smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])cc2)cc1 ZINC000009613208 555448281 /nfs/dbraw/zinc/44/82/81/555448281.db2.gz HNXUKRDNCIEEIQ-UHFFFAOYSA-N -1 1 487.465 3.639 50 5 JHBAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000009631116 555459518 /nfs/dbraw/zinc/45/95/18/555459518.db2.gz OAHRLVHOGAQILT-UHFFFAOYSA-N -1 1 469.475 3.616 50 5 JHBAMM O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013552774 555492944 /nfs/dbraw/zinc/49/29/44/555492944.db2.gz SWDHZKXTZGDMIV-OPYAIIAOSA-N -1 1 475.379 3.959 50 5 JHBAMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000022066393 555869235 /nfs/dbraw/zinc/86/92/35/555869235.db2.gz ODHZCLLHYDWSIV-INIZCTEOSA-N -1 1 461.323 3.948 50 5 JHBAMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3nncc3C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000062595223 569612672 /nfs/dbraw/zinc/61/26/72/569612672.db2.gz LHDULEXGPNRHIB-UHFFFAOYSA-N -1 1 461.809 3.957 50 5 JHBAMM Cn1c(Sc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])nnc1C(F)(F)F ZINC000009127841 554923369 /nfs/dbraw/zinc/92/33/69/554923369.db2.gz FUPYULFRPAULRK-UHFFFAOYSA-N -1 1 459.431 3.694 50 5 JHBAMM COc1ccc(C)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009356542 555121786 /nfs/dbraw/zinc/12/17/86/555121786.db2.gz ZNCYGQUSAWTALM-UHFFFAOYSA-N -1 1 477.520 3.513 50 5 JHBAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000009714757 555444686 /nfs/dbraw/zinc/44/46/86/555444686.db2.gz SUXJMMLCUDYNAQ-UHFFFAOYSA-N -1 1 499.501 3.590 50 5 JHBAMM CCc1cc2c(COc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000009824166 555525392 /nfs/dbraw/zinc/52/53/92/555525392.db2.gz NRRZJLHMMINWTP-UHFFFAOYSA-N -1 1 476.507 3.579 50 5 JHBAMM CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(=O)c2c([O-])c3ccccc3oc-2c1 ZINC000013591330 555525775 /nfs/dbraw/zinc/52/57/75/555525775.db2.gz JCQYREOWWMNWHB-SFHVURJKSA-N -1 1 467.499 3.623 50 5 JHBAMM CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc([O-])c2c(c1)oc1ccccc1c2=O ZINC000013591330 555525779 /nfs/dbraw/zinc/52/57/79/555525779.db2.gz JCQYREOWWMNWHB-SFHVURJKSA-N -1 1 467.499 3.623 50 5 JHBAMM Cc1ccc([C@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000024527770 556133905 /nfs/dbraw/zinc/13/39/05/556133905.db2.gz IELVLEDNRZHAHZ-QFIPXVFZSA-N -1 1 486.550 3.782 50 5 JHBAMM COc1ccc(C)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016291045 523844545 /nfs/dbraw/zinc/84/45/45/523844545.db2.gz DBQIFLOJIBLWDN-UHFFFAOYSA-N -1 1 477.520 3.513 50 5 JHBAMM COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000002628135 554251270 /nfs/dbraw/zinc/25/12/70/554251270.db2.gz MUZAVBDMFIUSMI-UHFFFAOYSA-N -1 1 499.501 3.508 50 5 JHBAMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000002860346 554386681 /nfs/dbraw/zinc/38/66/81/554386681.db2.gz GBOPXGHJYPINGL-UHFFFAOYSA-N -1 1 455.448 3.655 50 5 JHBAMM O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009612550 