smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@@H]1Nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2CN(CCc2ccc3c(c2)OCO3)C1=O ZINC000001485082 561675927 /nfs/dbraw/zinc/67/59/27/561675927.db2.gz IHQOFYRMKAQGIT-QHCPKHFHSA-N -1 0 541.564 3.062 1 0 KGAFRM COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@@H](c1cn(C)c2cc(CO)ccc12)c1ccc2c(c1)OCO2 ZINC000001487556 561676033 /nfs/dbraw/zinc/67/60/33/561676033.db2.gz PGAMLYVKCIXYNX-AREMUKBSSA-N -1 0 522.579 3.353 1 0 KGAFRM CN(C)Cc1nccn1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[n-]5)c4)c3C2=O)cc1 ZINC000001494455 561676537 /nfs/dbraw/zinc/67/65/37/561676537.db2.gz IBHNCZUUOXCFBP-UHFFFAOYSA-N -1 0 563.544 3.420 1 0 KGAFRM Cc1ccccc1S(=O)(=O)[N-]n1cnc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O ZINC000001651085 561678527 /nfs/dbraw/zinc/67/85/27/561678527.db2.gz KWRKECDKWDELSB-UHFFFAOYSA-N -1 0 504.977 3.092 1 0 KGAFRM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)C2=C(C(=O)[O-])CCC2)s1 ZINC000001891053 561680141 /nfs/dbraw/zinc/68/01/41/561680141.db2.gz UFZKNCXXIFQTNB-QPLCGJKRSA-N -1 0 501.572 3.395 1 0 KGAFRM C[N@H+](CCO[P@](=O)([O-])CP(=O)([O-])O)CCc1ccc(-n2cc(-c3cccc(O)c3)c3c2ncnc3N)cc1 ZINC000001907963 561680096 /nfs/dbraw/zinc/68/00/96/561680096.db2.gz MNRKNYSOLOJVCY-UHFFFAOYSA-N -1 0 561.472 3.187 1 0 KGAFRM Cc1nc(N)sc1S(=O)(=O)[N-]c1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1 ZINC000003838289 561683765 /nfs/dbraw/zinc/68/37/65/561683765.db2.gz IFCLYKYOVNGIHB-UHFFFAOYSA-N -1 0 595.682 3.222 1 0 KGAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1 ZINC000003838295 561683834 /nfs/dbraw/zinc/68/38/34/561683834.db2.gz IVBLVHSUXQCZKG-UHFFFAOYSA-N -1 0 578.626 3.480 1 0 KGAFRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000003920597 561685671 /nfs/dbraw/zinc/68/56/71/561685671.db2.gz RJTLSMDGEGLOSR-BZSNNMDCSA-N -1 0 563.520 3.038 1 0 KGAFRM CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000003925301 561686403 /nfs/dbraw/zinc/68/64/03/561686403.db2.gz YUTZNAKQBPZDHU-APWZRJJASA-N -1 0 597.575 3.074 1 0 KGAFRM CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@H]1C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000003927595 561686866 /nfs/dbraw/zinc/68/68/66/561686866.db2.gz ODDARQUBFJIPRJ-PBIIQAGSSA-N -1 0 527.666 3.173 1 0 KGAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCCN1C(=O)c2cccc3cccc(c32)C1=O)[P@@](=O)([O-])O ZINC000003930581 561687386 /nfs/dbraw/zinc/68/73/86/561687386.db2.gz VAKSYJYARAOAEQ-QKDODKLFSA-N -1 0 622.659 3.198 1 0 KGAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000003931143 561687501 /nfs/dbraw/zinc/68/75/01/561687501.db2.gz DFQKZFFVISYVDA-YFBXQHAESA-N -1 0 624.474 3.135 1 0 KGAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000003934234 561688201 /nfs/dbraw/zinc/68/82/01/561688201.db2.gz QERRYNKMJLOQEN-CYFREDJKSA-N -1 0 591.514 3.083 1 0 KGAFRM COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCOC(C)=O)c3c2OC(F)F)CC1 ZINC000003943564 561689668 /nfs/dbraw/zinc/68/96/68/561689668.db2.gz ULWJOYYOESSNLD-UHFFFAOYSA-N -1 0 549.502 3.339 1 0 KGAFRM O=C([O-])[C@]1(OCCCc2ccc(Cl)cc2)C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2snnc2-c2ccccc2)C1 ZINC000003945302 561689904 /nfs/dbraw/zinc/68/99/04/561689904.db2.gz WJKBWVYTVHLQSX-JDFHOKRYSA-N -1 0 533.002 3.372 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 ZINC000003947893 561690139 /nfs/dbraw/zinc/69/01/39/561690139.db2.gz JZFJNTFYXXDWCM-KFFAGCAXSA-N -1 0 587.654 3.231 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccncc2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 ZINC000003947895 561690162 /nfs/dbraw/zinc/69/01/62/561690162.db2.gz KQGDXSHRSJLCSW-WIHJZSISSA-N -1 0 562.648 3.078 1 0 KGAFRM COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCS(=O)(=O)[O-])c2)cc1 ZINC000003952882 561690681 /nfs/dbraw/zinc/69/06/81/561690681.db2.gz GNKXKTKCZOIGSL-SSEXGKCCSA-N -1 0 614.625 3.496 1 0 KGAFRM CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(F)c2)C(=O)O1 ZINC000003980026 561692340 /nfs/dbraw/zinc/69/23/40/561692340.db2.gz YASYJPVDDVXERW-IBGZPJMESA-N -1 0 581.576 3.101 1 0 KGAFRM CN1CCCN(S(=O)(=O)c2c(Cl)ccc(Nc3c(=O)c(=O)c3Nc3ccccc3Cl)c2[O-])CC1 ZINC000003989344 561693202 /nfs/dbraw/zinc/69/32/02/561693202.db2.gz DWGOCGSWVMAWCI-UHFFFAOYSA-N -1 0 525.414 3.108 1 0 KGAFRM COc1ccc(S(C)(=O)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1c(F)cccc1Cl)C(C)C ZINC000003993749 561693555 /nfs/dbraw/zinc/69/35/55/561693555.db2.gz QENZECCKNUZHEO-LVXARBLLSA-N -1 0 631.144 3.037 1 0 KGAFRM O=C([O-])C[C@H](NC(=O)CNC(=O)c1cnc(NC(=O)NCc2ccccc2)o1)c1cc(Cl)cc(Cl)c1 ZINC000003994258 561693631 /nfs/dbraw/zinc/69/36/31/561693631.db2.gz IHJDDZUSFQGHNY-KRWDZBQOSA-N -1 0 534.356 3.365 1 0 KGAFRM COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCS(=O)(=O)[O-])c2)cc1 ZINC000005493658 561696037 /nfs/dbraw/zinc/69/60/37/561696037.db2.gz GNKXKTKCZOIGSL-PMERELPUSA-N -1 0 614.625 3.496 1 0 KGAFRM Cc1cnoc1[N-]S(=O)(=O)c1ccc(Nc2nnc(/C=C/c3c(O)ccc4ccccc43)c(=O)n2N)cc1 ZINC000005579403 561696751 /nfs/dbraw/zinc/69/67/51/561696751.db2.gz QMZUJLHVVSJAFD-VAWYXSNFSA-N -1 0 531.554 3.222 1 0 KGAFRM CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(F)(F)F ZINC000005729403 561697784 /nfs/dbraw/zinc/69/77/84/561697784.db2.gz BIDHEVOACWBNGV-OAQYLSRUSA-N -1 0 526.493 3.447 1 0 KGAFRM CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)C(F)(F)F ZINC000005729445 561697741 /nfs/dbraw/zinc/69/77/41/561697741.db2.gz LUKRHXWOIHNNBT-NRFANRHFSA-N -1 0 531.557 3.290 1 0 KGAFRM CCOC(=O)[C@@](NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1)C(F)(F)F ZINC000005742237 561698182 /nfs/dbraw/zinc/69/81/82/561698182.db2.gz AOCZIGJIXLUOCB-HHHXNRCGSA-N -1 0 592.546 3.232 1 0 KGAFRM CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(F)(F)F ZINC000006023750 561702066 /nfs/dbraw/zinc/70/20/66/561702066.db2.gz BIDHEVOACWBNGV-NRFANRHFSA-N -1 0 526.493 3.447 1 0 KGAFRM Cc1cc(=O)n(C(=O)CSc2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)[n-]1 ZINC000006040672 561702095 /nfs/dbraw/zinc/70/20/95/561702095.db2.gz HCHCWBVURHSPEY-UHFFFAOYSA-N -1 0 532.363 3.276 1 0 KGAFRM CC(=O)NC[C@H]1CN(c2ccc(OC[C@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000009132610 561708865 /nfs/dbraw/zinc/70/88/65/561708865.db2.gz YUTZNAKQBPZDHU-LPHOPBHVSA-N -1 0 597.575 3.074 1 0 KGAFRM COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)cc1 ZINC000011687602 561709930 /nfs/dbraw/zinc/70/99/30/561709930.db2.gz KXFWXSJMVLPHDA-FGZHOGPDSA-N -1 0 525.577 3.482 1 0 KGAFRM COc1cc(CSC[C@H](NC(C)=O)C(=O)[O-])cc2c1-c1c(c(O)c3c(c1O)C(=O)CC[C@@H]3OC)C2 ZINC000013430843 560216642 /nfs/dbraw/zinc/21/66/42/560216642.db2.gz XSTMCEQPHBSFEK-RDJZCZTQSA-N -1 0 501.557 3.164 1 0 in-vitro KGAFRM COc1cc(CSC[C@H](NC(C)=O)C(=O)[O-])cc2c1-c1c(c(O)c3c(c1O)C(=O)CC[C@H]3OC)C2 ZINC000013430846 560216659 /nfs/dbraw/zinc/21/66/59/560216659.db2.gz XSTMCEQPHBSFEK-DOTOQJQBSA-N -1 0 501.557 3.164 1 0 in-vitro KGAFRM O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1cnc2ccccc2c1 ZINC000013436078 561711849 /nfs/dbraw/zinc/71/18/49/561711849.db2.gz LEEJTINVSSJMDG-CYFREDJKSA-N -1 0 501.587 3.101 1 0 KGAFRM O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2ncsc2c1 ZINC000013436109 561711838 /nfs/dbraw/zinc/71/18/38/561711838.db2.gz VVILZPGXJJNTRY-UWJYYQICSA-N -1 0 507.616 3.163 1 0 KGAFRM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CC[C@H](CCc3ccc4c(n3)NCCC4)C2=O)cc1F ZINC000013436119 561711847 /nfs/dbraw/zinc/71/18/47/561711847.db2.gz FJUFYEBFJYPEFS-AVRDEDQJSA-N -1 0 512.582 3.091 1 0 KGAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OCF)cc1 ZINC000013438555 561712261 /nfs/dbraw/zinc/71/22/61/561712261.db2.gz SALKSINYSDSNQB-MSOLQXFVSA-N -1 0 505.351 3.394 1 0 KGAFRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013438561 561712262 /nfs/dbraw/zinc/71/22/62/561712262.db2.gz NDTSMDJDMBJXNX-NQIIRXRSSA-N -1 0 501.388 3.487 1 0 KGAFRM COc1ccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013438564 561712201 /nfs/dbraw/zinc/71/22/01/561712201.db2.gz DMZMLUCRGUZZPE-RXVVDRJESA-N -1 0 501.388 3.271 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000013438712 561712260 /nfs/dbraw/zinc/71/22/60/561712260.db2.gz HLUUKMWLLADVRH-ROUUACIJSA-N -1 0 507.342 3.237 1 0 KGAFRM O=C([O-])[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000013438721 561712254 /nfs/dbraw/zinc/71/22/54/561712254.db2.gz OPKAUQAIFQSBOZ-ROUUACIJSA-N -1 0 507.342 3.237 1 0 KGAFRM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])CC(F)F ZINC000013439166 561712259 /nfs/dbraw/zinc/71/22/59/561712259.db2.gz DZERJEVGAUXAKW-FUOQNJDISA-N -1 0 513.582 3.473 1 0 KGAFRM O=C([O-])[C@H](CCCNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)NC(=O)OCc1ccccc1 ZINC000013441580 561712734 /nfs/dbraw/zinc/71/27/34/561712734.db2.gz ZPHCNAMZZJBJIP-FQEVSTJZSA-N -1 0 508.531 3.491 1 0 KGAFRM COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(N(C)C)n1 ZINC000013442585 561712882 /nfs/dbraw/zinc/71/28/82/561712882.db2.gz NEQBNHXIZDHOMG-HNNXBMFYSA-N -1 0 506.350 3.008 1 0 KGAFRM COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(F)cccc3C(F)(F)F)cc2)C(=O)[O-])nc(OC)n1 ZINC000013442589 561712885 /nfs/dbraw/zinc/71/28/85/561712885.db2.gz UFPHSDSUWFUDFC-HNNXBMFYSA-N -1 0 509.416 3.407 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3cccnc3)CCN(C(C)=O)CC2)C(=O)[O-])cc1 ZINC000013445369 561713078 /nfs/dbraw/zinc/71/30/78/561713078.db2.gz VGUXHZDVUZBCSL-VWLOTQADSA-N -1 0 501.583 3.449 1 0 KGAFRM CC(=O)N1CSC[C@@H]1C(=O)N/C(=C\c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000013488056 561715528 /nfs/dbraw/zinc/71/55/28/561715528.db2.gz CPWXAEABNBAWBW-LTFKWQPMSA-N -1 0 509.371 3.104 1 0 KGAFRM CC(=O)N1CSC[C@@H]1C(=O)N/C(=C/c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000013488057 561715533 /nfs/dbraw/zinc/71/55/33/561715533.db2.gz CPWXAEABNBAWBW-UMNNMYMZSA-N -1 0 509.371 3.104 1 0 KGAFRM CCN(CC)S(=O)(=O)C1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3OC)cc2)C(=O)[O-])CCCC1 