smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@H]3O2)n1 ZINC001164649881 719300101 /nfs/dbraw/zinc/30/01/01/719300101.db2.gz HZJGGYKKGGYTOV-KXUCPTDWSA-N -1 3 403.842 3.012 20 0 HGADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268588 939817628 /nfs/dbraw/zinc/81/76/28/939817628.db2.gz SSMROTZMJDVGSA-DCLXLUIPSA-N -1 3 408.498 3.034 20 0 HGADHM CC(C)COc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001263628378 939829033 /nfs/dbraw/zinc/82/90/33/939829033.db2.gz SOYPYYPPPNEHIV-VWLOTQADSA-N -1 3 424.541 3.500 20 0 HGADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(C(F)(F)F)ccc1F ZINC000426730975 1126084119 /nfs/dbraw/zinc/08/41/19/1126084119.db2.gz CBFSKMCSDXZWLF-KRWDZBQOSA-N -1 3 408.355 3.211 20 0 HGADHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1ccn(-c2ccccc2)n1 ZINC000426763453 1126089049 /nfs/dbraw/zinc/08/90/49/1126089049.db2.gz SAWVNJMBMRLCIP-GOSISDBHSA-N -1 3 400.276 3.420 20 0 HGADHM COc1cccc(C[C@@H](NCc2cc(OC)c(OC)cc2Br)C(=O)[O-])c1 ZINC000426813835 1126092134 /nfs/dbraw/zinc/09/21/34/1126092134.db2.gz ZYLYWTPNXMEZHL-MRXNPFEDSA-N -1 3 424.291 3.260 20 0 HGADHM CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164653559 719313929 /nfs/dbraw/zinc/31/39/29/719313929.db2.gz VQRBLXDXHPSAFG-UHFFFAOYSA-N -1 3 416.929 3.365 20 0 HGADHM CCOc1ccc([N-]S(=O)(=O)c2cccnc2N2CCN(CC(C)C)CC2)cc1 ZINC001164657617 719336192 /nfs/dbraw/zinc/33/61/92/719336192.db2.gz UWMSHPFAKNBBCQ-UHFFFAOYSA-N -1 3 418.563 3.059 20 0 HGADHM O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164968075 722078542 /nfs/dbraw/zinc/07/85/42/722078542.db2.gz PENBMIBYACATHZ-UHFFFAOYSA-N -1 3 424.904 3.423 20 0 HGADHM COc1cccc([C@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N2CCCC2)c1 ZINC000780349505 939108067 /nfs/dbraw/zinc/10/80/67/939108067.db2.gz VSDLSCXSSWVZPN-PMACEKPBSA-N -1 3 403.523 3.165 20 0 HGADHM COc1ccccc1C[C@@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372702 939822178 /nfs/dbraw/zinc/82/21/78/939822178.db2.gz RNRXVJHXCZZNJN-KBMIEXCESA-N -1 3 424.541 3.500 20 0 HGADHM O=C([O-])[C@]1(NC(=O)COc2ccc(F)c(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC001123372869 939823683 /nfs/dbraw/zinc/82/36/83/939823683.db2.gz XWZFJCSXIUAZSC-NRFANRHFSA-N -1 3 420.868 3.094 20 0 HGADHM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000426751813 1126087214 /nfs/dbraw/zinc/08/72/14/1126087214.db2.gz YGOIDWRPYGTIKJ-INIZCTEOSA-N -1 3 409.248 3.499 20 0 HGADHM Cc1cc(C)cc(-n2ncc(CN[C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])n2)c1 ZINC000756332231 1126107183 /nfs/dbraw/zinc/10/71/83/1126107183.db2.gz GIZLPNDVXWVGLI-OAQYLSRUSA-N -1 3 407.449 3.290 20 0 HGADHM CCCOc1c(Cl)cc(CN[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1OC ZINC001116763541 1126145907 /nfs/dbraw/zinc/14/59/07/1126145907.db2.gz YVHPBCUBCCDFKX-AWEZNQCLSA-N -1 3 402.278 3.230 20 0 HGADHM CSc1cc(Br)ccc1CN[C@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001321113201 1126171263 /nfs/dbraw/zinc/17/12/63/1126171263.db2.gz KYJPDUSJLZDZEJ-GFCCVEGCSA-N -1 3 404.717 3.264 20 0 HGADHM COc1cccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1[O-] ZINC000328607344 569418921 /nfs/dbraw/zinc/41/89/21/569418921.db2.gz