gz VSFVBOJDHDRIMX-UHFFFAOYSA-N -1 1 389.407 3.621 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258750 1034488065 /nfs/dbraw/zinc/48/80/65/1034488065.db2.gz CESKDXNTAOJWDW-UHFFFAOYSA-N -1 1 393.440 3.562 20 5 GHBDMM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001207911070 1034652969 /nfs/dbraw/zinc/65/29/69/1034652969.db2.gz CPTJYZKLGXZIBF-NSHDSACASA-N -1 1 386.832 3.687 20 5 GHBDMM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC001208430745 1034893967 /nfs/dbraw/zinc/89/39/67/1034893967.db2.gz AYXMQSLVXZJXCG-SCZZXKLOSA-N -1 1 388.804 3.582 20 5 GHBDMM Cc1cn2c(n1)[C@H](Oc1cc([O-])cc3oc4c(O)cccc4c(=O)c13)CCC2 ZINC001234743055 1040269961 /nfs/dbraw/zinc/26/99/61/1040269961.db2.gz WUBBJGFESCBSGL-OAHLLOKOSA-N -1 1 378.384 3.776 20 5 GHBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H](C)Cc4ccco4)cc([O-])cc3oc21 ZINC001234750419 1040277289 /nfs/dbraw/zinc/27/72/89/1040277289.db2.gz APTKURSNESQLSI-NSHDSACASA-N -1 1 382.368 3.969 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CCC(F)(F)C4)cc3c(=O)c12 ZINC001234795991 1040326381 /nfs/dbraw/zinc/32/63/81/1040326381.db2.gz JNVGVDYWMQLDNW-JTQLQIEISA-N -1 1 378.327 3.933 20 5 GHBDMM COC(=O)c1ccc([C@H](C)Oc2c([O-])cc(Br)cc2[N+](=O)[O-])cc1 ZINC001234882277 1040395914 /nfs/dbraw/zinc/39/59/14/1040395914.db2.gz WBUDTNBPVJCHSU-VIFPVBQESA-N -1 1 396.193 3.990 20 5 GHBDMM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C2 ZINC001234882100 1040396301 /nfs/dbraw/zinc/39/63/01/1040396301.db2.gz VCGBNEILTOQCJK-GFCCVEGCSA-N -1 1 395.165 3.517 20 5 GHBDMM Cc1ccc(Sc2ccc(C(=O)Nc3ccncc3[O-])cc2[N+](=O)[O-])cc1 ZINC001306521674 1048713011 /nfs/dbraw/zinc/71/30/11/1048713011.db2.gz DXDDFIYRHBLMPH-UHFFFAOYSA-N -1 1 381.413 3.829 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)cc1F ZINC001309026757 1050283471 /nfs/dbraw/zinc/28/34/71/1050283471.db2.gz FYBWDRBYLTYLAW-UHFFFAOYSA-N -1 1 392.330 3.540 20 5 GHBDMM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC001309215793 1050482244 /nfs/dbraw/zinc/48/22/44/1050482244.db2.gz NYONSXDTRGMKSL-NSHDSACASA-N -1 1 386.832 3.778 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CC2CCC1CC2 ZINC001309638812 1050887160 /nfs/dbraw/zinc/88/71/60/1050887160.db2.gz BGTQJMQZQLPRRR-XKGSQUFQSA-N -1 1 390.864 3.880 20 5 GHBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H]1C ZINC001463622666 1064507254 /nfs/dbraw/zinc/50/72/54/1064507254.db2.gz HQHHXOLHYSQVEJ-GMTAPVOTSA-N -1 1 378.853 3.738 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1F ZINC001463633423 1064514329 /nfs/dbraw/zinc/51/43/29/1064514329.db2.gz PJRCBCXNDQSYOK-MQMHXKEQSA-N -1 1 398.843 3.920 20 5 GHBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])CCC2 ZINC001463791799 1064621372 /nfs/dbraw/zinc/62/13/72/1064621372.db2.gz SIRGGLJDTFORCZ-MRXNPFEDSA-N -1 1 378.425 3.707 20 5 GHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001475595843 1074923435 /nfs/dbraw/zinc/92/34/35/1074923435.db2.gz UQNSTZOFJQZRDR-GXSJLCMTSA-N -1 1 398.790 3.671 20 5 GHBDMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC001475760096 1075016045 /nfs/dbraw/zinc/01/60/45/1075016045.db2.gz YMCPQPRJNCYSIJ-SECBINFHSA-N -1 1 397.280 3.528 20 5 GHBDMM Cc1ccnc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1[N+](=O)[O-] ZINC000737437290 598854234 /nfs/dbraw/zinc/85/42/34/598854234.db2.gz NPHIQGWCBULQPC-UHFFFAOYSA-N -1 1 393.432 3.819 20 5 GHBDMM Cc1ccc(-c2cccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2)cc1 ZINC000822213873 606719670 /nfs/dbraw/zinc/71/96/70/606719670.db2.gz FAXJRINNGOOPHY-UHFFFAOYSA-N -1 1 387.403 3.757 20 5 GHBDMM Cc1ccc(-c2cccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2)cc1 ZINC000822213873 606719671 /nfs/dbraw/zinc/71/96/71/606719671.db2.gz FAXJRINNGOOPHY-UHFFFAOYSA-N -1 1 387.403 3.757 20 5 GHBDMM CC(C)c1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000610259698 836785576 /nfs/dbraw/zinc/78/55/76/836785576.db2.gz VJQSMCIRYHLVBM-KRWDZBQOSA-N -1 1 377.466 3.789 20 5 GHBDMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000728933053 844230901 /nfs/dbraw/zinc/23/09/01/844230901.db2.gz MGQCEOSMPNVXTF-LLVKDONJSA-N -1 1 384.454 3.885 20 5 GHBDMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129047189 844303084 /nfs/dbraw/zinc/30/30/84/844303084.db2.gz WFSJOWLQCBVPGC-UHFFFAOYSA-N -1 1 376.344 3.568 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] ZINC000055632263 861274348 /nfs/dbraw/zinc/27/43/48/861274348.db2.gz DMPAGNKUDLPALR-UHFFFAOYSA-N -1 1 399.428 3.678 20 5 GHBDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2C)n1 ZINC000150800646 