ZINC000013488143 561715480 /nfs/dbraw/zinc/71/54/80/561715480.db2.gz LWMXBHHAGNVCLL-QFIPXVFZSA-N -1 0 502.633 3.459 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)C(=O)[O-])cc1 ZINC000013488148 561715521 /nfs/dbraw/zinc/71/55/21/561715521.db2.gz DAEIMVCXNQVMSM-DEOSSOPVSA-N -1 0 523.607 3.497 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1 ZINC000013488149 561715515 /nfs/dbraw/zinc/71/55/15/561715515.db2.gz SMZRAZWAVQZBEC-WNCULLNHSA-N -1 0 509.580 3.107 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1 ZINC000013488150 561715523 /nfs/dbraw/zinc/71/55/23/561715523.db2.gz SMZRAZWAVQZBEC-HOFKKMOUSA-N -1 0 509.580 3.107 1 0 KGAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccco1 ZINC000013558430 561719265 /nfs/dbraw/zinc/71/92/65/561719265.db2.gz RWKMWQXFHQMLKJ-UHFFFAOYSA-N -1 0 508.021 3.364 1 0 KGAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccccn1 ZINC000013558431 561719283 /nfs/dbraw/zinc/71/92/83/561719283.db2.gz ZSVIKHFEPQLYQS-UHFFFAOYSA-N -1 0 519.048 3.166 1 0 KGAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1cccnc1 ZINC000013558432 561719269 /nfs/dbraw/zinc/71/92/69/561719269.db2.gz VCRUNBGAELNLJL-UHFFFAOYSA-N -1 0 519.048 3.166 1 0 KGAFRM COc1cc(OC)cc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(C)c3cc(OC)c(OC)cc32)c1 ZINC000013561021 561719818 /nfs/dbraw/zinc/71/98/18/561719818.db2.gz SIDYXJUOCRCIEO-IAPPQJPRSA-N -1 0 522.554 3.063 1 0 KGAFRM C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](N(C)CCO)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)[O-] ZINC000013583011 561720217 /nfs/dbraw/zinc/72/02/17/561720217.db2.gz UPGAAMXWKJXGSM-BHQPJMTKSA-N -1 0 517.711 3.302 1 0 KGAFRM C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C(C)(C)c1ccccc1)S(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000013583050 561720135 /nfs/dbraw/zinc/72/01/35/561720135.db2.gz COTGCKUWKKAUON-TYOFZRJGSA-N -1 0 522.708 3.422 1 0 KGAFRM C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)(C)c1ccccc1)S(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000013583053 561720168 /nfs/dbraw/zinc/72/01/68/561720168.db2.gz COTGCKUWKKAUON-PSRNMDMQSA-N -1 0 522.708 3.422 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013586358 561720540 /nfs/dbraw/zinc/72/05/40/561720540.db2.gz YMOROWYLKHYOQE-DYLHXGEVSA-N -1 0 507.578 3.298 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013586359 561720513 /nfs/dbraw/zinc/72/05/13/561720513.db2.gz YMOROWYLKHYOQE-CUVVAGTFSA-N -1 0 507.578 3.298 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013586360 561720507 /nfs/dbraw/zinc/72/05/07/561720507.db2.gz YMOROWYLKHYOQE-GOHWNWGWSA-N -1 0 507.578 3.298 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013586361 561720508 /nfs/dbraw/zinc/72/05/08/561720508.db2.gz YMOROWYLKHYOQE-BVFVYWQFSA-N -1 0 507.578 3.298 1 0 KGAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)C(=O)Cc2ccccc2)C(=O)[O-])cc1 ZINC000013587693 561720882 /nfs/dbraw/zinc/72/08/82/561720882.db2.gz JNQDZKNQSKURFC-QHCPKHFHSA-N -1 0 502.633 3.193 1 0 KGAFRM COc1ccc(OC)c(CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCC2CCCCC2)C(C)C)c1 ZINC000013589577 561721360 /nfs/dbraw/zinc/72/13/60/561721360.db2.gz YILDJMOAQGSSRL-LVXARBLLSA-N -1 0 536.691 3.229 1 0 KGAFRM CC(C)C[C@H](N[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](C)C(=O)[O-] ZINC000013651468 561723113 /nfs/dbraw/zinc/72/31/13/561723113.db2.gz IBIVKJSACNCNGT-XSEFMFLKSA-N -1 0 521.551 3.052 1 0 KGAFRM CC(C)C[C@H](N[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](C)C(=O)[O-] ZINC000013651470 561723127 /nfs/dbraw/zinc/72/31/27/561723127.db2.gz IBIVKJSACNCNGT-IITNATTFSA-N -1 0 521.551 3.052 1 0 KGAFRM CCCn1c2cc(-c3ccc(OCC(=O)N[C@@H](C(=O)[O-])c4ccccc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678892 561724529 /nfs/dbraw/zinc/72/45/29/561724529.db2.gz SUDRCIBHRPDJGC-XMMPIXPASA-N -1 0 518.570 3.299 1 0 KGAFRM CCCn1c2cc(-c3ccc(OCC(=O)N[C@H](C(=O)[O-])c4ccccc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678894 561724506 /nfs/dbraw/zinc/72/45/06/561724506.db2.gz SUDRCIBHRPDJGC-DEOSSOPVSA-N -1 0 518.570 3.299 1 0 KGAFRM CCCCc1ncc(C=C2C(=O)N(CCCC)C(=O)N2Cc2nnn[n-]2)n1Cc1ccc(C(=O)OC)cc1 ZINC000013743390 561726491 /nfs/dbraw/zinc/72/64/91/561726491.db2.gz SKNMDFCVYBECQT-STZFKDTASA-N -1 0 520.594 3.179 1 0 KGAFRM CSCC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013746819 561726861 /nfs/dbraw/zinc/72/68/61/561726861.db2.gz DNRDODDEPJXJAX-VABKMULXSA-N -1 0 528.675 3.273 1 0 KGAFRM O=C([O-])[C@]1(OCCCCc2ccc(Cl)cc2)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000013760879 561727659 /nfs/dbraw/zinc/72/76/59/561727659.db2.gz RNXLLTKDJTXNAP-GSTBBQIISA-N -1 0 504.963 3.349 1 0 KGAFRM CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3[O-])c(F)c(N(C)CC(=O)[O-])c2F)c1 ZINC000013781064 561729352 /nfs/dbraw/zinc/72/93/52/561729352.db2.gz SJXRMUMLUCMWJJ-UHFFFAOYSA-N -1 0 515.473 3.157 1 0 KGAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(S(N)(=O)=O)c2C)c1Cl ZINC000013801633 561730695 /nfs/dbraw/zinc/73/06/95/561730695.db2.gz DJXXZZHIAPUFSR-UHFFFAOYSA-N -1 0 519.026 3.324 1 0 KGAFRM O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)NC(=O)OCc1ccccc1 ZINC000013803625 561731052 /nfs/dbraw/zinc/73/10/52/561731052.db2.gz VDGWHXBQNHLEHE-QFIPXVFZSA-N -1 0 516.558 3.043 1 0 KGAFRM CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)[O-])cc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000013806296 561731458 /nfs/dbraw/zinc/73/14/58/561731458.db2.gz TVQXEDLVTCLFMN-UHFFFAOYSA-N -1 0 505.531 3.089 1 0 KGAFRM [NH3+][C@@H](Cc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000013807110 561731448 /nfs/dbraw/zinc/73/14/48/561731448.db2.gz ZVUVYJXPSHZSJI-PZUNEJSGSA-N -1 0 510.527 3.161 1 0 KGAFRM [NH3+][C@H](Cc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000013807112 561731477 /nfs/dbraw/zinc/73/14/77/561731477.db2.gz ZVUVYJXPSHZSJI-VJTSUQJLSA-N -1 0 510.527 3.161 1 0 KGAFRM CC(=O)N1[C@H](CC(C)(C)C)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000013813236 561731757 /nfs/dbraw/zinc/73/17/57/561731757.db2.gz AVFMREIJBHKRQO-XZOQPEGZSA-N -1 0 507.587 3.029 1 0 KGAFRM COc1ccc([C@@H](Oc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-])cc1 ZINC000013819737 561732467 /nfs/dbraw/zinc/73/24/67/561732467.db2.gz VSPFPBPROGTMGI-SXWKCWPCSA-N -1 0 520.529 3.140 1 0 KGAFRM COc1ccc([C@H](Oc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-])cc1 ZINC000013819739 561732522 /nfs/dbraw/zinc/73/25/22/561732522.db2.gz VSPFPBPROGTMGI-JTAQYXEDSA-N -1 0 520.529 3.140 1 0 KGAFRM CC(C)C[C@H](NC(=O)Cn1c2ccccc2nc1-c1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013819765 561732508 /nfs/dbraw/zinc/73/25/08/561732508.db2.gz ZHFVXQBSNWUZIZ-OALUTQOASA-N -1 0 514.529 3.028 1 0 KGAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-] ZINC000013861397 561734617 /nfs/dbraw/zinc/73/46/17/561734617.db2.gz NFWGGZOXEYJKCJ-JLCRNFDHSA-N -1 0 515.692 3.213 1 0 KGAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-] ZINC000013861398 561734761 /nfs/dbraw/zinc/73/47/61/561734761.db2.gz NFWGGZOXEYJKCJ-HZKQSDJQSA-N -1 0 515.692 3.213 1 0 KGAFRM COCCOC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(SC)cc3)cc2)C(=O)[O-])CC1 ZINC000013863412 561734991 /nfs/dbraw/zinc/73/49/91/561734991.db2.gz FNURWSLLBXZLRC-JOCHJYFZSA-N -1 0 522.645 3.302 1 0 KGAFRM COCCOC(=O)N1CCC([C@H](NS(=O)(=O)c2ccc(-c3ccc(SC)cc3)cc2)C(=O)[O-])CC1 ZINC000013863413 561734994 /nfs/dbraw/zinc/73/49/94/561734994.db2.gz FNURWSLLBXZLRC-QFIPXVFZSA-N -1 0 522.645 3.302 1 0 KGAFRM CC(C)C[C@H](NC(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000013895155 561735484 /nfs/dbraw/zinc/73/54/84/561735484.db2.gz ODDARQUBFJIPRJ-CVKIWWORSA-N -1 0 527.666 3.173 1 0 KGAFRM CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000013895159 561735619 /nfs/dbraw/zinc/73/56/19/561735619.db2.gz ODDARQUBFJIPRJ-WJHCDBIXSA-N -1 0 527.666 3.173 1 0 KGAFRM CC(=O)[N-]S(=O)(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 ZINC000013900148 561735617 /nfs/dbraw/zinc/73/56/17/561735617.db2.gz CXWXOLDASWVADI-QHCPKHFHSA-N -1 0 511.604 3.005 1 0 KGAFRM COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(CO)ccc12)c1ccc2c(c1)OCO2 ZINC000013911487 561735714 /nfs/dbraw/zinc/73/57/14/561735714.db2.gz PGAMLYVKCIXYNX-SANMLTNESA-N -1 0 522.579 3.353 1 0 KGAFRM O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cnc(NC(=O)NCc2ccccc2)o1)c1cc(Cl)cc(Cl)c1 ZINC000014128414 561736953 /nfs/dbraw/zinc/73/69/53/561736953.db2.gz IHJDDZUSFQGHNY-QGZVFWFLSA-N -1 0 534.356 3.365 1 0 KGAFRM CCOc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(C(N)=O)ccc12)c1ccc2c(c1)OCO2 ZINC000014141063 561737069 /nfs/dbraw/zinc/73/70/69/561737069.db2.gz UEHPBBFVUYURNP-SANMLTNESA-N -1 0 549.605 3.350 1 0 KGAFRM Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O ZINC000014210465 561737842 /nfs/dbraw/zinc/73/78/42/561737842.db2.gz FBFPKPPWVZPZDO-XZOQPEGZSA-N -1 0 524.624 3.024 1 0 KGAFRM Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])c(C)c1 ZINC000014211085 561738072 /nfs/dbraw/zinc/73/80/72/561738072.db2.gz ZJQXQBNPHQGXKR-VJGNERBWSA-N -1 0 617.703 3.214 1 0 KGAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCCN1C(=O)c2cccc3cccc(c32)C1=O)[P@@](=O)([O-])O ZINC000014276160 561738875 /nfs/dbraw/zinc/73/88/75/561738875.db2.gz VAKSYJYARAOAEQ-GMQQYTKMSA-N -1 0 622.659 3.198 1 0 KGAFRM CC[C@@H](C)c1cc2c(Cl)c3c(c([O-])c2c(=O)n1N)-c1c(O)c2c(c4c1[C@@H](C3)OCO4)O[C@@H]1[C@H](OC)C=C[C@H](O)[C@@H]1C2=O ZINC000014294481 561739358 /nfs/dbraw/zinc/73/93/58/561739358.db2.gz LGOPVBMUGSRUOT-CSKWEWBKSA-N -1 0 597.020 3.430 1 0 in-vitro KGAFRM CC[C@H](C)c1cc2c(Cl)c3c(c([O-])c2c(=O)n1N)-c1c(O)c2c(c4c1[C@@H](C3)OCO4)O[C@@H]1[C@H](OC)C=C[C@H](O)[C@@H]1C2=O ZINC000014294483 561739317 /nfs/dbraw/zinc/73/93/17/561739317.db2.gz LGOPVBMUGSRUOT-KGDXPGCSSA-N -1 0 597.020 3.430 1 0 in-vitro KGAFRM O=C(N[C@@H]1C[NH2+]C[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2C(=O)OCC2CCCCC2)c(O)c1)c1ccc(O)cc1 