555445862 /nfs/dbraw/zinc/44/58/62/555445862.db2.gz RSSIMGMMSVZPTH-UHFFFAOYSA-N -1 1 492.513 3.753 50 5 JHBAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000015799238 556007384 /nfs/dbraw/zinc/00/73/84/556007384.db2.gz GSLPLFUHDJTFFC-UHFFFAOYSA-N -1 1 499.501 3.581 50 5 JHBAMM CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)[C@H]1c1ccccc1 ZINC000102779452 569823796 /nfs/dbraw/zinc/82/37/96/569823796.db2.gz AZKYTBZECQIAGU-YIXXDRMTSA-N -1 1 484.512 3.636 50 5 JHBAMM COc1cc(C(=O)[N-]c2nnc(SCC(=O)Nc3ccccc3F)s2)c([N+](=O)[O-])cc1OC ZINC000009369149 555132894 /nfs/dbraw/zinc/13/28/94/555132894.db2.gz IQHRETJJTDDUPJ-UHFFFAOYSA-N -1 1 493.498 3.586 50 5 JHBAMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000022066390 555869259 /nfs/dbraw/zinc/86/92/59/555869259.db2.gz ODHZCLLHYDWSIV-MRXNPFEDSA-N -1 1 461.323 3.948 50 5 JHBAMM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000002864792 554390897 /nfs/dbraw/zinc/39/08/97/554390897.db2.gz VAMSVRKNQNTTIR-UHFFFAOYSA-N -1 1 475.866 4.000 50 5 JHBAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1ccc2c(c1)OCCO2 ZINC000009120737 554914216 /nfs/dbraw/zinc/91/42/16/554914216.db2.gz OXCUILDEDYBKGE-UHFFFAOYSA-N -1 1 455.492 3.821 50 5 JHBAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] ZINC000009561684 555360164 /nfs/dbraw/zinc/36/01/64/555360164.db2.gz UDIYUMHPPVCOBL-UHFFFAOYSA-N -1 1 456.436 3.865 50 5 JHBAMM COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000009295527 555071684 /nfs/dbraw/zinc/07/16/84/555071684.db2.gz IKHUAPWJVCCSLQ-YRNVUSSQSA-N -1 1 488.456 3.733 50 5 JHBAMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 ZINC000009569295 555366523 /nfs/dbraw/zinc/36/65/23/555366523.db2.gz INFTYRIFMIJQPF-UHFFFAOYSA-N -1 1 473.532 3.537 50 5 JHBAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000009707397 555430218 /nfs/dbraw/zinc/43/02/18/555430218.db2.gz XMFSJQXBFCJOLC-UHFFFAOYSA-N -1 1 450.476 3.712 50 5 JHBAMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000003240994 194248477 /nfs/dbraw/zinc/24/84/77/194248477.db2.gz ZNVPBDHXRACMPX-UHFFFAOYSA-N -1 1 458.423 3.574 50 5 JHBAMM CC(C)c1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1 ZINC000012383089 519845216 /nfs/dbraw/zinc/84/52/16/519845216.db2.gz KQVUJQWXIDLROQ-XFXZXTDPSA-N -1 1 450.451 3.695 50 5 JHBAMM CC(C)(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O ZINC000102794053 534663858 /nfs/dbraw/zinc/66/38/58/534663858.db2.gz FSYNNGJVBQNMLP-YPCHTBEXSA-N -1 1 468.554 3.788 50 5 JHBAMM CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[C@@H]1c1ccccc1 ZINC000009447550 555220277 /nfs/dbraw/zinc/22/02/77/555220277.db2.gz SUYYMIDTELSSEV-NVQXNPDNSA-N -1 1 470.485 3.593 50 5 JHBAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cccc([N+](=O)[O-])c1 ZINC000012584061 556081679 /nfs/dbraw/zinc/08/16/79/556081679.db2.gz DIFNKYLAQURLLN-UHFFFAOYSA-N -1 1 469.475 3.809 