843013504 /nfs/dbraw/zinc/01/35/04/843013504.db2.gz LFWJERRQMFGIFP-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000512736792 845275161 /nfs/dbraw/zinc/27/51/61/845275161.db2.gz XDZWQMBLGUSHCS-UHFFFAOYSA-N -1 1 393.852 3.572 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000731676799 861805802 /nfs/dbraw/zinc/80/58/02/861805802.db2.gz WBDZVCIKZDOQSB-UHFFFAOYSA-N -1 1 398.893 3.851 20 5 GHBDMM CCc1nc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]c(=O)c1C ZINC000514677206 850127491 /nfs/dbraw/zinc/12/74/91/850127491.db2.gz FFQUMHDNJNOITJ-JTQLQIEISA-N -1 1 387.421 3.865 20 5 GHBDMM COc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)c([N+](=O)[O-])cc1OC(F)F ZINC000436253331 851382675 /nfs/dbraw/zinc/38/26/75/851382675.db2.gz OSQDAFINYFBUTA-UHFFFAOYSA-N -1 1 399.375 3.870 20 5 GHBDMM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000115583542 851891524 /nfs/dbraw/zinc/89/15/24/851891524.db2.gz GFKCQSMWQVVKSQ-HNNXBMFYSA-N -1 1 383.857 3.627 20 5 GHBDMM CCc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000436915610 852494877 /nfs/dbraw/zinc/49/48/77/852494877.db2.gz PIOVLOQAMCRURZ-UHFFFAOYSA-N -1 1 387.783 3.554 20 5 GHBDMM CCc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000436915610 852494882 /nfs/dbraw/zinc/49/48/82/852494882.db2.gz PIOVLOQAMCRURZ-UHFFFAOYSA-N -1 1 387.783 3.554 20 5 GHBDMM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cc(O)cc([N+](=O)[O-])c1 ZINC000507086337 852551678 /nfs/dbraw/zinc/55/16/78/852551678.db2.gz NRYPTHLVKUSSHL-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000489763748 852592991 /nfs/dbraw/zinc/59/29/91/852592991.db2.gz DJTFIJDBXWHSCW-INIZCTEOSA-N -1 1 380.853 3.986 20 5 GHBDMM C[C@@H](OCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000517915321 852600638 /nfs/dbraw/zinc/60/06/38/852600638.db2.gz ZCWJRJKXMDPPRW-CYBMUJFWSA-N -1 1 398.868 3.694 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(Br)c1 ZINC000437662375 853393556 /nfs/dbraw/zinc/39/35/56/853393556.db2.gz RGLPPUGWXTZKDB-UHFFFAOYSA-N -1 1 397.659 3.873 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c2ncccc12 ZINC000184769312 855802682 /nfs/dbraw/zinc/80/26/82/855802682.db2.gz XDIKLHBXQPBNTF-UHFFFAOYSA-N -1 1 381.772 3.736 20 5 GHBDMM Cc1cccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000485395628 856457855 /nfs/dbraw/zinc/45/78/55/856457855.db2.gz GHGJTBAGKAYPCK-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000428017969 856999206 /nfs/dbraw/zinc/99/92/06/856999206.db2.gz QRWFLVYCIWSAID-UHFFFAOYSA-N -1 1 383.261 3.519 20 5 GHBDMM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000441868181 857265454 /nfs/dbraw/zinc/26/54/54/857265454.db2.gz NMQMYXLZTRSGRP-UHFFFAOYSA-N -1 1 398.868 3.513 20 5 GHBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184868390 857571209 /nfs/dbraw/zinc/57/12/09/857571209.db2.gz FNCLNNWCWSQQLX-UHFFFAOYSA-N -1 1 377.809 3.906 20 5 GHBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1coc(-c2ccccc2)n1 ZINC000151529348 857735850 /nfs/dbraw/zinc/73/58/50/857735850.db2.gz YWQJWMXIYLEFQN-UHFFFAOYSA-N -1 1 381.344 3.663 20 5 GHBDMM CCc1csc(CC2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000594585692 858230740 /nfs/dbraw/zinc/23/07/40/858230740.db2.gz XCYHBZLCWBINHF-UHFFFAOYSA-N -1 1 389.477 3.767 20 5 GHBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000594733682 858267689 /nfs/dbraw/zinc/26/76/89/858267689.db2.gz BMHLKHGBMHDBBT-BZSNNMDCSA-N -1 1 376.453 3.847 20 5 GHBDMM CC(C)Sc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594760880 858274961 /nfs/dbraw/zinc/27/49/61/858274961.db2.gz VKZSWCLKSFCENB-LBPRGKRZSA-N -1 1 381.479 3.530 20 5 GHBDMM O=C([O-])c1cnc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000592968824 858459443 /nfs/dbraw/zinc/45/94/43/858459443.db2.gz UEIGTJWXBCIFTE-INIZCTEOSA-N -1 1 390.827 3.590 20 5 GHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000160501804 858966647 /nfs/dbraw/zinc/96/66/47/858966647.db2.gz WYSMJJLFPYHWSL-UHFFFAOYSA-N -1 1 393.321 3.644 20 5 GHBDMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000466476563 859674773 /nfs/dbraw/zinc/67/47/73/859674773.db2.gz ZGBULAVVCHDDQO-UHFFFAOYSA-N -1 1 392.433 3.614 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000598734791 860534657 /nfs/dbraw/zinc/53/46/57/860534657.db2.gz OKSSDLWPIQRIKT-UHFFFAOYSA-N -1 1 389.477 3.736 20 5 GHBDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000603780901 861168064 /nfs/dbraw/zinc/16/80/64/861168064.db2.gz UNSNCKJPJSGQHX-UHFFFAOYSA-N -1 1 386.433 3.738 20 5 GHBDMM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173376439 