ZINC000014944173 561742369 /nfs/dbraw/zinc/74/23/69/561742369.db2.gz RYJIUYPHHDCWNM-YIXXDRMTSA-N -1 0 618.639 3.404 1 0 KGAFRM COc1ccc(Br)cc1[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000014947295 561744518 /nfs/dbraw/zinc/74/45/18/561744518.db2.gz NKBSCZIQSOVWKJ-WDJPJFJCSA-N -1 0 595.512 3.094 1 0 KGAFRM COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000014947297 561744570 /nfs/dbraw/zinc/74/45/70/561744570.db2.gz RBCPNDRFXKBOQT-CUNXSJBXSA-N -1 0 542.654 3.043 1 0 KGAFRM COc1ccc(-c2nc(C)no2)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000014947300 561744574 /nfs/dbraw/zinc/74/45/74/561744574.db2.gz COLCPJSXGNKCEG-CUNXSJBXSA-N -1 0 582.679 3.199 1 0 KGAFRM CCCN(CCC)S(=O)(=O)c1cncc(C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc2ccc(F)cc2)c1 ZINC000014947303 561744537 /nfs/dbraw/zinc/74/45/37/561744537.db2.gz XRJLXINAIPDKGN-NRFANRHFSA-N -1 0 539.651 3.107 1 0 KGAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NCC(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000014954201 561746858 /nfs/dbraw/zinc/74/68/58/561746858.db2.gz XPNMKIHCDZHYBD-FQEVSTJZSA-N -1 0 559.616 3.087 1 0 KGAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000014954219 561746856 /nfs/dbraw/zinc/74/68/56/561746856.db2.gz IKOXRHVKSOJWLA-FQEVSTJZSA-N -1 0 560.600 3.053 1 0 KGAFRM CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)c1nc2ccccc2[nH]1 ZINC000014955169 561747230 /nfs/dbraw/zinc/74/72/30/561747230.db2.gz DLGIAAKQWIJBHK-GSDHBNRESA-N -1 0 559.648 3.441 1 0 KGAFRM CC(=O)Nc1cccc(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1 ZINC000014956936 561747777 /nfs/dbraw/zinc/74/77/77/561747777.db2.gz VOUGMWMFYJSPOJ-GOSISDBHSA-N -1 0 501.499 3.488 1 0 KGAFRM CC(=O)Nc1cccc(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1 ZINC000014956940 561747861 /nfs/dbraw/zinc/74/78/61/561747861.db2.gz VOUGMWMFYJSPOJ-SFHVURJKSA-N -1 0 501.499 3.488 1 0 KGAFRM Cn1ncc(N2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000014962228 561748662 /nfs/dbraw/zinc/74/86/62/561748662.db2.gz OSQNFWWDIQJEHF-IBGZPJMESA-N -1 0 531.396 3.016 1 0 KGAFRM CCn1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cnc(C)cn1 ZINC000014967832 561750346 /nfs/dbraw/zinc/75/03/46/561750346.db2.gz XOXXJOLIUVJJAA-FGZHOGPDSA-N -1 0 512.582 3.170 1 0 KGAFRM CC(C)c1c(C(=O)N(C)Cc2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967855 561750295 /nfs/dbraw/zinc/75/02/95/561750295.db2.gz ZWAXQNCNRHKSOI-YADHBBJMSA-N -1 0 513.566 3.372 1 0 KGAFRM CC(C)c1c(C(=O)NCc2cccc(F)c2F)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967859 561750353 /nfs/dbraw/zinc/75/03/53/561750353.db2.gz FDLHNOWKQMFSQT-MOPGFXCFSA-N -1 0 535.519 3.308 1 0 KGAFRM Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1 ZINC000014967871 561750334 /nfs/dbraw/zinc/75/03/34/561750334.db2.gz NUJQNVHXBHEJJD-YADHBBJMSA-N -1 0 513.566 3.339 1 0 KGAFRM Cc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014967874 561750312 /nfs/dbraw/zinc/75/03/12/561750312.db2.gz KJCQIVZEEFILIS-YADHBBJMSA-N -1 0 513.566 3.339 1 0 KGAFRM Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C ZINC000014967878 561750314 /nfs/dbraw/zinc/75/03/14/561750314.db2.gz ZAHAKGSYZSHOLX-YADHBBJMSA-N -1 0 513.566 3.339 1 0 KGAFRM COc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1 ZINC000014967882 561750340 /nfs/dbraw/zinc/75/03/40/561750340.db2.gz IZGVKPJGRQWQJR-RTWAWAEBSA-N -1 0 529.565 3.039 1 0 KGAFRM COc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014967886 561750327 /nfs/dbraw/zinc/75/03/27/561750327.db2.gz SBGJIKSFKHFLEJ-RTWAWAEBSA-N -1 0 529.565 3.039 1 0 KGAFRM COc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C ZINC000014967890 561750309 /nfs/dbraw/zinc/75/03/09/561750309.db2.gz OVDLOXJEUYZUIU-RTWAWAEBSA-N -1 0 529.565 3.039 1 0 KGAFRM COc1cc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc(OC)c1 ZINC000014967910 561750352 /nfs/dbraw/zinc/75/03/52/561750352.db2.gz ZNAJCIKMRLEKAA-YADHBBJMSA-N -1 0 573.618 3.390 1 0 KGAFRM COc1cccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014967930 561750322 /nfs/dbraw/zinc/75/03/22/561750322.db2.gz GGHHUYDMLMMLKD-YADHBBJMSA-N -1 0 543.592 3.381 1 0 KGAFRM CC(C)c1c(C(=O)NCCc2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967951 561750300 /nfs/dbraw/zinc/75/03/00/561750300.db2.gz YIUGYUCTBRGVMO-YADHBBJMSA-N -1 0 513.566 3.073 1 0 KGAFRM CC(C)c1c(C(=O)NCC2CCCCC2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967959 561750473 /nfs/dbraw/zinc/75/04/73/561750473.db2.gz WGQVBDKLKFLECV-RTWAWAEBSA-N -1 0 505.587 3.410 1 0 KGAFRM COCc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014967999 561750448 /nfs/dbraw/zinc/75/04/48/561750448.db2.gz HRMPDLKLCHFEFH-PKTZIBPZSA-N -1 0 543.592 3.177 1 0 KGAFRM CC(C)c1c(C(=O)NCc2ccc(C(=O)N(C)C)cc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974341 561752032 /nfs/dbraw/zinc/75/20/32/561752032.db2.gz NRHMUVWUITXZFM-DNQXCXABSA-N -1 0 568.646 3.286 1 0 KGAFRM CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2O)c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1 ZINC000014974855 561752085 /nfs/dbraw/zinc/75/20/85/561752085.db2.gz FEHNGRLYFHNBSX-UHFFFAOYSA-N -1 0 505.980 3.053 1 0 KGAFRM CC(C)c1nc(N(c2ccon2)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014978013 561752585 /nfs/dbraw/zinc/75/25/85/561752585.db2.gz UWDARGZAWVSXKW-RKQNLGICSA-N -1 0 534.566 3.092 1 0 KGAFRM COC(=O)C1=C([O-])c2cc(OC)c(OC)c(OC)c2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC ZINC000017176704 561754275 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COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000025973351 561763415 /nfs/dbraw/zinc/76/34/15/561763415.db2.gz SIWJICQZURLMCZ-KMDXXIMOSA-N -1 0 558.701 3.281 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1NC1CCCC1 ZINC000025995307 561765056 /nfs/dbraw/zinc/76/50/56/561765056.db2.gz QGANMSAPIGQVQB-WBDNRJBNSA-N -1 0 517.369 3.367 1 0 KGAFRM CCCCNc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000025996064 561765066 /nfs/dbraw/zinc/76/50/66/561765066.db2.gz UIJGLNLFNCUJOR-XCWBOAQFSA-N -1 0 505.358 3.225 1 0 KGAFRM CC[C@@H](C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000025997252 561765213 /nfs/dbraw/zinc/76/52/13/561765213.db2.gz LULBOWHKBZHNPL-IOHQLOAVSA-N -1 0 505.358 3.223 1 0 KGAFRM CC[C@H](C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000025997260 561765220 /nfs/dbraw/zinc/76/52/20/561765220.db2.gz LULBOWHKBZHNPL-OXVOYSCSSA-N -1 0 505.358 3.223 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1NCCC(F)(F)F ZINC000025998659 561765217 /nfs/dbraw/zinc/76/52/17/561765217.db2.gz ZWFFRVLBRVNYPB-SHFFDHQNSA-N -1 0 545.301 3.377 1 0 KGAFRM CCN(CC)c1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000026000889 561765423 /nfs/dbraw/zinc/76/54/23/561765423.db2.gz DQNZNDKDCJZRKQ-INIZCTEOSA-N -1 0 505.358 3.191 1 0 KGAFRM CCCN(C)c1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000026001633 561765415 /nfs/dbraw/zinc/76/54/15/561765415.db2.gz OSNQUPAEVQKVCT-INIZCTEOSA-N -1 0 505.358 3.191 1 0 KGAFRM CC(C)(C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000026002473 561765536 /nfs/dbraw/zinc/76/55/36/561765536.db2.gz DEBNOGITKRDNAL-QXPDGPNTSA-N -1 0 505.358 3.223 1 0 KGAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3ccccc3S(C)(=O)=O)C(=O)[O-])cc2)c1 ZINC000026017147 561766341 /nfs/dbraw/zinc/76/63/41/561766341.db2.gz OAIGFBSQRZQQSH-QFIPXVFZSA-N -1 0 559.666 3.263 1 0 KGAFRM COCCOC(=O)N(C)C1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])CC1 ZINC000026150879 561767660 /nfs/dbraw/zinc/76/76/60/561767660.db2.gz KVUZGLYOUHGFEF-SLXFGWRHSA-N -1 0 534.631 3.367 1 0 KGAFRM CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)c1c[nH]c2ccccc12 ZINC000026182871 561772033 /nfs/dbraw/zinc/77/20/33/561772033.db2.gz IWJBUWXMLZSQJS-CLJLJLNGSA-N -1 0 526.593 3.127 1 0 KGAFRM CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)c1c[nH]c2ccccc12 ZINC000026182874 561772080 /nfs/dbraw/zinc/77/20/80/561772080.db2.gz IWJBUWXMLZSQJS-IZZNHLLZSA-N -1 0 526.593 3.127 1 0 KGAFRM CCCOc1ccc(S(=O)(=O)N2CCC([P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026183783 561772312 /nfs/dbraw/zinc/77/23/12/561772312.db2.gz JMPWZFRVAIEACC-UHFFFAOYSA-N -1 0 581.632 3.440 1 0 KGAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/C[NH2+][C@H](CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)C(=O)[O-] ZINC000026189752 561773326 /nfs/dbraw/zinc/77/33/26/561773326.db2.gz OAWLGGACVXKUQS-UGUVCCSPSA-N -1 0 650.858 3.462 1 0 KGAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/C[NH2+][C@@H](CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)C(=O)[O-] ZINC000026189756 561773274 /nfs/dbraw/zinc/77/32/74/561773274.db2.gz OAWLGGACVXKUQS-BWJGENNKSA-N -1 0 650.858 3.462 1 0 KGAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(COc3c(I)cc(Cl)c4cccnc43)S[C@H]12 ZINC000026249174 561773671 /nfs/dbraw/zinc/77/36/71/561773671.db2.gz IQTNEKZMPJBRIQ-JARFTNTQSA-N -1 0 532.743 3.080 1 0 KGAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H](O)Cc2ccccc2)c(F)c1 ZINC000026257559 561774985 /nfs/dbraw/zinc/77/49/85/561774985.db2.gz OVLXXPRVSJGOGV-DRBLOIPVSA-N -1 0 643.634 3.450 1 0 KGAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@H](O)Cc2ccccc2)c(F)c1 ZINC000026257566 561775133 /nfs/dbraw/zinc/77/51/33/561775133.db2.gz OVLXXPRVSJGOGV-CSZVXOJQSA-N -1 0 643.634 3.450 1 0 KGAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H](O)C2CCCC2)c(F)c1 ZINC000026258516 561775312 /nfs/dbraw/zinc/77/53/12/561775312.db2.gz ASTRIAJTPSIVRW-GIPULPQISA-N -1 0 621.628 3.398 1 0 KGAFRM CCCCc1nn(C[C@@H](OCC(=O)[O-])c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1 ZINC000026266040 561776379 /nfs/dbraw/zinc/77/63/79/561776379.db2.gz PUWFRFYBPKHEID-AREMUKBSSA-N -1 0 555.639 3.219 1 0 KGAFRM CCCCc1nn(C[C@H](OCC(=O)[O-])c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1 ZINC000026266048 561776347 /nfs/dbraw/zinc/77/63/47/561776347.db2.gz PUWFRFYBPKHEID-SANMLTNESA-N -1 0 