50 5 JHBAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100821727 569771317 /nfs/dbraw/zinc/77/13/17/569771317.db2.gz FTSZOEQROKGLEN-GOSISDBHSA-N -1 1 464.503 3.975 50 5 JHBAMM CC(C)(C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]4C[C@@](C)(CC(C)(C)C4)[C@H]32)C1=O ZINC000229923197 570042394 /nfs/dbraw/zinc/04/23/94/570042394.db2.gz FSYNNGJVBQNMLP-JHTIXPBXSA-N -1 1 468.554 3.788 50 5 JHBAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002966486 194184600 /nfs/dbraw/zinc/18/46/00/194184600.db2.gz ZRXWYPZAAIIAQQ-NTEUORMPSA-N -1 1 452.491 3.700 50 5 JHBAMM Cc1ccccc1-n1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 ZINC000002622587 554246874 /nfs/dbraw/zinc/24/68/74/554246874.db2.gz HURFCTRIQMCVCF-UHFFFAOYSA-N -1 1 474.502 3.595 50 5 JHBAMM CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(=O)c2c([O-])c3cccc(C)c3oc-2c1 ZINC000009129173 554927150 /nfs/dbraw/zinc/92/71/50/554927150.db2.gz VZQSWAJVNOLKKO-LJQANCHMSA-N -1 1 481.526 3.931 50 5 JHBAMM CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc([O-])c2c(c1)oc1c(C)cccc1c2=O ZINC000009129173 554927151 /nfs/dbraw/zinc/92/71/51/554927151.db2.gz VZQSWAJVNOLKKO-LJQANCHMSA-N -1 1 481.526 3.931 50 5 JHBAMM COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3Cl)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000014944047 524508429 /nfs/dbraw/zinc/50/84/29/524508429.db2.gz CULWXAIUNRIQSE-UHFFFAOYSA-N -1 1 474.926 3.970 50 5 JHBAMM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000002639461 554259196 /nfs/dbraw/zinc/25/91/96/554259196.db2.gz URLZTIGEJACVTG-UHFFFAOYSA-N -1 1 459.487 3.891 50 5 JHBAMM Cc1ccccc1-n1nnnc1Sc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000009119455 554910466 /nfs/dbraw/zinc/91/04/66/554910466.db2.gz XETWSUABPIPHDG-UHFFFAOYSA-N -1 1 468.520 3.831 50 5 JHBAMM CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[C@@H]1c1ccccc1 ZINC000009447547 555220283 /nfs/dbraw/zinc/22/02/83/555220283.db2.gz SUYYMIDTELSSEV-BKMJKUGQSA-N -1 1 470.485 3.593 50 5 JHBAMM COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 ZINC000009613155 555448294 /nfs/dbraw/zinc/44/82/94/555448294.db2.gz NZMORGJXKJUWLF-UHFFFAOYSA-N -1 1 499.501 3.508 50 5 JHBAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1 ZINC000009539557 555331008 /nfs/dbraw/zinc/33/10/08/555331008.db2.gz COAMJSAALDKFCL-UHFFFAOYSA-N -1 1 457.464 3.665 50 5 JHBAMM CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[C@H]1c1ccccc1 ZINC000016956646 556187516 /nfs/dbraw/zinc/18/75/16/556187516.db2.gz SUYYMIDTELSSEV-GJZUVCINSA-N -1 1 470.485 3.593 50 5 JHBAMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000003311899 194277199 /nfs/dbraw/zinc/27/71/99/194277199.db2.gz URUGVYDIFKSDDE-UHFFFAOYSA-N -1 1 476.413 3.714 50 5 JHBAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Sc1nnnn1-c1ccccc1 ZINC000009715790 194914004 /nfs/dbraw/zinc/91/40/04/194914004.db2.gz