864691219 /nfs/dbraw/zinc/69/12/19/864691219.db2.gz UWGIDJWNDNVLFR-AWEZNQCLSA-N -1 1 389.886 3.617 20 5 GHBDMM O=[N+]([O-])c1ccc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)[n-]1 ZINC000442678519 867769146 /nfs/dbraw/zinc/76/91/46/867769146.db2.gz NKLNHLXLSNDFBA-UHFFFAOYSA-N -1 1 375.182 3.815 20 5 GHBDMM COc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445400512 868381808 /nfs/dbraw/zinc/38/18/08/868381808.db2.gz FALGROAFMQLWCN-UHFFFAOYSA-N -1 1 392.165 3.789 20 5 GHBDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000462382476 869330893 /nfs/dbraw/zinc/33/08/93/869330893.db2.gz BDYZZVDFCPFKIV-UHFFFAOYSA-N -1 1 387.417 3.733 20 5 GHBDMM CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769047485 873760224 /nfs/dbraw/zinc/76/02/24/873760224.db2.gz JIOAWHDDTUTESB-UGSOOPFHSA-N -1 1 386.404 3.503 20 5 GHBDMM C[C@H]1C[C@H](C)N(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000465052996 875026478 /nfs/dbraw/zinc/02/64/78/875026478.db2.gz GRUNREVAJUYNFL-KBPBESRZSA-N -1 1 375.450 3.630 20 5 GHBDMM Cc1cc(C(F)(F)F)ccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000786133185 876500137 /nfs/dbraw/zinc/50/01/37/876500137.db2.gz VVYABTMMONEJRS-UHFFFAOYSA-N -1 1 392.330 3.540 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1 ZINC000451066728 877323496 /nfs/dbraw/zinc/32/34/96/877323496.db2.gz XITZPMZYMUFOSS-OAHLLOKOSA-N -1 1 376.434 3.516 20 5 GHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000451066727 877323846 /nfs/dbraw/zinc/32/38/46/877323846.db2.gz XITZPMZYMUFOSS-HNNXBMFYSA-N -1 1 376.434 3.516 20 5 GHBDMM CCOc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1[N+](=O)[O-] ZINC000461114008 879193164 /nfs/dbraw/zinc/19/31/64/879193164.db2.gz YNMLRGWJYCPIKC-UHFFFAOYSA-N -1 1 382.294 3.866 20 5 GHBDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)co1 ZINC000617198825 879503053 /nfs/dbraw/zinc/50/30/53/879503053.db2.gz OOZJHKKOUSXOOC-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Cl)cc1Cl ZINC000791432589 880401371 /nfs/dbraw/zinc/40/13/71/880401371.db2.gz RTISWLHQGYRDDE-UHFFFAOYSA-N -1 1 383.159 3.981 20 5 GHBDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551113678 883302256 /nfs/dbraw/zinc/30/22/56/883302256.db2.gz GBCPERMTCIRVKS-UHFFFAOYSA-N -1 1 378.450 3.840 20 5 GHBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000761887600 884922950 /nfs/dbraw/zinc/92/29/50/884922950.db2.gz QEEXDXSZJHIZDK-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cccs1 ZINC000795846282 912904950 /nfs/dbraw/zinc/90/49/50/912904950.db2.gz SMFFREDCJYHDQY-UHFFFAOYSA-N -1 1 378.834 3.662 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc([N+](=O)[O-])c1F ZINC000154250345 890760974 /nfs/dbraw/zinc/76/09/74/890760974.db2.gz JQHHYLNSKYXQGV-UHFFFAOYSA-N -1 1 394.302 3.584 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC001185264072 913766719 /nfs/dbraw/zinc/76/67/19/913766719.db2.gz NLJICDMGBFMRQW-UHFFFAOYSA-N -1 1 390.848 3.922 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001137004257 900028184 /nfs/dbraw/zinc/02/81/84/900028184.db2.gz SZEWTRXTPSVTOE-MRXNPFEDSA-N -1 1 375.400 3.564 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC001186278703 914418857 /nfs/dbraw/zinc/41/88/57/914418857.db2.gz PSABMRONDGKMBU-CQSZACIVSA-N -1 1 399.428 3.822 20 5 GHBDMM CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071546 921587843 /nfs/dbraw/zinc/58/78/43/921587843.db2.gz IOLWUNGJESSCFE-GFCCVEGCSA-N -1 1 386.404 3.609 20 5 GHBDMM CC(C)Oc1ccc(Br)cc1-c1noc(-c2[nH]cnc2[N+](=O)[O-])n1 ZINC001212893309 911373796 /nfs/dbraw/zinc/37/37/96/911373796.db2.gz XEGNNAAFCHQJQT-UHFFFAOYSA-N -1 1 394.185 3.585 20 5 GHBDMM CC(C)Oc1ccc(Br)cc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893309 911373812 /nfs/dbraw/zinc/37/38/12/911373812.db2.gz XEGNNAAFCHQJQT-UHFFFAOYSA-N -1 1 394.185 3.585 20 5 GHBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1-c1cccs1 ZINC000775157041 915684999 /nfs/dbraw/zinc/68/49/99/915684999.db2.gz IRQCFTANNAAALF-UHFFFAOYSA-N -1 1 396.425 3.549 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc(Cl)c3F)no2)n[n-]c1C(F)(F)F ZINC001212972734 916162831 /nfs/dbraw/zinc/16/28/31/916162831.db2.gz HPCUHBZYUGHZMT-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC001188818204 916226568 /nfs/dbraw/zinc/22/65/68/916226568.db2.gz ZAUMESROEUZFNX-SNVBAGLBSA-N -1 1 386.832 3.989 20 5 GHBDMM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725825965 926460717 /nfs/dbraw/zinc/46/07/17/926460717.db2.gz VOPLJSBWOWCAPT-UHFFFAOYSA-N -1 1 384.841 3.514 20 5 GHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1[N+](=O)[O-] ZINC000467408164 929042487 /nfs/dbraw/zinc/04/24/87/929042487.db2.gz PTPOAYCRPPPQFK-UHFFFAOYSA-N -1 1 386.433 3.848 20 5 GHBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000469891417 930238722 /nfs/dbraw/zinc/23/87/22/930238722.db2.gz GDJPSUYBXSSCEE-UHFFFAOYSA-N -1 1 376.344 3.952 20 5 GHBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000759076372 930266313 /nfs/dbraw/zinc/26/63/13/930266313.db2.gz PUPZEBWNDJSILI-UHFFFAOYSA-N -1 1 394.211 3.732 20 5 GHBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000759147198 930289597 /nfs/dbraw/zinc/28/95/97/930289597.db2.gz ILADEJPYXPUWNH-UHFFFAOYSA-N -1 1 392.824 3.748 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000782263263 931146095 /nfs/dbraw/zinc/14/60/95/931146095.db2.gz XDUDJIOACRBVBU-UHFFFAOYSA-N -1 1 392.433 3.633 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)c1 ZINC000782518442 931253292 /nfs/dbraw/zinc/25/32/92/931253292.db2.gz XSFVXIOXVFGBRN-VIFPVBQESA-N -1 1 388.795 3.812 20 5 GHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1OC(F)F ZINC000777932132 934210792 /nfs/dbraw/zinc/21/07/92/934210792.db2.gz DWLRRFRPEPIPDG-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM Cc1nc(Br)sc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC001124680518 935444004 /nfs/dbraw/zinc/44/40/04/935444004.db2.gz ADSKVRSXXBBSHX-UHFFFAOYSA-N -1 1 378.154 3.653 20 5 GHBDMM C[C@@H]1Cc2ccccc2N1C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594624576 986685876 /nfs/dbraw/zinc/68/58/76/986685876.db2.gz YQHYZEFICJRCSV-OAHLLOKOSA-N -1 1 395.459 3.709 20 5 GHBDMM Cc1c(Br)cc(C(=O)Nc2ccc([O-])c(F)c2F)cc1[N+](=O)[O-] ZINC001140657792 1022190714 /nfs/dbraw/zinc/19/07/14/1022190714.db2.gz XTFABDLAUHHUHU-UHFFFAOYSA-N -1 1 387.136 3.902 20 5 GHBDMM O=[N+]([O-])c1ccc(N2CCC(Oc3[n-]c(=S)nc4ccccc43)CC2)cc1 ZINC001228766917 1033085424 /nfs/dbraw/zinc/08/54/24/1033085424.db2.gz WZKKTMYZYBRGAR-UHFFFAOYSA-N -1 1 382.445 3.875 20 5 GHBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCc2c1nccc2Cl ZINC001228862829 1033144878 /nfs/dbraw/zinc/14/48/78/1033144878.db2.gz PFKRAPALVFRKEO-SECBINFHSA-N -1 1 375.690 3.829 20 5 GHBDMM COC(=O)c1sc([N-]c2c(F)ccc([N+](=O)[O-])c2F)c(C(=O)OC)c1C ZINC001215287419 1029132326 /nfs/dbraw/zinc/13/23/26/1029132326.db2.gz NXQFKEWQFGSJDU-UHFFFAOYSA-N -1 1 386.332 3.560 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC)c1cccc(F)c1C ZINC001226309797 1031911338 /nfs/dbraw/zinc/91/13/38/1031911338.db2.gz JEKREUAPHPSMOP-CQSZACIVSA-N -1 1 378.356 3.850 20 5 GHBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](c1ccc(OC)cc1)C(C)C ZINC001226311704 1031911612 /nfs/dbraw/zinc/91/16/12/1031911612.db2.gz ZUQJCJCKGWPXTE-INIZCTEOSA-N -1 1 390.392 3.657 20 5 GHBDMM CCCCC(=O)[C@H](CCCC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226310689 1031911689 /nfs/dbraw/zinc/91/16/89/1031911689.db2.gz QADVSWHEEPOMDO-AWEZNQCLSA-N -1 1 382.413 3.569 20 5 GHBDMM Cc1nc(O[C@@H]2CCCc3ccc(Br)cc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377340 1033445951 /nfs/dbraw/zinc/44/59/51/1033445951.db2.gz BLYHYISWWDTWID-GFCCVEGCSA-N -1 1 380.198 3.618 20 5 GHBDMM CC(C)(C)OC(=O)N1CCC2(CC(Oc3cc([N+](=O)[O-])ccc3[O-])C2)CC1 ZINC001229397497 1033456761 /nfs/dbraw/zinc/45/67/61/1033456761.db2.gz JGGKOVWYDJPQOW-UHFFFAOYSA-N -1 1 378.425 3.859 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC001229749760 1033684706 /nfs/dbraw/zinc/68/47/06/1033684706.db2.gz HDAXUKXRNWPDLS-ZDUSSCGKSA-N -1 1 378.425 3.777 20 5 GHBDMM Cc1cc([O-])c(OC(C)(C)[C@@H]2Cc3c(ccc4ccc(=O)oc34)O2)cc1[N+](=O)[O-] ZINC001229750688 1033685949 /nfs/dbraw/zinc/68/59/49/1033685949.db2.gz QISRCVJXVXUTEA-SFHVURJKSA-N -1 1 397.383 3.876 20 5 GHBDMM Cc1cc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2F)cc1[N+](=O)[O-] ZINC001229751534 1033685988 /nfs/dbraw/zinc/68/59/88/1033685988.db2.gz VSPMCZYMOWLSDT-IUODEOHRSA-N -1 1 384.404 3.725 20 5 GHBDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC001229751895 1033687781 /nfs/dbraw/zinc/68/77/81/1033687781.db2.gz YXKIVPMDDAJVIH-LLVKDONJSA-N -1 1 388.367 3.632 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC001231258589 1034487729 /nfs/dbraw/zinc/48/77/29/1034487729.db2.gz ACBNLCQVWYXGDG-UHFFFAOYSA-N -1 1 393.440 3.562 20 5 GHBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3CCc4ccccc4C3)c12 ZINC001234123622 1039864886 /nfs/dbraw/zinc/86/48/86/1039864886.db2.gz FAKFNSBWQFZJBL-OAHLLOKOSA-N -1 1 390.391 3.999 20 5 GHBDMM O=c1c2ccc(O)c(O[C@@H]3COCc4ccccc43)c2oc2cc([O-])cc(O)c12 ZINC001234751634 