555.639 3.219 1 0 KGAFRM CC(C)[C@H](O)C(=O)N1C[C@H](OCc2ccc(Br)cc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026270625 561777143 /nfs/dbraw/zinc/77/71/43/561777143.db2.gz UZCNJZNWUNZTNY-ITAOHFDISA-N -1 0 704.512 3.427 1 0 KGAFRM CC(C)[C@H](O)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026271785 561777294 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CCO[P@](=O)([O-])N[C@H](C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC)[C@@H](C)CC ZINC000026651879 561808631 /nfs/dbraw/zinc/80/86/31/561808631.db2.gz SYJDNYDJYYTCSB-NMNUPHIUSA-N -1 0 505.552 3.180 1 0 KGAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026653628 561808863 /nfs/dbraw/zinc/80/88/63/561808863.db2.gz HTCDURIAFZLYLG-MBSDFSHPSA-N -1 0 597.562 3.227 1 0 KGAFRM COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)[C@@H]2c1ccccc1 ZINC000026655539 561809185 /nfs/dbraw/zinc/80/91/85/561809185.db2.gz LSRPAIIWDVLKSE-SEIFXHLTSA-N -1 0 556.549 3.381 1 0 KGAFRM COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)[C@@H]2c1ccccc1 ZINC000026655544 561809277 /nfs/dbraw/zinc/80/92/77/561809277.db2.gz LSRPAIIWDVLKSE-CFRFINDLSA-N -1 0 556.549 3.381 1 0 KGAFRM CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH2+]CC[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000026656307 561809293 /nfs/dbraw/zinc/80/92/93/561809293.db2.gz SYZYBPFCQPDGMW-QKDODKLFSA-N -1 0 630.679 3.092 1 0 KGAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(-c3nc[nH]n3)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026657719 561809815 /nfs/dbraw/zinc/80/98/15/561809815.db2.gz CELGRUOLPJJNJO-CVDCTZTESA-N -1 0 552.440 3.134 1 0 KGAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)[O-] ZINC000026668819 561811849 /nfs/dbraw/zinc/81/18/49/561811849.db2.gz ZUFLKCVDEABOFS-FWEHEUNISA-N -1 0 645.823 3.207 1 0 KGAFRM O=C([O-])C1=C(Cn2cccc3ccnc2-3)CS[C@@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12 ZINC000026670778 561812269 /nfs/dbraw/zinc/81/22/69/561812269.db2.gz LYYPQVMMLWYHDD-XMSQKQJNSA-O -1 0 550.469 3.293 1 0 KGAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1 ZINC000026726240 561815906 /nfs/dbraw/zinc/81/59/06/561815906.db2.gz LVUXYRJNPQQCHU-DTXPUJKBSA-N -1 0 666.687 3.204 1 0 KGAFRM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1)C(=O)[O-] ZINC000026726688 561816066 /nfs/dbraw/zinc/81/60/66/561816066.db2.gz DSKJAUHTSACAIR-QVICYHPESA-N -1 0 632.670 3.007 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cc(=O)c(O)co1 ZINC000026731858 561816750 /nfs/dbraw/zinc/81/67/50/561816750.db2.gz QVVNUFOTYLPXCI-CPCREDONSA-N -1 0 721.723 3.391 1 0 KGAFRM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2 ZINC000026734282 561817183 /nfs/dbraw/zinc/81/71/83/561817183.db2.gz RWBOWRDCKZVMOU-NZQKXSOJSA-N -1 0 544.564 3.422 1 0 KGAFRM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2 ZINC000026734286 561817148 /nfs/dbraw/zinc/81/71/48/561817148.db2.gz RWBOWRDCKZVMOU-REWPJTCUSA-N -1 0 544.564 3.422 1 0 KGAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2 ZINC000026734291 561817195 /nfs/dbraw/zinc/81/71/95/561817195.db2.gz RWBOWRDCKZVMOU-NFBKMPQASA-N -1 0 544.564 3.422 1 0 KGAFRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2 ZINC000026734296 561817168 /nfs/dbraw/zinc/81/71/68/561817168.db2.gz RWBOWRDCKZVMOU-OFNKIYASSA-N -1 0 544.564 3.422 1 0 KGAFRM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1 ZINC000026735935 561817497 /nfs/dbraw/zinc/81/74/97/561817497.db2.gz OORCGJRAVZCRTO-NZQKXSOJSA-N -1 0 501.543 3.088 1 0 KGAFRM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1 ZINC000026735941 561817503 /nfs/dbraw/zinc/81/75/03/561817503.db2.gz OORCGJRAVZCRTO-REWPJTCUSA-N -1 0 501.543 3.088 1 0 KGAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1 ZINC000026735944 561817507 /nfs/dbraw/zinc/81/75/07/561817507.db2.gz OORCGJRAVZCRTO-NFBKMPQASA-N -1 0 501.543 3.088 1 0 KGAFRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1 ZINC000026735949 561817492 /nfs/dbraw/zinc/81/74/92/561817492.db2.gz OORCGJRAVZCRTO-OFNKIYASSA-N -1 0 501.543 3.088 1 0 KGAFRM CCCc1cc(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC(=O)c3ccc(C)[nH]3)[C@H]2O)c(C)c2oc(=O)c(C(=O)[O-])cc12 ZINC000026740999 561818111 /nfs/dbraw/zinc/81/81/11/561818111.db2.gz ZALQTCORZJTHJS-QOTYLPIXSA-N -1 0 529.542 3.114 1 0 KGAFRM COC(=O)Oc1cccc(C(=O)N(CCCn2c(=O)oc3c(OC(=O)OC)cccc3c2=O)[C@@H](C)CCC(=O)[O-])c1OC(=O)OC ZINC000026824928 561821721 /nfs/dbraw/zinc/82/17/21/561821721.db2.gz ISAXSOCXNBNMMU-INIZCTEOSA-N -1 0 646.558 3.176 1 0 KGAFRM COC(=O)Oc1cccc(C(=O)N(CCCn2c(=O)oc3c(OC(=O)OC)cccc3c2=O)[C@H](C)CCC(=O)[O-])c1OC(=O)OC ZINC000026824933 561821759 /nfs/dbraw/zinc/82/17/59/561821759.db2.gz ISAXSOCXNBNMMU-MRXNPFEDSA-N -1 0 646.558 3.176 1 0 KGAFRM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1ccccc1[S-])C(C)C)C(=O)[O-] ZINC000026829541 561822745 /nfs/dbraw/zinc/82/27/45/561822745.db2.gz QAWZUSUYERPCES-FUDKSRODSA-N -1 0 517.717 3.140 1 0 KGAFRM COc1cccc(-c2cn(-c3ccc(CC[N@H+](C)CCO[P@](=O)([O-])CP(=O)([O-])O)cc3)c3ncnc(N)c23)c1 ZINC000026834585 561823812 /nfs/dbraw/zinc/82/38/12/561823812.db2.gz BYIUYOUTTHBEGS-UHFFFAOYSA-N -1 0 575.499 3.490 1 0 KGAFRM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000026937988 561827894 /nfs/dbraw/zinc/82/78/94/561827894.db2.gz RZVVYCITYKTUOC-NXQMDHLFSA-N -1 0 647.607 3.212 1 0 KGAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000026938535 561827789 /nfs/dbraw/zinc/82/77/89/561827789.db2.gz RZVVYCITYKTUOC-HMHJJOSWSA-N -1 0 647.607 3.212 1 0 KGAFRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(CCc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)[O-])N2 ZINC000026943227 561828318 /nfs/dbraw/zinc/82/83/18/561828318.db2.gz SPPYTCHURNFCLV-DEOSSOPVSA-N -1 0 555.591 3.404 1 0 KGAFRM Cc1ccc2nc(CN(C)C(=O)c3ccc4c(c3)CN(Cc3ccccc3)C(=O)[C@H](CC(=O)[O-])N4)[nH]c2n1 ZINC000026956846 561829384 /nfs/dbraw/zinc/82/93/84/561829384.db2.gz XMPXRHABLSILBF-QHCPKHFHSA-N -1 0 512.570 3.336 1 0 KGAFRM CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc([N-]S(=O)(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F ZINC000026972850 561830557 /nfs/dbraw/zinc/83/05/57/561830557.db2.gz ILIXOTURYGTOFM-MRXNPFEDSA-N -1 0 527.443 3.049 1 0 KGAFRM CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc([N-]S(=O)(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F ZINC000026972857 561830597 /nfs/dbraw/zinc/83/05/97/561830597.db2.gz ILIXOTURYGTOFM-INIZCTEOSA-N -1 0 527.443 3.049 1 0 KGAFRM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(=O)N[C@@H](CC(=O)[O-])C(=O)c1nc2ccccc2o1)C1Cc2ccccc2C1 ZINC000026996621 561833419 /nfs/dbraw/zinc/83/34/19/561833419.db2.gz ICSUVLPLFSKXAO-YZNIXAGQSA-N -1 0 610.667 3.421 1 0 KGAFRM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(=O)N[C@H](CC(=O)[O-])C(=O)c1nc2ccccc2o1)C1Cc2ccccc2C1 ZINC000026996627 561833427 /nfs/dbraw/zinc/83/34/27/561833427.db2.gz ICSUVLPLFSKXAO-VIZCGCQYSA-N -1 0 610.667 3.421 1 0 KGAFRM CCCCC1=NC2(CCN(C(=O)[C@@H]([NH3+])CC(=O)[O-])CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027075075 561833990 /nfs/dbraw/zinc/83/39/90/561833990.db2.gz GXGGPGKPZOWIIJ-QHCPKHFHSA-N -1 0 534.613 3.146 1 0 KGAFRM CCCCC1=NC2(CCN(C(=O)[C@H]([NH3+])CC(=O)[O-])CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027075082 561833993 /nfs/dbraw/zinc/83/39/93/561833993.db2.gz GXGGPGKPZOWIIJ-HSZRJFAPSA-N -1 0 534.613 3.146 1 0 KGAFRM C[C@@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000027091952 561837449 /nfs/dbraw/zinc/83/74/49/561837449.db2.gz CGJWVBCGBAONJB-QRQMUESOSA-N -1 0 519.642 3.194 1 0 KGAFRM C[C@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000027091959 561837438 /nfs/dbraw/zinc/83/74/38/561837438.db2.gz CGJWVBCGBAONJB-SAGWHXFDSA-N -1 0 519.642 3.194 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccccc1Cl ZINC000027099111 561838367 /nfs/dbraw/zinc/83/83/67/561838367.db2.gz OPACFFJINGAWIU-HKBOAZHASA-N -1 0 619.106 3.428 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccccc1Cl ZINC000027099118 561838361 /nfs/dbraw/zinc/83/83/61/561838361.db2.gz OPACFFJINGAWIU-ACRUOGEOSA-N -1 0 619.106 3.428 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccccc1Cl ZINC000027099124 561838346 /nfs/dbraw/zinc/83/83/46/561838346.db2.gz OPACFFJINGAWIU-QHAWAJNXSA-N -1 0 619.106 3.428 1 0 KGAFRM CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccccc1Cl ZINC000027099130 561838378 /nfs/dbraw/zinc/83/83/78/561838378.db2.gz OPACFFJINGAWIU-PCCBWWKXSA-N -1 0 619.106 3.428 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc(F)c1F ZINC000027110206 561841517 /nfs/dbraw/zinc/84/15/17/561841517.db2.gz JDWGXXZYQDTPJR-DCFHFQCYSA-N -1 0 542.535 3.245 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc(F)c1 ZINC000027181390 561841887 /nfs/dbraw/zinc/84/18/87/561841887.db2.gz ABWXALYDODJNBX-CUNXSJBXSA-N -1 0 524.545 3.106 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(F)ccc1F ZINC000027181650 561841909 /nfs/dbraw/zinc/84/19/09/561841909.db2.gz TXLBOCACZQANRO-IDISGSTGSA-N -1 0 542.535 3.245 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(F)cc(F)c1 ZINC000027181848 561841894 /nfs/dbraw/zinc/84/18/94/561841894.db2.gz ZFNWKOQSIPAZRW-CUNXSJBXSA-N -1 0 542.535 3.245 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(F)cc1F ZINC000027182118 561841862 /nfs/dbraw/zinc/84/18/62/561841862.db2.gz SRXHYXCLXLIPKH-IDISGSTGSA-N -1 0 542.535 3.245 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(F)cc(F)c1F ZINC000027184039 561842083 /nfs/dbraw/zinc/84/20/83/561842083.db2.gz MXAXOGCXUDHSDF-DCFHFQCYSA-N -1 0 560.525 3.384 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(F)c(F)c1F ZINC000027185639 561842543 /nfs/dbraw/zinc/84/25/43/561842543.db2.gz BVYLOBFDICXQHB-PPHZAIPVSA-N -1 0 560.525 3.384 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)ccc(F)c1F ZINC000027185646 561842548 /nfs/dbraw/zinc/84/25/48/561842548.db2.gz PXCONPSREFMFGA-FNZWTVRRSA-N -1 0 560.525 3.384 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)cc(F)cc1F