LLDQLESYAFWBIL-UHFFFAOYSA-N -1 1 454.493 3.523 50 5 JHBAMM O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000002616405 527080545 /nfs/dbraw/zinc/08/05/45/527080545.db2.gz KUWKZJAPQJVCIR-UHFFFAOYSA-N -1 1 463.475 3.543 50 5 JHBAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000006088645 554503505 /nfs/dbraw/zinc/50/35/05/554503505.db2.gz TXZJIHYHBQIRQC-UHFFFAOYSA-N -1 1 469.475 3.825 50 5 JHBAMM O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000009354433 555118425 /nfs/dbraw/zinc/11/84/25/555118425.db2.gz QPTLBAXNYGFGCH-WAOWUJCRSA-N -1 1 475.379 3.959 50 5 JHBAMM CCOC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c2[C@@H]1c1cccnc1 ZINC000009393870 555157237 /nfs/dbraw/zinc/15/72/37/555157237.db2.gz RAWRFCOHQZNWNH-GOSISDBHSA-N -1 1 479.518 3.760 50 5 JHBAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000089639177 569719277 /nfs/dbraw/zinc/71/92/77/569719277.db2.gz CJSDEPVIUGAUKT-INIZCTEOSA-N -1 1 483.502 3.888 50 5 JHBAMM COc1ccc(C)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000003991870 194368088 /nfs/dbraw/zinc/36/80/88/194368088.db2.gz XDRIXTWGFNEBGN-UHFFFAOYSA-N -1 1 477.520 3.513 50 5 JHBAMM Cc1ccc([C@@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000024527767 556133944 /nfs/dbraw/zinc/13/39/44/556133944.db2.gz IELVLEDNRZHAHZ-JOCHJYFZSA-N -1 1 486.550 3.782 50 5 JHBAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000012560645 556052554 /nfs/dbraw/zinc/05/25/54/556052554.db2.gz XMAGSQBBRBHLIU-UHFFFAOYSA-N -1 1 469.475 3.809 50 5 JHBAMM O=C1[N-]C(=S)NC1=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 ZINC000013125033 556340525 /nfs/dbraw/zinc/34/05/25/556340525.db2.gz QZAFPMAGGBPCLS-BJMVGYQFSA-N -1 1 473.102 3.725 50 5 JHBAMM CC(C)(C)N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O ZINC000102794051 534664142 /nfs/dbraw/zinc/66/41/42/534664142.db2.gz FSYNNGJVBQNMLP-NTXXYHJASA-N -1 1 468.554 3.788 50 5 JHBAMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008628158 525608329 /nfs/dbraw/zinc/60/83/29/525608329.db2.gz ONKHWZVQCUYVOK-UHFFFAOYSA-N -1 1 461.521 3.813 50 5 JHBAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)cc1 ZINC000013145296 555341581 /nfs/dbraw/zinc/34/15/81/555341581.db2.gz ITPWNGVHYMGTCF-UHFFFAOYSA-N -1 1 457.464 3.665 50 5 JHBAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000015566048 555916111 /nfs/dbraw/zinc/91/61/11/555916111.db2.gz XRJYXXZOFBWIBD-UHFFFAOYSA-N -1 1 488.957 3.527 50 5 JHBAMM COC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c2[C@H]1c1ccccc1OC ZINC000102754105 569821098 /nfs/dbraw/zinc/82/10/98/569821098.db2.gz NEZDOKOVOUSLEG-IBGZPJMESA-N -1 1 494.529 3.983 50 5 JHBAMM CC(C)(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]4C[C@@](C)(CC(C)(C)C4)[C@H]32)C1=O ZINC000009186222 554958573 /nfs/dbraw/zinc/95/85/73/554958573.db2.gz FSYNNGJVBQNMLP-WNQOEEHFSA-N -1 1 468.554 3.788 50 5 JHBAMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)Nc1ccccc1F