1040280484 /nfs/dbraw/zinc/28/04/84/1040280484.db2.gz ZQSCAGIGAFMOFE-GOSISDBHSA-N -1 1 392.363 3.713 20 5 GHBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H](C)c4nccs4)cc3c(=O)c12 ZINC001234796688 1040327657 /nfs/dbraw/zinc/32/76/57/1040327657.db2.gz PCSUQYSZZUIRJM-SECBINFHSA-N -1 1 385.397 3.963 20 5 GHBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001234878241 1040393402 /nfs/dbraw/zinc/39/34/02/1040393402.db2.gz UJMSBRBFRDQDGX-ABAIWWIYSA-N -1 1 388.214 3.518 20 5 GHBDMM CC([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1 ZINC001463058879 1070762638 /nfs/dbraw/zinc/76/26/38/1070762638.db2.gz IMXLNVNDVAGPOY-UHFFFAOYSA-N -1 1 388.470 3.898 20 5 GHBDMM CCCOc1cc([N-]C(=O)c2ocnc2CC)c([N+](=O)[O-])cc1OCCC ZINC001264283136 1047295346 /nfs/dbraw/zinc/29/53/46/1047295346.db2.gz UKYDAIJJPHRVJH-UHFFFAOYSA-N -1 1 377.397 3.975 20 5 GHBDMM CCO[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC001463233315 1070928664 /nfs/dbraw/zinc/92/86/64/1070928664.db2.gz BTYKFRFUINWNRF-GFCCVEGCSA-N -1 1 399.296 3.631 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)cc1F ZINC001309418161 1050702905 /nfs/dbraw/zinc/70/29/05/1050702905.db2.gz MAERVBNOKNFWND-CVEARBPZSA-N -1 1 392.452 3.732 20 5 GHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001309921346 1051045385 /nfs/dbraw/zinc/04/53/85/1051045385.db2.gz KWTBYWZOAIDJRA-MRVPVSSYSA-N -1 1 376.768 3.566 20 5 GHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001441192418 1058721123 /nfs/dbraw/zinc/72/11/23/1058721123.db2.gz OOZLNBCMIMAKHP-UHFFFAOYSA-N -1 1 376.731 3.735 20 5 GHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC001463818476 1064645249 /nfs/dbraw/zinc/64/52/49/1064645249.db2.gz QDANREBWYOUWGQ-HNNXBMFYSA-N -1 1 387.442 3.606 20 5 GHBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(OCc2ccccc2)cc1 ZINC000823630246 607161862 /nfs/dbraw/zinc/16/18/62/607161862.db2.gz UDSNYMOYBCMCMU-UHFFFAOYSA-N -1 1 390.359 3.541 20 5 GHBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(OCc2ccccc2)cc1 ZINC000823630246 607161865 /nfs/dbraw/zinc/16/18/65/607161865.db2.gz UDSNYMOYBCMCMU-UHFFFAOYSA-N -1 1 390.359 3.541 20 5 GHBDMM Cc1cc(NC[C@@H](C)N2CCc3sccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581946155 837751964 /nfs/dbraw/zinc/75/19/64/837751964.db2.gz BGPRKVUVQQNFFL-GFCCVEGCSA-N -1 1 375.450 3.522 20 5 GHBDMM O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000612610816 836493389 /nfs/dbraw/zinc/49/33/89/836493389.db2.gz XPFXBFIABRBSMB-UHFFFAOYSA-N -1 1 387.367 3.566 20 5 GHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Br)c(O)c1 ZINC000181311853 837937649 /nfs/dbraw/zinc/93/76/49/837937649.db2.gz ONXLSKYVDQSRIA-UHFFFAOYSA-N -1 1 387.573 3.674 20 5 GHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000730768447 861266057 /nfs/dbraw/zinc/26/60/57/861266057.db2.gz PUMCRRBWNMCTBH-UHFFFAOYSA-N -1 1 395.868 3.958 20 5 GHBDMM Cc1sc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cc1[N+](=O)[O-] ZINC000432968390 844766863 /nfs/dbraw/zinc/76/68/63/844766863.db2.gz YBWDWWBAKCAAPO-GFCCVEGCSA-N -1 1 398.359 3.528 20 5 GHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(N2CCCC2)c(F)c1 ZINC000731782608 861887370 /nfs/dbraw/zinc/88/73/70/861887370.db2.gz BUCJKVLDQBWWSM-UHFFFAOYSA-N -1 1 397.403 3.582 20 5 GHBDMM Cc1c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000135674901 848336337 /nfs/dbraw/zinc/33/63/37/848336337.db2.gz GMSRAPRRHBPZHP-UHFFFAOYSA-N -1 1 392.767 3.959 20 5 GHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1[N+](=O)[O-] ZINC000488218614 851275569 /nfs/dbraw/zinc/27/55/69/851275569.db2.gz QFCGHENTLWRKNR-UHFFFAOYSA-N -1 1 386.426 3.574 20 5 GHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000425956695 852113798 /nfs/dbraw/zinc/11/37/98/852113798.db2.gz XZTRECGFROMADY-UHFFFAOYSA-N -1 1 392.433 3.633 20 5 GHBDMM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1csc(-c2cccs2)n1 ZINC000426807396 852418750 /nfs/dbraw/zinc/41/87/50/852418750.db2.gz HLNRRJRLLVWFOO-ZDUSSCGKSA-N -1 1 389.458 3.565 20 5 GHBDMM O=C(Nc1ccc(Br)cc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000057180884 855263011 /nfs/dbraw/zinc/26/30/11/855263011.db2.gz BKYFEXNSXVNBPF-UHFFFAOYSA-N -1 1 376.166 3.797 20 5 GHBDMM O=C(COc1cccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1)NC1CC1 ZINC000590124387 855288825 /nfs/dbraw/zinc/28/88/25/855288825.db2.gz MOBVCMKBRKITSC-UHFFFAOYSA-N -1 1 385.423 3.813 20 5 GHBDMM CC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000591590294 856169675 /nfs/dbraw/zinc/16/96/75/856169675.db2.gz QMPRLQAAMVJFLT-LBPRGKRZSA-N -1 1 391.449 3.689 20 5 GHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000509208404 862831280 /nfs/dbraw/zinc/83/12/80/862831280.db2.gz FFLPSZMKWYMMPE-UHFFFAOYSA-N -1 1 390.339 3.731 20 5 GHBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000173493970 856957468 /nfs/dbraw/zinc/95/74/68/856957468.db2.gz CNZVRDNRMKGNNI-UHFFFAOYSA-N -1 1 387.845 3.618 20 5 GHBDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)n1 ZINC000161084323 859568380 /nfs/dbraw/zinc/56/83/80/859568380.db2.gz JVBCQVACTWHGTH-UHFFFAOYSA-N -1 1 387.417 3.976 20 5 GHBDMM O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484524357 860075941 /nfs/dbraw/zinc/07/59/41/860075941.db2.gz BMZTXFNNCGMFFI-LJQANCHMSA-N -1 1 389.367 3.961 20 5 GHBDMM C[C@@H]1CCCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000603475159 860735330 /nfs/dbraw/zinc/73/53/30/860735330.db2.gz HBHDHVJZKBGKSN-CQSZACIVSA-N -1 1 375.450 3.774 20 5 GHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c2ncccc12 ZINC000184846217 864983268 /nfs/dbraw/zinc/98/32/68/864983268.db2.gz LBBWYOIFYZIGNG-UHFFFAOYSA-N -1 1 381.772 3.736 20 5 GHBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000444391824 866056226 /nfs/dbraw/zinc/05/62/26/866056226.db2.gz MAJUWYIYVYQBFH-UHFFFAOYSA-N -1 1 383.404 3.615 20 5 GHBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130045899 866333181 /nfs/dbraw/zinc/33/31/81/866333181.db2.gz CBDITLSRUOEBGO-UHFFFAOYSA-N -1 1 377.385 3.914 20 5 GHBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F ZINC000523122514 866672262 /nfs/dbraw/zinc/67/22/62/866672262.db2.gz FRUXQDXYKCJJSA-UHFFFAOYSA-N -1 1 390.339 3.645 20 5 GHBDMM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444763113 867192812 /nfs/dbraw/zinc/19/28/12/867192812.db2.gz ULTLRUXXGLIZEF-LLVKDONJSA-N -1 1 393.680 3.521 20 5 GHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCCC1CC1 ZINC000524236822 868784868 /nfs/dbraw/zinc/78/48/68/868784868.db2.gz AIUJVWNTOXTNLO-UHFFFAOYSA-N -1 1 375.450 3.998 20 5 GHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000609076408 868799405 /nfs/dbraw/zinc/79/94/05/868799405.db2.gz VWJISKJAMSVMAU-LBPRGKRZSA-N -1 1 382.869 3.893 20 5 GHBDMM COCc1nc(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])co1 ZINC000527086525 872585997 /nfs/dbraw/zinc/58/59/97/872585997.db2.gz WCKHPWCKKOJMPV-UHFFFAOYSA-N -1 1 383.360 3.561 20 5 GHBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000769673360 874226116 /nfs/dbraw/zinc/22/61/16/874226116.db2.gz PANFDMXIZNFRTK-HJWRWDBZSA-N -1 1 382.825 3.807 20 5 GHBDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491587443 875846425 /nfs/dbraw/zinc/84/64/25/875846425.db2.gz YAHCSRHCDZZQPT-UHFFFAOYSA-N -1 1 391.449 3.669 20 5 GHBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549932991 875935734 /nfs/dbraw/zinc/93/57/34/875935734.db2.gz ZTRPVHUFBMDKSI-UHFFFAOYSA-N -1 1 395.322 3.779 20 5 GHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000030530349 876204505 /nfs/dbraw/zinc/20/45/05/876204505.db2.gz ORGCCFZHXVHPJJ-UHFFFAOYSA-N -1 1 386.433 3.507 20 5 GHBDMM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000443987446 877400461 /nfs/dbraw/zinc/40/04/61/877400461.db2.gz HAYOMGDQGWJXIJ-ZDUSSCGKSA-N -1 1 388.367 3.875 20 5 GHBDMM COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000609380419 883123381 /nfs/dbraw/zinc/12/33/81/883123381.db2.gz LITFOZLKJARWCF-UHFFFAOYSA-N -1 1 381.344 3.754 20 5 GHBDMM Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] ZINC000915187220 885962498 /nfs/dbraw/zinc/96/24/98/885962498.db2.gz TWZVFUOFFAPCQM-UHFFFAOYSA-N -1 1 381.413 3.549 20 5 GHBDMM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762291725 885965756 /nfs/dbraw/zinc/96/57/56/885965756.db2.gz OEJUSOZOOXIYID-UHFFFAOYSA-N -1 1 390.889 3.510 20 5 GHBDMM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193700873 887262568 /nfs/dbraw/zinc/26/25/68/887262568.db2.gz JWHYFWLBHDSORD-GFCCVEGCSA-N -1 1 398.444 3.961 20 5 GHBDMM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193796741 887571102 /nfs/dbraw/zinc/57/11/02/887571102.db2.gz AAIGXDANKTWUKF-CQSZACIVSA-N -1 1 381.310 3.595 20 5 GHBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2coc3ccccc23)cc1Cl ZINC000809817361 887824791 /nfs/dbraw/zinc/82/47/91/887824791.db2.gz XZILENQKSWLNSC-UHFFFAOYSA-N -1 1 384.772 3.612 20 5 GHBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120573007 888373638 /nfs/dbraw/zinc/37/36/38/888373638.db2.gz PJVGXVATDAKHSN-UHFFFAOYSA-N -1 1 385.239 3.775 20 5 GHBDMM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001212088285 891964274 /nfs/dbraw/zinc/96/42/74/891964274.db2.gz LFTNYLOOFXXCLN-MRVPVSSYSA-N -1 1 397.266 3.599 20 5 GHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000569394001 898611581 /nfs/dbraw/zinc/61/15/81/898611581.db2.gz AZVBCHYIBIMJDY-UHFFFAOYSA-N -1 1 378.450 3.883 20 5 GHBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC001144629715 902535187 /nfs/dbraw/zinc/53/51/87/902535187.db2.gz AZERDQRQAQCERM-LJQANCHMSA-N -1 1 392.415 3.651 20 5 GHBDMM CC(C)N(Cc1ccc(Br)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600839058 902986913 /nfs/dbraw/zinc/98/69/13/902986913.db2.gz GKAVZRWPSOHWJW-UHFFFAOYSA-N -1 1 394.225 3.509 20 5 GHBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191839959 907273481 /nfs/dbraw/zinc/27/34/81/907273481.db2.gz PWAXIMOGYVNQJS-UHFFFAOYSA-N -1 1 381.373 3.815 20 5 GHBDMM Cc1nc(C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)sc1C(=O)[O-] ZINC000901799677 921579643 /nfs/dbraw/zinc/57/96/43/921579643.db2.gz UBHPDCQJYPKPPD-XQRVVYSFSA-N -1 1 387.461 3.951 20 5 GHBDMM O=[N+]([O-])c1c(-c2nc(-c3cc(F)ccc3Cl)no2)n[n-]c1C(F)(F)F ZINC001212973394 916168964 /nfs/dbraw/zinc/16/89/64/916168964.db2.gz ZRLDOWDYPLXOTO-UHFFFAOYSA-N -1 1 377.641 3.846 20 5 GHBDMM CCc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000370001973 923796436 /nfs/dbraw/zinc/79/64/36/923796436.db2.gz LMJYQQNMABPPNU-UHFFFAOYSA-N -1 1 382.416 3.598 20 5 GHBDMM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000752050378 928570778 /nfs/dbraw/zinc/57/07/78/928570778.db2.gz JZMRBNUHUDJLHD-GFCCVEGCSA-N -1 1 384.454 3.583 20 5 GHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)ccc1F ZINC000757920450 929854921 /nfs/dbraw/zinc/85/49/21/929854921.db2.gz IBBKIKXIAZYXJF-UHFFFAOYSA-N -1 1 389.202 3.606 20 5 GHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000558830444 932260497 /nfs/dbraw/zinc/26/04/97/932260497.db2.gz MEARCOKOKOMKHS-UHFFFAOYSA-N -1 1 381.182 3.714 20 5 GHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000560026715 933023610 /nfs/dbraw/zinc/02/36/10/933023610.db2.gz RHPZHJROSHJXTN-UHFFFAOYSA-N -1 1 390.339 3.753 20 5 GHBDMM CC(C)SCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000561408236 934134269 /nfs/dbraw/zinc/13/42/69/934134269.db2.gz LWUARZWIOLQEGZ-UHFFFAOYSA-N -1 1 395.506 3.949 20 5 GHBDMM CCN(Cc1ccc(Cl)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596359377 983834270 /nfs/dbraw/zinc/83/42/70/983834270.db2.gz GJMIWJAHYXXXOS-UHFFFAOYSA-N -1 1 378.812 3.734 20 5 GHBDMM CC(C)(NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001590872644 990781108 /nfs/dbraw/zinc/78/11/08/990781108.db2.gz LEERRJUFZLBTEU-UHFFFAOYSA-N -1 1 378.812 3.737 20 5 GHBDMM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001593298510 994715237 /nfs/dbraw/zinc/71/52/37/994715237.db2.gz KBGXYYYZUKUTIF-NSHDSACASA-N -1 1 398.337 3.928 20 5 GHBDMM CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599064719 999290958 /nfs/dbraw/zinc/29/09/58/999290958.db2.gz ZUVLZFNKYJIQSW-DIFFPNOSSA-N -1 1 378.812 3.812 20 5 GHBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H](C)c3ncccn3)c([N+](=O)[O-])c2)cc1 ZINC001227699687 1032521623 /nfs/dbraw/zinc/52/16/23/1032521623.db2.gz ITCBETDXJUJUKT-ZDUSSCGKSA-N -1 1 379.372 3.770 20 5 GHBDMM CC(C)Oc1cc(COc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])c(F)cn1 ZINC001228859570 1033143133 /nfs/dbraw/zinc/14/31/33/1033143133.db2.gz KZOWFHVRAYNMFB-UHFFFAOYSA-N -1 1 391.277 3.615 20 5 GHBDMM O=[N+]([O-])c1ccc([C@H]2CCCN(Cn3[n-]c(-c4ccccn4)nc3=S)C2)cc1 ZINC000840126633 1027253162 /nfs/dbraw/zinc/25/31/62/1027253162.db2.gz PZDFANWNOVODCL-HNNXBMFYSA-N -1 1 396.476 3.748 20 5 GHBDMM O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC001142284845 1028578634 /nfs/dbraw/zinc/57/86/34/1028578634.db2.gz KWYSBRGXIYKSGB-ZDUSSCGKSA-N -1 1 376.237 3.612 20 5 GHBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C(=O)OCc2ccccc2)c2ccccc2)n1 ZINC001231261034 1034489482 /nfs/dbraw/zinc/48/94/82/1034489482.db2.gz XOAQHARGLCWGLK-LJQANCHMSA-N -1 1 394.383 3.867 20 5 GHBDMM COC(=O)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1ccccc1F ZINC001233497896 1039390841 /nfs/dbraw/zinc/39/08/41/1039390841.db2.gz JDCZRAJZWHSEJW-AWEZNQCLSA-N -1 1 379.731 3.557 20 5 GHBDMM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ccccc1F ZINC001233497896 1039390854 /nfs/dbraw/zinc/39/08/54/1039390854.db2.gz JDCZRAJZWHSEJW-AWEZNQCLSA-N -1 1 379.731 3.557 20 5 GHBDMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497217 1039391964 /nfs/dbraw/zinc/39/19/64/1039391964.db2.gz GBPITQJELYAJAZ-AOOOYVTPSA-N -1 1 396.831 3.901 20 