ZINC000027186433 561842672 /nfs/dbraw/zinc/84/26/72/561842672.db2.gz SSQDLKGUIOHYTP-LVXARBLLSA-N -1 0 560.525 3.384 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)cccc1F ZINC000027186534 561842660 /nfs/dbraw/zinc/84/26/60/561842660.db2.gz OQUNUGPLGLAUPI-LVXARBLLSA-N -1 0 542.535 3.245 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1F ZINC000027190224 561843364 /nfs/dbraw/zinc/84/33/64/561843364.db2.gz FCVYZKFUXXMMQU-IDISGSTGSA-N 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/nfs/dbraw/zinc/86/85/36/561868536.db2.gz FORFDJKYIXRELO-ABQRKTDGSA-N -1 0 546.624 3.462 1 0 KGAFRM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(C(=O)[O-])c2)c(I)c1)C(=O)[O-] ZINC000027620017 561872387 /nfs/dbraw/zinc/87/23/87/561872387.db2.gz NEQNNMIRPRDTGX-LBPRGKRZSA-N -1 0 569.089 3.046 1 0 KGAFRM [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(C(=O)[O-])c2)c(I)c1)C(=O)[O-] ZINC000027620023 561872377 /nfs/dbraw/zinc/87/23/77/561872377.db2.gz NEQNNMIRPRDTGX-GFCCVEGCSA-N -1 0 569.089 3.046 1 0 KGAFRM COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)C[N-]C(=O)C(F)(F)F)CC2 ZINC000027624090 561872898 /nfs/dbraw/zinc/87/28/98/561872898.db2.gz WEPLQYDVWAVBRX-HNNXBMFYSA-N -1 0 526.533 3.244 1 0 KGAFRM CO[C@@]12CCCC[C@]1(OC)O[C@@H]1[C@@H](OCc3ccccc3)[C@H](OCC(=O)[O-])O[C@@H](COCC(C)C)[C@@H]1O2 ZINC000027637080 561874664 /nfs/dbraw/zinc/87/46/64/561874664.db2.gz QEHUKKQTQIYBMJ-CMDQHZQESA-N -1 0 524.607 3.114 1 0 KGAFRM CO[C@@]12CCCC[C@]1(OC)O[C@@H]1[C@@H](OCc3ccccc3)[C@H](OCC(=O)[O-])O[C@@H](COCC(C)C)[C@H]1O2 ZINC000027637085 561874667 /nfs/dbraw/zinc/87/46/67/561874667.db2.gz QEHUKKQTQIYBMJ-OYZXCHQLSA-N -1 0 524.607 3.114 1 0 KGAFRM O=C([O-])C[C@H](NC(=O)CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1=O)c1cnc2ccccc2c1 ZINC000027641598 561875453 /nfs/dbraw/zinc/87/54/53/561875453.db2.gz LEEJTINVSSJMDG-DVECYGJZSA-N -1 0 501.587 3.101 1 0 KGAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000027644073 561875501 /nfs/dbraw/zinc/87/55/01/561875501.db2.gz WKSGBJHELSKLHB-HRNNMHKYSA-N -1 0 592.649 3.060 1 0 KGAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CN(C)C(=O)c2ccc3c(cnn3CCCNc3ccccn3)c2)C(=O)[O-])c(C)c1 ZINC000027645731 561875781 /nfs/dbraw/zinc/87/57/81/561875781.db2.gz PTYSBCUQKADVEM-DEOSSOPVSA-N -1 0 578.695 3.362 1 0 KGAFRM CCOC(=O)C1=C(COCCNc2n[nH]c(=O)[n-]2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027652423 561876833 /nfs/dbraw/zinc/87/68/33/561876833.db2.gz KWUWBNSVYMXREC-TXCMAPRMSA-N -1 0 526.377 3.325 1 0 KGAFRM CCOC(=O)C1=C(COCCNc2n[nH]c(=O)[n-]2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027652427 561876818 /nfs/dbraw/zinc/87/68/18/561876818.db2.gz KWUWBNSVYMXREC-HNOLQLOCSA-N -1 0 526.377 3.325 1 0 KGAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(cnn3CCCNc3ccccn3)c2)C(=O)[O-])c(C)c1 ZINC000027657244 561878074 /nfs/dbraw/zinc/87/80/74/561878074.db2.gz BDSVWPXYUWYWIQ-QHCPKHFHSA-N -1 0 564.668 3.020 1 0 KGAFRM Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCCC(=O)[O-])C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027657952 561878261 /nfs/dbraw/zinc/87/82/61/561878261.db2.gz FZZCILLULGPRLZ-FRJUPVQCSA-N -1 0 726.893 3.287 1 0 KGAFRM CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H](CCO)C(=O)[O-])O1 ZINC000027708321 561879180 /nfs/dbraw/zinc/87/91/80/561879180.db2.gz ZPJYUPAWELQATJ-UBMIFXKHSA-N -1 0 528.614 3.332 1 0 KGAFRM CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H](CCO)C(=O)[O-])O1 ZINC000027708328 561879170 /nfs/dbraw/zinc/87/91/70/561879170.db2.gz ZPJYUPAWELQATJ-XQPPWWEHSA-N -1 0 528.614 3.332 1 0 KGAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027712060 561879780 /nfs/dbraw/zinc/87/97/80/561879780.db2.gz WHAMHFBSIWLDIJ-RXVVDRJESA-N -1 0 501.388 3.054 1 0 KGAFRM COc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000027712421 561879941 /nfs/dbraw/zinc/87/99/41/561879941.db2.gz RXOAYEHOAAHUMM-UGKGYDQZSA-N -1 0 515.415 3.357 1 0 KGAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027717772 561880254 /nfs/dbraw/zinc/88/02/54/561880254.db2.gz JQZNUGKWTQHGEY-RXVVDRJESA-N -1 0 503.379 3.488 1 0 KGAFRM C[C@@]1(C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027717788 561880231 /nfs/dbraw/zinc/88/02/31/561880231.db2.gz JPDURLRTQZCKKD-RXVVDRJESA-N -1 0 503.379 3.488 1 0 KGAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccccc2F)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027726013 561881036 /nfs/dbraw/zinc/88/10/36/561881036.db2.gz YZZMJHSHQYXEFZ-RXVVDRJESA-N -1 0 503.379 3.488 1 0 KGAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1Cc2cc3ccccc3cc2C1=O)C(=O)[O-] ZINC000027733824 561881562 /nfs/dbraw/zinc/88/15/62/561881562.db2.gz WKFUXNDEVSIEGA-PKTNWEFCSA-N -1 0 558.679 3.117 1 0 KGAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN(c3ccc4ccccc4c3)S(=O)(=O)c3ccccc3)[C@H](C)[C@H]12 ZINC000027740101 561882359 /nfs/dbraw/zinc/88/23/59/561882359.db2.gz RXDQNJMPSDCZSF-SMGXNKOPSA-N -1 0 506.580 3.231 1 0 KGAFRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN(c3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)[C@H]12 ZINC000027741149 561882513 /nfs/dbraw/zinc/88/25/13/561882513.db2.gz HXZSXHMWVCCDAS-SMGXNKOPSA-N -1 0 506.580 3.231 1 0 KGAFRM CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000027744128 561882823 /nfs/dbraw/zinc/88/28/23/561882823.db2.gz DMYQQPUOQMOFJU-RPBOFIJWSA-N -1 0 545.592 3.298 1 0 KGAFRM CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000027745271 561882933 /nfs/dbraw/zinc/88/29/33/561882933.db2.gz VAUMRIIUBCMOSB-BVZFJXPGSA-N -1 0 559.600 3.347 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])CC(F)F ZINC000027749740 561883265 /nfs/dbraw/zinc/88/32/65/561883265.db2.gz DZERJEVGAUXAKW-ONZODILHSA-N -1 0 513.582 3.473 1 0 KGAFRM O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12 ZINC000027760258 561883966 /nfs/dbraw/zinc/88/39/66/561883966.db2.gz GPHAFXZAUZEZOR-QFBILLFUSA-N -1 0 503.652 3.431 1 0 KGAFRM O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12 ZINC000027760265 561883976 /nfs/dbraw/zinc/88/39/76/561883976.db2.gz GPHAFXZAUZEZOR-LPHOPBHVSA-N -1 0 503.652 3.431 1 0 KGAFRM O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12 ZINC000027760271 561883947 /nfs/dbraw/zinc/88/39/47/561883947.db2.gz GPHAFXZAUZEZOR-VQIMIIECSA-N -1 0 503.652 3.431 1 0 KGAFRM O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12 ZINC000027760278 561883968 /nfs/dbraw/zinc/88/39/68/561883968.db2.gz GPHAFXZAUZEZOR-APWZRJJASA-N -1 0 503.652 3.431 1 0 KGAFRM CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)[O-])NC(=O)NCc1ccccc1 ZINC000027861979 561887114 /nfs/dbraw/zinc/88/71/14/561887114.db2.gz MXWOGCNBRODQON-NGDRWEMDSA-N -1 0 692.814 3.063 1 0 KGAFRM CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1ccccc1 ZINC000027867157 561887868 /nfs/dbraw/zinc/88/78/68/561887868.db2.gz SSPNCKHREPFWME-AYQJTBPPSA-N -1 0 691.826 3.312 1 0 KGAFRM CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000027867164 561887821 /nfs/dbraw/zinc/88/78/21/561887821.db2.gz MHGLIIKLKDVRLO-NGDRWEMDSA-N -1 0 693.798 3.490 1 0 KGAFRM CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000027876569 561888665 /nfs/dbraw/zinc/88/86/65/561888665.db2.gz OGATVNIGZXFFCD-FDFHNCONSA-N -1 0 508.508 3.091 1 0 KGAFRM CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000027877796 561888766 /nfs/dbraw/zinc/88/87/66/561888766.db2.gz YPGYLYVEQCBUTM-XPWALMASSA-N -1 0 506.536 3.407 1 0 KGAFRM Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCC(=O)[O-])[n+]1CCO ZINC000027881363 561889176 /nfs/dbraw/zinc/88/91/76/561889176.db2.gz KFRIHVNXKALLPP-ZEQKJWHPSA-O -1 0 673.642 3.222 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)[O-] ZINC000027903853 561891311 /nfs/dbraw/zinc/89/13/11/561891311.db2.gz ZRFQYRWSJDQKRT-BYZIZWJUSA-N -1 0 653.821 3.303 1 0 KGAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)[O-] ZINC000027903860 561891358 /nfs/dbraw/zinc/89/13/58/561891358.db2.gz ZRFQYRWSJDQKRT-SFUUDZQWSA-N -1 0 653.821 3.303 1 0 KGAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1 ZINC000027989012 561892652 /nfs/dbraw/zinc/89/26/52/561892652.db2.gz OPJBDVVJACDHPY-RBISFHTESA-N -1 0 539.606 3.116 1 0 KGAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1 ZINC000027989020 561892703 /nfs/dbraw/zinc/89/27/03/561892703.db2.gz OPJBDVVJACDHPY-DWACAAAGSA-N -1 0 539.606 3.116 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCS(=O)CC2)C(=O)[O-])cc1 ZINC000027989410 561892815 /nfs/dbraw/zinc/89/28/15/561892815.db2.gz TXTKZSBIOMEMHC-UGUNWOKGSA-N -1 0 555.674 3.229 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3)CCCN(C)C2)C(=O)[O-])cc1 ZINC000027991295 561893068 /nfs/dbraw/zinc/89/30/68/561893068.db2.gz FKEVPOLPQDCFDG-ABYGYWHVSA-N -1 0 536.650 3.412 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCCN(C)C2)C(=O)[O-])cc1 ZINC000027991301 561893092 /nfs/dbraw/zinc/89/30/92/561893092.db2.gz FKEVPOLPQDCFDG-SVEHJYQDSA-N -1 0 536.650 3.412 1 0 KGAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCN(C)CC2)C(=O)[O-])cc1 ZINC000027995362 561893736 /nfs/dbraw/zinc/89/37/36/561893736.db2.gz ILKTTWKSRXZSRE-VWLOTQADSA-N -1 0 536.650 3.412 1 0 KGAFRM CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000027999439 561894387 /nfs/dbraw/zinc/89/43/87/561894387.db2.gz NZIAQNWQWOCPMT-HRNNMHKYSA-N -1 0 532.641 3.044 1 0 KGAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCN(C)CC2)C(=O)[O-])cc1 ZINC000027999972 561894501 /nfs/dbraw/zinc/89/45/01/561894501.db2.gz WPKLWLSFNMQEKC-DEOSSOPVSA-N -1 0 566.676 3.421 1 0 KGAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCC(=O)[O-] ZINC000028000907 561894719 /nfs/dbraw/zinc/89/47/19/561894719.db2.gz CSFPMIPVKVIPJG-BJKOFHAPSA-N -1 0 541.693 3.187 1 0 KGAFRM CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028002253 561894981 /nfs/dbraw/zinc/89/49/81/561894981.db2.gz FDCOCMQCSJDOLN-KCHLEUMXSA-N -1 0 698.745 3.249 1 0 KGAFRM CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028002259 561894964 /nfs/dbraw/zinc/89/49/64/561894964.db2.gz