ZINC000012525854 525305702 /nfs/dbraw/zinc/30/57/02/525305702.db2.gz KTQIHXKKVBQCCI-UHFFFAOYSA-N -1 1 479.511 3.952 50 5 JHBAMM CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=S)N(C3CC3)C2=O)[C@H]1c1ccccc1 ZINC000013842516 555631784 /nfs/dbraw/zinc/63/17/84/555631784.db2.gz CVEMJILOHWSCIO-XXBNENTESA-N -1 1 450.520 3.951 50 5 JHBAMM Cc1ccccc1-n1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000002641443 554260689 /nfs/dbraw/zinc/26/06/89/554260689.db2.gz MDAAGHZJLOGPRC-UHFFFAOYSA-N -1 1 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555878036 /nfs/dbraw/zinc/87/80/36/555878036.db2.gz KMFUAXNIZJWTHS-UHFFFAOYSA-N -1 1 499.961 3.853 50 5 JHBAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000089639180 569719274 /nfs/dbraw/zinc/71/92/74/569719274.db2.gz CJSDEPVIUGAUKT-MRXNPFEDSA-N -1 1 483.502 3.888 50 5 JHBAMM O=C([O-])c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Cl)c1 ZINC000002860363 554386686 /nfs/dbraw/zinc/38/66/86/554386686.db2.gz QNNRUXIGEXFQSX-UHFFFAOYSA-N -1 1 475.866 4.000 50 5 JHBAMM COc1cc(C(=O)[N-]c2nnc(SCC(=O)Nc3ccc(F)cc3)s2)c([N+](=O)[O-])cc1OC ZINC000009368349 555131421 /nfs/dbraw/zinc/13/14/21/555131421.db2.gz ZLWMJFTYGHXHSN-UHFFFAOYSA-N -1 1 493.498 3.586 50 5 JHBAMM COc1cc(C(=O)[N-]c2nnc(SCC(=O)Nc3cccc(C)c3)s2)c([N+](=O)[O-])cc1OC ZINC000009369148 555132865 /nfs/dbraw/zinc/13/28/65/555132865.db2.gz VYNMHSHBWZYMDG-UHFFFAOYSA-N -1 1 489.535 3.755 50 5 JHBAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000009631574 555460736 /nfs/dbraw/zinc/46/07/36/555460736.db2.gz UGZJTOYCQUURQM-NRFANRHFSA-N -1 1 481.486 3.944 50 5 JHBAMM CCOC(=O)c1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1C ZINC000024578072 556137073 /nfs/dbraw/zinc/13/70/73/556137073.db2.gz NEECYXQKVYEMDB-UHFFFAOYSA-N -1 1 464.887 3.720 50 5 JHBAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000012556345 556042488 /nfs/dbraw/zinc/04/24/88/556042488.db2.gz QGOZRRMPADLFOK-UHFFFAOYSA-N -1 1 472.958 3.827 50 5 JHBAMM O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000017197946 556239263 /nfs/dbraw/zinc/23/92/63/556239263.db2.gz QPTLBAXNYGFGCH-OPYAIIAOSA-N -1 1 475.379 3.959 50 5 JHBAMM CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000009128883 554926166 /nfs/dbraw/zinc/92/61/66/554926166.db2.gz YBGJFYVHRZSCFE-UHFFFAOYSA-N -1 1 474.564 3.600 50 5 JHBAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009539997 555332444 /nfs/dbraw/zinc/33/24/44/555332444.db2.gz YSXXNFGSNYHFCR-UHFFFAOYSA-N -1 1 489.893 3.845 50 5 JHBAMM O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915357 554808816 /nfs/dbraw/zinc/80/88/16/554808816.db2.gz SWDHZKXTZGDMIV-DBXWQHBBSA-N -1 1 475.379 3.959 50 5 JHBAMM COc1ccc(C)cc1-n1nnnc1Sc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000009128545 554925465 /nfs/dbraw/zinc/92/54/65/554925465.db2.gz ROMWYNWKAQUZGS-UHFFFAOYSA-N -1 1 498.546 3.840 50 5 JHBAMM