5 GHBDMM C[C@@H]1C[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233497848 1039392223 /nfs/dbraw/zinc/39/22/23/1039392223.db2.gz IOGVDQCPLNASAV-ZJUUUORDSA-N -1 1 396.831 3.901 20 5 GHBDMM C[C@H]1[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CN1C(=O)OC(C)(C)C ZINC001233507665 1039397879 /nfs/dbraw/zinc/39/78/79/1039397879.db2.gz ZVPZSMAENTVWLA-ISVAXAHUSA-N -1 1 382.804 3.511 20 5 GHBDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742166 1040267729 /nfs/dbraw/zinc/26/77/29/1040267729.db2.gz NAMUMDVFAKRKSG-TZMCWYRMSA-N -1 1 398.411 3.858 20 5 GHBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(OC[C@H]3COc4ccccc4O3)c12 ZINC001234744032 1040269912 /nfs/dbraw/zinc/26/99/12/1040269912.db2.gz JBDKPPHTCFVHQT-CQSZACIVSA-N -1 1 392.363 3.576 20 5 GHBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3COc4cscc4O3)c12 ZINC001234743016 1040270603 /nfs/dbraw/zinc/27/06/03/1040270603.db2.gz VYFHHLAANYFEFM-NSHDSACASA-N -1 1 398.392 3.638 20 5 GHBDMM COC(=O)C[C@H]1CCC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234747281 1040271838 /nfs/dbraw/zinc/27/18/38/1040271838.db2.gz KFOCMNWMGKFXRX-SWLSCSKDSA-N -1 1 398.411 3.858 20 5 GHBDMM CCCC(=O)[C@@H](CCC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750286 1040277184 /nfs/dbraw/zinc/27/71/84/1040277184.db2.gz JMGPMPAPMIRTMX-MRXNPFEDSA-N -1 1 386.400 3.980 20 5 GHBDMM CO[C@@H](COc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ccccc1 ZINC001234749944 1040277809 /nfs/dbraw/zinc/27/78/09/1040277809.db2.gz GSDAZIIEHBJUNU-SFHVURJKSA-N -1 1 394.379 3.830 20 5 GHBDMM C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309348907 1050621785 /nfs/dbraw/zinc/62/17/85/1050621785.db2.gz URFXKCXQQDSDEQ-DYZYQPBXSA-N -1 1 398.843 3.989 20 5 GHBDMM Cc1scc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1C ZINC001309751787 1050954294 /nfs/dbraw/zinc/95/42/94/1050954294.db2.gz WYMDRXMHDKGJOC-UHFFFAOYSA-N -1 1 378.834 3.544 20 5 GHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)s2)cc1F ZINC001309817027 1050987632 /nfs/dbraw/zinc/98/76/32/1050987632.db2.gz KIORJJJGLDSWRL-UHFFFAOYSA-N -1 1 398.359 3.601 20 5 GHBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(Br)c([O-])c1 ZINC001344477278 1054507126 /nfs/dbraw/zinc/50/71/26/1054507126.db2.gz VWSZFKNKNPGEOR-UHFFFAOYSA-N -1 1 390.193 3.656 20 5 GHBDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2cccnc12 ZINC001321239684 1056178605 /nfs/dbraw/zinc/17/86/05/1056178605.db2.gz NMCYEMGYPUWQEF-UHFFFAOYSA-N -1 1 383.838 3.967 20 5 GHBDMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(C)o1 ZINC001326239301 1057440095 /nfs/dbraw/zinc/44/00/95/1057440095.db2.gz HCEUFDUJQKDYQU-MRVPVSSYSA-N -1 1 376.793 3.637 20 5 GHBDMM Cc1ccc(Oc2ccccc2CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001457856813 1063402762 /nfs/dbraw/zinc/40/27/62/1063402762.db2.gz FHZUIALXFDDBFZ-UHFFFAOYSA-N -1 1 393.399 3.769 20 5 GHBDMM CC[C@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001467103496 1067070679 /nfs/dbraw/zinc/07/06/79/1067070679.db2.gz YUCGTRRLFVMDPO-KRWDZBQOSA-N -1 1 381.392 3.759 20 5 GHBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC001472531221 1073533381 /nfs/dbraw/zinc/53/33/81/1073533381.db2.gz LKXMBVVAGWDMQY-NXEZZACHSA-N -1 1 383.326 3.636 20 5 GHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C2CCC2)cc1 ZINC001475197164 1074780787 /nfs/dbraw/zinc/78/07/87/1074780787.db2.gz VWRGXLZTDJXYEL-UHFFFAOYSA-N -1 1 380.853 3.994 20 5 GHBDMM O=[N+]([O-])c1cnc(SCc2c(Cl)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738373381 598501340 /nfs/dbraw/zinc/50/13/40/598501340.db2.gz BLLPPGRVFDKZAU-UHFFFAOYSA-N -1 1 383.220 3.769 20 5 GHBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000824649864 607448157 /nfs/dbraw/zinc/44/81/57/607448157.db2.gz NVYNULBLMXAFAU-VIFPVBQESA-N -1 1 378.314 3.967 20 5 GHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000824657659 607449616 /nfs/dbraw/zinc/44/96/16/607449616.db2.gz RYJBNDFGMBBIER-SECBINFHSA-N -1 1 376.323 3.549 20 5 GHBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824657659 607449617 /nfs/dbraw/zinc/44/96/17/607449617.db2.gz RYJBNDFGMBBIER-SECBINFHSA-N -1 1 376.323 3.549 20 5 GHBDMM CC(C)(C)c1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)s1 ZINC000824131221 607930041 /nfs/dbraw/zinc/93/00/41/607930041.db2.gz XSHLLGJEAUSQQD-RMKNXTFCSA-N -1 1 398.448 3.786 20 5 GHBDMM CC(C)(C)c1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)s1 ZINC000824131221 607930042 /nfs/dbraw/zinc/93/00/42/607930042.db2.gz XSHLLGJEAUSQQD-RMKNXTFCSA-N -1 1 398.448 3.786 20 5 GHBDMM