FDCOCMQCSJDOLN-PKTNWEFCSA-N -1 0 698.745 3.249 1 0 KGAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NC(C)(C)C(=O)[O-] ZINC000028004145 561895239 /nfs/dbraw/zinc/89/52/39/561895239.db2.gz PNIOOYSMYALOCP-XZOQPEGZSA-N -1 0 541.693 3.185 1 0 KGAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028005069 561895379 /nfs/dbraw/zinc/89/53/79/561895379.db2.gz CFADQZMIUQTSPC-FWEHEUNISA-N -1 0 686.753 3.271 1 0 KGAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028005074 561895289 /nfs/dbraw/zinc/89/52/89/561895289.db2.gz CFADQZMIUQTSPC-WKAQUBQDSA-N -1 0 686.753 3.271 1 0 KGAFRM CCS(=O)(=O)NCCOc1nc(-c2ccncc2)nc([N-]S(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC ZINC000028008404 561895952 /nfs/dbraw/zinc/89/59/52/561895952.db2.gz KPQBEJDBDRNENR-UHFFFAOYSA-N -1 0 600.679 3.162 1 0 KGAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000028011605 561896502 /nfs/dbraw/zinc/89/65/02/561896502.db2.gz CFADQZMIUQTSPC-XUJYPJAKSA-N -1 0 686.753 3.271 1 0 KGAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000028011611 561896497 /nfs/dbraw/zinc/89/64/97/561896497.db2.gz CFADQZMIUQTSPC-XDZXDJIYSA-N -1 0 686.753 3.271 1 0 KGAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015128 561897175 /nfs/dbraw/zinc/89/71/75/561897175.db2.gz ZZYNRUGWAYMLDW-UIOOFZCWSA-N -1 0 582.613 3.164 1 0 KGAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015133 561897150 /nfs/dbraw/zinc/89/71/50/561897150.db2.gz ZZYNRUGWAYMLDW-IZZNHLLZSA-N -1 0 582.613 3.164 1 0 KGAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015137 561897118 /nfs/dbraw/zinc/89/71/18/561897118.db2.gz ZZYNRUGWAYMLDW-FTJBHMTQSA-N -1 0 582.613 3.164 1 0 KGAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015141 561897132 /nfs/dbraw/zinc/89/71/32/561897132.db2.gz ZZYNRUGWAYMLDW-CLJLJLNGSA-N -1 0 582.613 3.164 1 0 KGAFRM CCCCCC(=O)NCC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015795 561897267 /nfs/dbraw/zinc/89/72/67/561897267.db2.gz TWDXDBXTMJQLRD-JWQCQUIFSA-N -1 0 576.650 3.430 1 0 KGAFRM CCCCCC(=O)NCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015800 561897256 /nfs/dbraw/zinc/89/72/56/561897256.db2.gz TWDXDBXTMJQLRD-LOSJGSFVSA-N -1 0 576.650 3.430 1 0 KGAFRM CCCCCC(=O)NCC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015805 561897289 /nfs/dbraw/zinc/89/72/89/561897289.db2.gz TWDXDBXTMJQLRD-RPBOFIJWSA-N -1 0 576.650 3.430 1 0 KGAFRM CCCCCC(=O)NCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028015810 561897271 /nfs/dbraw/zinc/89/72/71/561897271.db2.gz TWDXDBXTMJQLRD-DQEYMECFSA-N -1 0 576.650 3.430 1 0 KGAFRM CCOC(=O)C1CCN(CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1 ZINC000028017905 561897730 /nfs/dbraw/zinc/89/77/30/561897730.db2.gz NYMDUNGZNSTSRO-KAYWLYCHSA-N -1 0 618.687 3.009 1 0 KGAFRM CCOC(=O)C1CCN(CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1 ZINC000028017910 561897709 /nfs/dbraw/zinc/89/77/09/561897709.db2.gz NYMDUNGZNSTSRO-RRPNLBNLSA-N -1 0 618.687 3.009 1 0 KGAFRM CCOC(=O)C1CCN(CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1 ZINC000028017914 561897739 /nfs/dbraw/zinc/89/77/39/561897739.db2.gz NYMDUNGZNSTSRO-SXOMAYOGSA-N -1 0 618.687 3.009 1 0 KGAFRM CCOC(=O)C1CCN(CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1 ZINC000028017918 561897741 /nfs/dbraw/zinc/89/77/41/561897741.db2.gz NYMDUNGZNSTSRO-SVBPBHIXSA-N -1 0 618.687 3.009 1 0 KGAFRM CCCS(=O)(=O)NCCOc1nc(N2CCOCC2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC ZINC000028018631 561897960 /nfs/dbraw/zinc/89/79/60/561897960.db2.gz RQNOIZBVICJIJP-UHFFFAOYSA-N -1 0 650.780 3.142 1 0 KGAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000028020037 561898223 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COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(N2CCOCC2)nc1OCCNS(=O)(=O)c1cccs1 ZINC000028088505 561899516 /nfs/dbraw/zinc/89/95/16/561899516.db2.gz JGEXEIBPRHWMSL-UHFFFAOYSA-N -1 0 662.772 3.037 1 0 KGAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCC(O)CC2)nc1C(=O)[O-] ZINC000028096339 561900885 /nfs/dbraw/zinc/90/08/85/561900885.db2.gz OIRFLUFRRLMDFN-PHFCHIBXSA-N -1 0 552.676 3.325 1 0 KGAFRM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000028097776 561901100 /nfs/dbraw/zinc/90/11/00/561901100.db2.gz MTEYIGBTTNVDSH-UPRLRBBYSA-N -1 0 587.673 3.436 1 0 KGAFRM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000028097782 561901082 /nfs/dbraw/zinc/90/10/82/561901082.db2.gz MTEYIGBTTNVDSH-HZFUHODCSA-N -1 0 587.673 3.436 1 0 KGAFRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000028099199 561901218 /nfs/dbraw/zinc/90/12/18/561901218.db2.gz RGGBJXQQHOWVSH-ZWKOTPCHSA-N -1 0 511.383 3.246 1 0 KGAFRM CCCS(=O)(=O)NCCOc1nc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC ZINC000028099315 561901255 /nfs/dbraw/zinc/90/12/55/561901255.db2.gz JTNMQFVZMZRTQJ-UHFFFAOYSA-N -1 0 577.685 3.367 1 0 KGAFRM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028102133 561901822 /nfs/dbraw/zinc/90/18/22/561901822.db2.gz MTEYIGBTTNVDSH-IARZGTGTSA-N -1 0 587.673 3.436 1 0 KGAFRM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028102139 561901778 /nfs/dbraw/zinc/90/17/78/561901778.db2.gz MTEYIGBTTNVDSH-KCHLEUMXSA-N -1 0 587.673 3.436 1 0 KGAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nccc(C(F)(F)F)n1 ZINC000028103208 561901963 /nfs/dbraw/zinc/90/19/63/561901963.db2.gz NFFYGTMOTZXPRL-UUOWRZLLSA-N -1 0 592.596 3.489 1 0 KGAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028107332 561902436 /nfs/dbraw/zinc/90/24/36/561902436.db2.gz XICFXUPHXZNGBI-DQEYMECFSA-N -1 0 546.624 3.219 1 0 KGAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028107339 561902474 /nfs/dbraw/zinc/90/24/74/561902474.db2.gz XICFXUPHXZNGBI-LOSJGSFVSA-N -1 0 546.624 3.219 1 0 KGAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028107346 561902411 /nfs/dbraw/zinc/90/24/11/561902411.db2.gz XICFXUPHXZNGBI-RPBOFIJWSA-N -1 0 546.624 3.219 1 0 KGAFRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028107352 561902425 /nfs/dbraw/zinc/90/24/25/561902425.db2.gz XICFXUPHXZNGBI-JWQCQUIFSA-N -1 0 546.624 3.219 1 0 KGAFRM Cc1cc(C)nc(SCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)COc2cccc3ccccc32)C(C)C)n1 ZINC000028109299 561902903 /nfs/dbraw/zinc/90/29/03/561902903.db2.gz LJIXHJFWLUMTMX-LVXARBLLSA-N -1 0 552.653 3.087 1 0 KGAFRM 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C[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028763226 561958712 /nfs/dbraw/zinc/95/87/12/561958712.db2.gz NKCRXBQSQKCSRJ-CLOONOSVSA-N -1 0 541.560 3.422 1 0 KGAFRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028763228 561958674 /nfs/dbraw/zinc/95/86/74/561958674.db2.gz DTLRGZQUTMTPDW-DFBJGRDBSA-N -1 0 541.560 3.422 1 0 KGAFRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028763230 561958641 /nfs/dbraw/zinc/95/86/41/561958641.db2.gz DTLRGZQUTMTPDW-CLOONOSVSA-N -1 0 541.560 3.422 1 0 KGAFRM Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028763568 561958809 /nfs/dbraw/zinc/95/88/09/561958809.db2.gz WWTMIGWBZIKXGS-VWLOTQADSA-N -1 0 541.560 3.170 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763581 561958778 /nfs/dbraw/zinc/95/87/78/561958778.db2.gz ZPWKVMAYCMIMPO-JQPUVWCXSA-N -1 0 683.847 3.168 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763585 561958785 /nfs/dbraw/zinc/95/87/85/561958785.db2.gz ZPWKVMAYCMIMPO-HCZVRZFPSA-N -1 0 683.847 3.168 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763759 561958790 /nfs/dbraw/zinc/95/87/90/561958790.db2.gz YLZJDTWDUXGNGQ-JQPUVWCXSA-N -1 0 667.848 3.332 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763763 561958806 /nfs/dbraw/zinc/95/88/06/561958806.db2.gz YLZJDTWDUXGNGQ-HCZVRZFPSA-N -1 0 667.848 3.332 1 0 KGAFRM Cc1ccc(NC(=O)c2cccc3ccccc32)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028763874 561958946 /nfs/dbraw/zinc/95/89/46/561958946.db2.gz KESVLBIQXROIKT-VWLOTQADSA-N -1 0 541.560 3.170 1 0 KGAFRM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764038 561958928 /nfs/dbraw/zinc/95/89/28/561958928.db2.gz MFMCGQNQIVGFRU-ZEZDXWPOSA-N -1 0 573.646 3.193 1 0 KGAFRM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764040 561958857 /nfs/dbraw/zinc/95/88/57/561958857.db2.gz MFMCGQNQIVGFRU-ALTZYDRJSA-N -1 0 573.646 3.193 1 0 KGAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C ZINC000028764269 581097575 /nfs/dbraw/zinc/09/75/75/581097575.db2.gz PSWWSKOMFPZUDY-LURZDMEYSA-N -1 0 590.758 3.337 1 0 KGAFRM CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C ZINC000028764270 561959041 /nfs/dbraw/zinc/95/90/41/561959041.db2.gz PSWWSKOMFPZUDY-SCLBOMKCSA-N -1 0 590.758 3.337 1 0 KGAFRM 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590.758 3.337 1 0 KGAFRM CCCCn1c(=O)n(CCOc2ccc(C(=O)[O-])cc2)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O ZINC000036310641 562054964 /nfs/dbraw/zinc/05/49/64/562054964.db2.gz HATCXGQFRSVOMP-UHFFFAOYSA-N -1 0 515.566 3.387 1 0 KGAFRM CCn1c(=O)n(C/C=C/COc2ccc(C(=O)[O-])cc2)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O ZINC000036310654 562055006 /nfs/dbraw/zinc/05/50/06/562055006.db2.gz KRYRYQRKHMRVEY-MDZDMXLPSA-N -1 0 513.550 3.163 1 0 KGAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000036310712 562055000 /nfs/dbraw/zinc/05/50/00/562055000.db2.gz FORCEXNNBSDSEI-NFGXINMFSA-N -1 0 566.614 3.473 1 0 KGAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000036310714 562055036 /nfs/dbraw/zinc/05/50/36/562055036.db2.gz FORCEXNNBSDSEI-LGTXBLIGSA-N -1 0 566.614 3.473 1 0 KGAFRM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036330735 562055932 /nfs/dbraw/zinc/05/59/32/562055932.db2.gz YREHJIJTACGDHN-GOTSBHOMSA-N -1 0 534.723 3.229 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000036330751 562055921 /nfs/dbraw/zinc/05/59/21/562055921.db2.gz FSRYIHNQMJZZLI-SVBPBHIXSA-N -1 0 566.699 3.424 1 0 KGAFRM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036330754 562055934 /nfs/dbraw/zinc/05/59/34/562055934.db2.gz IISMMMUDJAXNCM-UPVQGACJSA-N -1 0 502.656 3.132 1 0 KGAFRM CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)C(=C([O-])c2ccc3c(ccn3C)c2)NC1=O ZINC000036350339 562058112 /nfs/dbraw/zinc/05/81/12/562058112.db2.gz XDKIIJAVVREZPB-SEEOCOAYSA-N -1 0 621.779 3.186 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C(=O)Cc1ccccc1)[C@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1 ZINC000036774638 562061621 /nfs/dbraw/zinc/06/16/21/562061621.db2.gz WVFVYHKXJBDHSE-KJMBSTGJSA-N -1 0 668.832 3.003 1 0 KGAFRM C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1 ZINC000038141718 562063396 /nfs/dbraw/zinc/06/33/96/562063396.db2.gz TWQWRHIQRAZHPR-ITFDYIOBSA-N -1 0 576.639 3.007 1 0 KGAFRM O=C([O-])CC1CCN(C(=O)OC2([C@H]3COC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000038218443 562070490 /nfs/dbraw/zinc/07/04/90/562070490.db2.gz JVHXATHOUXUFRN-LEWJYISDSA-N -1 0 527.039 3.364 1 0 KGAFRM Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(CNc2nc3ccccc3[nH]2)CC1 ZINC000038357622 562070925 /nfs/dbraw/zinc/07/09/25/562070925.db2.gz DTNKZZXZAPCYPT-DEOSSOPVSA-N -1 0 559.627 3.136 1 0 KGAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)NC(C)(C)C)CC3)s2)cc1 ZINC000040395266 562074500 /nfs/dbraw/zinc/07/45/00/562074500.db2.gz SLNHKZUUBJBCKF-HXUWFJFHSA-N -1 0 509.650 3.375 1 0 KGAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1 ZINC000040395339 562074490 /nfs/dbraw/zinc/07/44/90/562074490.db2.gz RTLFSPXRTHASTA-LJQANCHMSA-N -1 0 511.622 3.197 1 0 KGAFRM CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000040514545 562077577 /nfs/dbraw/zinc/07/75/77/562077577.db2.gz OGATVNIGZXFFCD-FKBYEOEOSA-N -1 0 508.508 3.091 1 0 KGAFRM CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000040514761 562077615 /nfs/dbraw/zinc/07/76/15/562077615.db2.gz YPGYLYVEQCBUTM-VJBWXMMDSA-N -1 0 506.536 3.407 1 0 KGAFRM CCCN(C(=O)[C@@H](CC(=O)[O-])C(=O)[O-])C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(C(N)=[NH2+])cc2)C1=O ZINC000040592599 562078388 /nfs/dbraw/zinc/07/83/88/562078388.db2.gz JBDGQWLVCASPKI-FGZHOGPDSA-N -1 0 520.586 3.132 1 0 KGAFRM O=C([O-])CCNC(=O)CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000040862379 562080831 /nfs/dbraw/zinc/08/08/31/562080831.db2.gz PTXPSQOEAUMHFJ-UHFFFAOYSA-N -1 0 509.795 3.307 1 0 KGAFRM COC(=O)[C@]1(Cc2ccc(OS(=O)(=O)[O-])c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1 ZINC000040866018 562081337 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562085955 /nfs/dbraw/zinc/08/59/55/562085955.db2.gz JOGPAHVMRGIBSE-LJQANCHMSA-N -1 0 508.902 3.434 1 0 KGAFRM CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000040950855 562085961 /nfs/dbraw/zinc/08/59/61/562085961.db2.gz JOGPAHVMRGIBSE-IBGZPJMESA-N -1 0 508.902 3.434 1 0 KGAFRM O=C([N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)NC1CCCCC1 ZINC000040952155 562086164 /nfs/dbraw/zinc/08/61/64/562086164.db2.gz LOICCZOEFBEJCZ-UHFFFAOYSA-N -1 0 500.042 3.182 1 0 KGAFRM CC1CCC(NC(=O)[N-]S(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000040952272 562086146 /nfs/dbraw/zinc/08/61/46/562086146.db2.gz XNEJDUZOOSUHOB-UHFFFAOYSA-N -1 0 514.069 3.428 1 0 KGAFRM CN1CCc2nc(C(=O)N[C@@H]3CC[C@@H](C(=O)[O-])C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000040952817 562086321 /nfs/dbraw/zinc/08/63/21/562086321.db2.gz YYXRTQKTSABROA-NJAPINKUSA-N -1 0 516.023 3.047 1 0 KGAFRM CCN(CC)C(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)s2)C(=O)[O-])CC1 ZINC000040956871 562086770 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O=C([O-])c1scc2[nH]c(=O)n(-c3cc(S(=O)(=O)N4CCCc5ccccc54)ccc3Cl)c(=O)c21 ZINC000043152961 562646461 /nfs/dbraw/zinc/64/64/61/562646461.db2.gz OAPXLIYGMXPBRL-UHFFFAOYSA-N -1 0 517.972 3.234 1 0 KGAFRM COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)cc1OCc1c(F)c(F)ccc1OC ZINC000043152963 562646441 /nfs/dbraw/zinc/64/64/41/562646441.db2.gz BMAAMIIYNNPHAB-UHFFFAOYSA-N -1 0 508.430 3.452 1 0 KGAFRM COCCOc1ccc(F)c(F)c1COc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)c1 ZINC000043152964 562646458 /nfs/dbraw/zinc/64/64/58/562646458.db2.gz VBCUMMKWZIJEND-UHFFFAOYSA-N -1 0 522.457 3.460 1 0 KGAFRM COc1ccc(S(=O)(=O)[O-])cc1[C@]1(C2CCN(Cc3ccc(Br)cc3)CC2)CCC(=O)NC1=O ZINC000043172459 562646606 /nfs/dbraw/zinc/64/66/06/562646606.db2.gz OAMHMUWIKBFYCK-XMMPIXPASA-N -1 0 551.459 3.291 1 0 KGAFRM COc1ccc(S(=O)(=O)[O-])cc1[C@@]1(C2CCN(Cc3ccc(Br)cc3)CC2)CCC(=O)NC1=O ZINC000043172461 562646598 /nfs/dbraw/zinc/64/65/98/562646598.db2.gz OAMHMUWIKBFYCK-DEOSSOPVSA-N -1 0 551.459 3.291 1 0 KGAFRM 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KFLFJLQBRYIZNR-ZOHBHSSYSA-N -1 0 560.657 3.052 1 0 KGAFRM CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000058525357 562698632 /nfs/dbraw/zinc/69/86/32/562698632.db2.gz OGATVNIGZXFFCD-BHIFYINESA-N -1 0 508.508 3.091 1 0 KGAFRM CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000058525388 562698634 /nfs/dbraw/zinc/69/86/34/562698634.db2.gz YPGYLYVEQCBUTM-DNVJHFABSA-N -1 0 506.536 3.407 1 0 KGAFRM CC(C)C[C@H](N[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@H](C)C(=O)[O-] ZINC000058525468 562698645 /nfs/dbraw/zinc/69/86/45/562698645.db2.gz IBIVKJSACNCNGT-MSYGRNIXSA-N -1 0 521.551 3.052 1 0 KGAFRM Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000058534077 562698674 /nfs/dbraw/zinc/69/86/74/562698674.db2.gz BDTUWFFDGNBVTD-HVCNVCAESA-N -1 0 611.692 3.225 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccncc2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000058580965 562699712 /nfs/dbraw/zinc/69/97/12/562699712.db2.gz OXXJGCNNXJQHSX-UPRLRBBYSA-N -1 0 580.597 3.493 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccccn2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000058580967 562699716 /nfs/dbraw/zinc/69/97/16/562699716.db2.gz WLZALXYANHGXRL-UPRLRBBYSA-N -1 0 580.597 3.493 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cccnc2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000058580970 562699732 /nfs/dbraw/zinc/69/97/32/562699732.db2.gz OACJDCOQTKWUGU-UPRLRBBYSA-N -1 0 580.597 3.493 1 0 KGAFRM O=C([O-])C1=C(/C=C/CNS(=O)(=O)c2ccccc2)CS[C@@H]2[C@H](NC(=O)CSc3ccc4ccccc4c3)C(=O)N12 ZINC000058581569 562699797 /nfs/dbraw/zinc/69/97/97/562699797.db2.gz CJRIMHOFYLPXOM-PNXPKCJESA-N -1 0 595.724 3.205 1 0 KGAFRM CC(=O)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)[O-] ZINC000058582001 562699928 /nfs/dbraw/zinc/69/99/28/562699928.db2.gz LFNWSXGKAAHEMT-KRWDZBQOSA-N -1 0 512.777 3.164 1 0 KGAFRM O=C1OCCCN1c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000058582579 562699945 /nfs/dbraw/zinc/69/99/45/562699945.db2.gz WWFFMRLAZZWKBK-UHFFFAOYSA-N -1 0 537.573 3.437 1 0 KGAFRM CCCN[C@H]1COCCN1c1nc([N-]c2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)nc(N2CCOC[C@H]2NCCC)n1 ZINC000058582785 562699998 /nfs/dbraw/zinc/69/99/98/562699998.db2.gz SHUDAVMAAAQQNV-PLQXJYEYSA-N -1 0 640.815 3.136 1 0 KGAFRM CN1CCCN(c2cc(N3CCOCC3)cn3c(=O)c([O-])c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)C1=O ZINC000058583036 562700019 /nfs/dbraw/zinc/70/00/19/562700019.db2.gz VZGYVPGZXYUAIU-UHFFFAOYSA-N -1 0 550.616 3.352 1 0 KGAFRM Cc1nnc(NC(=O)[C@@H]2OCO[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)[O-])s1 ZINC000058583234 562700090 /nfs/dbraw/zinc/70/00/90/562700090.db2.gz ICFCAIXGDGBDSO-XUVXKRRUSA-N -1 0 581.434 3.224 1 0 KGAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000058591176 562700430 /nfs/dbraw/zinc/70/04/30/562700430.db2.gz JTASSQLBLFQSDP-HDYLNDSGSA-N -1 0 617.438 3.471 1 0 KGAFRM O=C1OCCN1c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000058591968 562700542 /nfs/dbraw/zinc/70/05/42/562700542.db2.gz FQDBXSGMGHFFIC-UHFFFAOYSA-N -1 0 523.546 3.047 1 0 KGAFRM CC(C)(C)NC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000058651089 562701318 /nfs/dbraw/zinc/70/13/18/562701318.db2.gz DZJZWOCPHOOKEG-PWRODBHTSA-N -1 0 539.412 3.341 1 0 KGAFRM COc1c(N2CCC[C@H](N(C)CCN3C(=O)C(=O)c4cc(F)ccc43)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000058655420 562701326 /nfs/dbraw/zinc/70/13/26/562701326.db2.gz XQPVMRWAXMNZAC-SFHVURJKSA-N -1 0 580.588 3.452 1 0 KGAFRM O=C1CCCN1c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000058660974 562701422 /nfs/dbraw/zinc/70/14/22/562701422.db2.gz BBLXSYUZBXVMHO-UHFFFAOYSA-N -1 0 521.574 3.217 1 0 KGAFRM CCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)C[NH2+]CC[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000058677895 562701510 /nfs/dbraw/zinc/70/15/10/562701510.db2.gz SYZYBPFCQPDGMW-ZONZVBGPSA-N -1 0 630.679 3.092 1 0 KGAFRM CO[C@H]1CN(c2nc(-c3ncccn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059128895 562701718 /nfs/dbraw/zinc/70/17/18/562701718.db2.gz OSHOLVCAJUAKIU-MNOVXSKESA-N -1 0 511.391 3.265 1 0 KGAFRM CO[C@H]1CN(c2nc(-c3ccncn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059128898 562701717 /nfs/dbraw/zinc/70/17/17/562701717.db2.gz PUERARBRJYRHQA-PWSUYJOCSA-N -1 0 511.391 3.265 1 0 KGAFRM CO[C@H]1CN(c2nc(-c3cnccn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059129273 562701711 /nfs/dbraw/zinc/70/17/11/562701711.db2.gz XHLRICGKGAEKEB-PWSUYJOCSA-N -1 0 511.391 3.265 1 0 KGAFRM COCn1ccnc1-c1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)sc1C(=O)[O-] ZINC000059129427 562701766 /nfs/dbraw/zinc/70/17/66/562701766.db2.gz HJHYIVAJQXEXCN-NEPJUHHUSA-N -1 0 543.433 3.276 1 0 KGAFRM CO[C@H]1CN(c2nc(-c3nccn3C)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059129593 562701764 /nfs/dbraw/zinc/70/17/64/562701764.db2.gz WGUQUFAQRYHLPM-MNOVXSKESA-N -1 0 513.407 3.209 1 0 KGAFRM CO[C@H]1CN(c2nc(-c3cn(C)cn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000059130170 562701753 /nfs/dbraw/zinc/70/17/53/562701753.db2.gz MVAFQBHRHCIMSF-PWSUYJOCSA-N -1 0 513.407 3.209 1 0 KGAFRM COc1ccnc(-c2nc(N3CC[C@@H](NC(=O)c4[nH]c(C)c(Cl)c4Cl)[C@@H](OC)C3)sc2C(=O)[O-])n1 ZINC000059130173 562701749 /nfs/dbraw/zinc/70/17/49/562701749.db2.gz SZSDINAPKOESMU-MNOVXSKESA-N -1 0 541.417 3.274 1 0 KGAFRM COc1c(-c2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C ZINC000059185692 562701876 /nfs/dbraw/zinc/70/18/76/562701876.db2.gz VQTJHVDHKTWBNP-UHFFFAOYSA-N -1 0 500.602 3.480 1 0 KGAFRM CCCN[C@H]1COCCN1c1nc([N-]c2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)nc(N2CCOC[C@@H]2NCCC)n1 ZINC000064373341 562704873 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C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@H]1C[N-]S(=O)(=O)C(F)(F)F ZINC000064527021 562706719 /nfs/dbraw/zinc/70/67/19/562706719.db2.gz KXVJNLDVYFFXNH-WBVHZDCISA-N -1 0 597.634 3.103 1 0 KGAFRM C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@@H]1C[N-]S(=O)(=O)C(F)(F)F ZINC000064527192 562706846 /nfs/dbraw/zinc/70/68/46/562706846.db2.gz KXVJNLDVYFFXNH-NVXWUHKLSA-N -1 0 597.634 3.103 1 0 KGAFRM O=S(=O)([N-]CC[C@H]1CCCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C1)C(F)(F)F ZINC000064528040 562707238 /nfs/dbraw/zinc/70/72/38/562707238.db2.gz LDWKJEMTUZWRTE-MRXNPFEDSA-N -1 0 597.634 3.247 1 0 KGAFRM O=S(=O)([N-]CC[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C1)C(F)(F)F ZINC000064528041 562707211 /nfs/dbraw/zinc/70/72/11/562707211.db2.gz LDWKJEMTUZWRTE-INIZCTEOSA-N -1 0 597.634 3.247 1 0 KGAFRM CC1(C[N-]S(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1 ZINC000064528228 562707249 /nfs/dbraw/zinc/70/72/49/562707249.db2.gz MLOCWWJAICPQFP-UHFFFAOYSA-N -1 0 597.634 3.247 1 0 KGAFRM C[C@@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)n2cccc2S(=O)(=O)c2ccccc2F)cc1 ZINC000064528429 562707377 /nfs/dbraw/zinc/70/73/77/562707377.db2.gz LHBJAKYMCKDZJS-CYBMUJFWSA-N -1 0 540.538 3.197 1 0 KGAFRM CC1(C)CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@@H]1C[N-]S(=O)(=O)C(F)(F)F ZINC000064528469 562707368 /nfs/dbraw/zinc/70/73/68/562707368.db2.gz LDUJMRHXJPYKFT-QGZVFWFLSA-N -1 0 611.661 3.493 1 0 KGAFRM CC1(C)CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@H]1C[N-]S(=O)(=O)C(F)(F)F ZINC000064528470 562707364 /nfs/dbraw/zinc/70/73/64/562707364.db2.gz LDUJMRHXJPYKFT-KRWDZBQOSA-N -1 0 611.661 3.493 1 0 KGAFRM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(=O)[O-] ZINC000064532024 562707408 /nfs/dbraw/zinc/70/74/08/562707408.db2.gz IEZUTDJHDVXOKT-IUNIUWFISA-N -1 0 502.589 3.275 1 0 KGAFRM CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)[O-] ZINC000064532134 562707420 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533.448 3.201 1 0 KGAFRM CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(F)(F)F)c(Br)c(=O)[n-]1 ZINC000096916015 562801164 /nfs/dbraw/zinc/80/11/64/562801164.db2.gz BNVVNGDAZLXJFF-UHFFFAOYSA-N -1 0 539.374 3.355 1 0 KGAFRM CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916019 562801177 /nfs/dbraw/zinc/80/11/77/562801177.db2.gz NOFJASKGJYPFBW-UHFFFAOYSA-N -1 0 500.415 3.133 1 0 KGAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccc(NC(=S)NCCCN5CCOCC5)cc4F)CC3)cc21 ZINC000096921851 562801595 /nfs/dbraw/zinc/80/15/95/562801595.db2.gz PHLRKXRSFPKSEM-UHFFFAOYSA-N -1 0 614.719 3.333 1 0 KGAFRM CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)N(C(=O)OCOC(=O)/C=C/C(=O)[O-])C4CC4)ccc3C)c2c1C ZINC000096928069 562802754 /nfs/dbraw/zinc/80/27/54/562802754.db2.gz FVKRQJLUOOBUCQ-MDZDMXLPSA-N -1 0 578.582 3.112 1 0 KGAFRM CCCN(C(=O)OCOC(=O)/C=C/C(=O)[O-])C(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C ZINC000096928070 562802771 /nfs/dbraw/zinc/80/27/71/562802771.db2.gz CLHCYLBFWYWESR-MDZDMXLPSA-N -1 0 578.582 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ZINC000114514537 562828271 /nfs/dbraw/zinc/82/82/71/562828271.db2.gz IMOWUVBXJPFPIG-UHFFFAOYSA-N -1 0 503.920 3.282 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(F)cc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21 ZINC000114514583 562828247 /nfs/dbraw/zinc/82/82/47/562828247.db2.gz YTLRTCJVTXTTER-UHFFFAOYSA-N -1 0 541.966 3.411 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1COc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21 ZINC000114515417 562828275 /nfs/dbraw/zinc/82/82/75/562828275.db2.gz DRQXQGKIDIFDMR-UHFFFAOYSA-N -1 0 509.949 3.230 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000114516007 562828259 /nfs/dbraw/zinc/82/82/59/562828259.db2.gz VMWJPVPOSSECPW-UHFFFAOYSA-N -1 0 568.988 3.421 1 0 KGAFRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(Cl)c2)CCS3(=O)=O)cc1 ZINC000114516726 562828298 /nfs/dbraw/zinc/82/82/98/562828298.db2.gz CXZNGDWRFRSXRB-UHFFFAOYSA-N -1 0 520.972 3.273 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1COc2c1cc(C(=O)Nc1nc(CC(=O)[O-])cs1)cc2F ZINC000114517074 562828301 /nfs/dbraw/zinc/82/83/01/562828301.db2.gz DLLBGWZVARKRSV-UHFFFAOYSA-N -1 0 527.939 3.369 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1COCc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21 ZINC000114517666 562828284 /nfs/dbraw/zinc/82/82/84/562828284.db2.gz IDWORKSBLMUSAR-UHFFFAOYSA-N -1 0 523.976 3.368 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ncc(CC(=O)[O-])s3)cc21 ZINC000114518688 562828277 /nfs/dbraw/zinc/82/82/77/562828277.db2.gz FSTZWHGPIRPCHD-UHFFFAOYSA-N -1 0 523.976 3.272 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ncc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000114518726 562828297 /nfs/dbraw/zinc/82/82/97/562828297.db2.gz TUJKWHFTUCQLPS-UHFFFAOYSA-N -1 0 503.920 3.282 1 0 KGAFRM Cc1cc(C)cc(S(=O)(=O)N2CCS(=O)(=O)c3ccc(C(=O)Nc4ccc(C(=O)[O-])cc4)cc32)c1 ZINC000114520338 562828288 /nfs/dbraw/zinc/82/82/88/562828288.db2.gz BUOGZYOUILUACF-UHFFFAOYSA-N -1 0 514.581 3.237 1 0 KGAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21 ZINC000114520974 562828316 /nfs/dbraw/zinc/82/83/16/562828316.db2.gz OPPHXUMMBQMBRP-UHFFFAOYSA-N -1 0 523.976 3.272 1 0 KGAFRM O=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn(COP(=O)([O-])[O-])n4)c(F)c3)c2n1 ZINC000116186831 562829241 /nfs/dbraw/zinc/82/92/41/562829241.db2.gz SFRVMXJAKYOXEA-LJQANCHMSA-N -1 0 570.409 3.093 1 0 KGAFRM COc1cnc(-c2cc(C(=O)[O-])n[nH]2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c21 ZINC000116495710 562829409 /nfs/dbraw/zinc/82/94/09/562829409.db2.gz VSABUOSQKAMULL-UHFFFAOYSA-N -1 0 522.521 3.489 1 0 KGAFRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118514209 562830285 /nfs/dbraw/zinc/83/02/85/562830285.db2.gz QDSANNKDHYCQQO-XZOQPEGZSA-N -1 0 530.046 3.407 1 0 KGAFRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118514212 562830310 /nfs/dbraw/zinc/83/03/10/562830310.db2.gz QDSANNKDHYCQQO-GOTSBHOMSA-N -1 0 530.046 3.407 1 0 KGAFRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118514216 562830312 /nfs/dbraw/zinc/83/03/12/562830312.db2.gz QDSANNKDHYCQQO-DHIUTWEWSA-N -1 0 530.046 3.407 1 0 KGAFRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118514219 562830307 /nfs/dbraw/zinc/83/03/07/562830307.db2.gz QDSANNKDHYCQQO-PKTZIBPZSA-N -1 0 530.046 3.407 1 0 KGAFRM O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc21 ZINC000118518483 562830290 /nfs/dbraw/zinc/83/02/90/562830290.db2.gz RWYDGMGKTVJAMK-UHFFFAOYSA-N -1 0 512.415 3.258 1 0 KGAFRM O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000118523978 562830343 /nfs/dbraw/zinc/83/03/43/562830343.db2.gz POWFQDTVYCIDJJ-UHFFFAOYSA-N -1 0 512.415 3.258 1 0 KGAFRM O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(Cl)cc(Cl)c4)CC3)ccc21 ZINC000118527907 562830322 /nfs/dbraw/zinc/83/03/22/562830322.db2.gz OFROMNPSWUCORK-UHFFFAOYSA-N -1 0 512.415 3.258 1 0 KGAFRM CC[C@@H](C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-] ZINC000118527999 562830316 /nfs/dbraw/zinc/83/03/16/562830316.db2.gz VNNVSLCPXHGTNE-UZUQRXQVSA-N -1 0 535.066 3.422 1 0 KGAFRM CC[C@H](C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-] ZINC000118528001 562830329 /nfs/dbraw/zinc/83/03/29/562830329.db2.gz VNNVSLCPXHGTNE-GAJHUEQPSA-N -1 0 535.066 3.422 1 0 KGAFRM CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-] ZINC000118528003 562830320 /nfs/dbraw/zinc/83/03/20/562830320.db2.gz VNNVSLCPXHGTNE-HXOBKFHXSA-N -1 0 535.066 3.422 1 0 KGAFRM CC[C@H](C)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-] ZINC000118528005 562830321 /nfs/dbraw/zinc/83/03/21/562830321.db2.gz VNNVSLCPXHGTNE-SBUREZEXSA-N -1 0 535.066 3.422 1 0 KGAFRM CC(C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-] ZINC000118533574 562830326 /nfs/dbraw/zinc/83/03/26/562830326.db2.gz NGJXJZNWJPPFMG-JOCHJYFZSA-N 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ZINC000118919762 562830872 /nfs/dbraw/zinc/83/08/72/562830872.db2.gz TVPOLIFUNGGLJS-VVPCIPJRSA-N -1 0 505.696 3.440 1 0 KGAFRM C[C@H](CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118919767 562830869 /nfs/dbraw/zinc/83/08/69/562830869.db2.gz AMLDXIVVIASJFY-DJLRUIABSA-N -1 0 505.696 3.440 1 0 KGAFRM C[C@H](CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118919769 562830866 /nfs/dbraw/zinc/83/08/66/562830866.db2.gz AMLDXIVVIASJFY-SCDHYIHOSA-N -1 0 505.696 3.440 1 0 KGAFRM C[C@@H](CCC[C@@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118936754 571844250 /nfs/dbraw/zinc/84/42/50/571844250.db2.gz KAOLEMQCYWHOJQ-PJKOQZLSSA-N -1 0 532.740 3.182 1 0 endogenous,in-man KGAFRM C[C@H](CCC[C@@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118936755 571844280 /nfs/dbraw/zinc/84/42/80/571844280.db2.gz KAOLEMQCYWHOJQ-VMCITFDSSA-N -1 0 532.740 3.182 1 0 endogenous,in-man KGAFRM C[C@@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118936756 571844342 /nfs/dbraw/zinc/84/43/42/571844342.db2.gz KAOLEMQCYWHOJQ-PUHIOAGOSA-N -1 0 532.740 3.182 1 0 endogenous,in-man KGAFRM C[C@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118936757 571844210 /nfs/dbraw/zinc/84/42/10/571844210.db2.gz KAOLEMQCYWHOJQ-HYHRANBUSA-N -1 0 532.740 3.182 1 0 endogenous,in-man KGAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)n2)CC1 ZINC000136575285 562831194 /nfs/dbraw/zinc/83/11/94/562831194.db2.gz WEAALMVORVRXSQ-QHCPKHFHSA-N -1 0 575.622 3.083 1 0 KGAFRM COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)CCCSC)c1 ZINC000138131613 562831710 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