VUDBTNLXORYJEV-IVZQSRNASA-N -1 3 406.442 3.040 20 0 HGADHM Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@@H]3O2)n1 ZINC001164649883 719300114 /nfs/dbraw/zinc/30/01/14/719300114.db2.gz HZJGGYKKGGYTOV-UTLUCORTSA-N -1 3 403.842 3.012 20 0 HGADHM COc1cccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N2CCCC2)c1 ZINC000780349508 939108164 /nfs/dbraw/zinc/10/81/64/939108164.db2.gz VSDLSCXSSWVZPN-WOJBJXKFSA-N -1 3 403.523 3.165 20 0 HGADHM O=C(COc1ccc2ccccc2c1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123267426 939817216 /nfs/dbraw/zinc/81/72/16/939817216.db2.gz GABNCOMAIRZRCG-RUZDIDTESA-N -1 3 418.493 3.454 20 0 HGADHM Cc1ccc([C@@H](CNC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)N2CCCC2)cc1 ZINC001262174781 939826800 /nfs/dbraw/zinc/82/68/00/939826800.db2.gz ISIXKOUCYWVKFJ-OAQYLSRUSA-N -1 3 407.514 3.053 20 0 HGADHM CC(C)c1ccc(OCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001263627330 939828259 /nfs/dbraw/zinc/82/82/59/939828259.db2.gz HPZMMVHHAPLXKD-DEOSSOPVSA-N -1 3 410.514 3.424 20 0 HGADHM COc1cc(C[C@@H](NCc2cc(F)ccc2Br)C(=O)[O-])cc(OC)c1 ZINC000426808331 1126091769 /nfs/dbraw/zinc/09/17/69/1126091769.db2.gz LQWCBIMJZOQDFP-QGZVFWFLSA-N -1 3 412.255 3.391 20 0 HGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2ccncc2)cc1F ZINC000426757715 1126088096 /nfs/dbraw/zinc/08/80/96/1126088096.db2.gz FBGFAAFNUZHHKM-MRXNPFEDSA-N -1 3 408.355 3.346 20 0 HGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(-c2ccsc2)s1 ZINC000426763995 1126089096 /nfs/dbraw/zinc/08/90/96/1126089096.db2.gz VCPFQSYOXYYNFY-NSHDSACASA-N -1 3 402.423 3.330 20 0 HGADHM CCCOc1c(Cl)cc(CN[C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1OC ZINC001116763542 1126145898 /nfs/dbraw/zinc/14/58/98/1126145898.db2.gz YVHPBCUBCCDFKX-CQSZACIVSA-N -1 3 402.278 3.230 20 0 HGADHM COc1cccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N2CCCC2)c1 ZINC000780349506 939107876 /nfs/dbraw/zinc/10/78/76/939107876.db2.gz VSDLSCXSSWVZPN-UXHICEINSA-N -1 3 403.523 3.165 20 0 HGADHM Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000780392618 939113889 /nfs/dbraw/zinc/11/38/89/939113889.db2.gz PAGSIENKVLJPDI-JOCHJYFZSA-N -1 3 424.545 3.022 20 0 HGADHM CC1(C)CN(C2(CNC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)CCCCC2)CCO1 ZINC000780568817 939133442 /nfs/dbraw/zinc/13/34/42/939133442.db2.gz OZROUECIANZIBN-GOSISDBHSA-N -1 3 409.571 3.133 20 0 HGADHM Cc1[nH]c2ccccc2c1CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627292 939828073 /nfs/dbraw/zinc/82/80/73/939828073.db2.gz GPFHGJNOBLKHCS-XMMPIXPASA-N -1 3 405.498 3.254 20 0 HGADHM COc1cc(C[C@H](NCc2cc(F)ccc2Br)C(=O)[O-])cc(OC)c1 ZINC000426808330 1126091675 /nfs/dbraw/zinc/09/16/75/1126091675.db2.gz LQWCBIMJZOQDFP-KRWDZBQOSA-N -1 3 412.255 3.391 20 0 HGADHM O=C(/C=C/c1ccnc2ccccc12)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372187 939821710 /nfs/dbraw/zinc/82/17/10/939821710.db2.gz MVJUDRHTFXPZBU-ZEWVGQQJSA-N -1 3 415.493 3.484 20 0 HGADHM Cc1nn(-c2ccccc2)cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372328 939822517 /nfs/dbraw/zinc/82/25/17/939822517.db2.gz LZRAGWKGWRXZQC-DEOSSOPVSA-N -1 3 418.497 3.030 20 0 HGADHM O=C([O-])[C@]1(NC(=O)CSCc2cccs2)CCCN(Cc2ccccc2)C1 ZINC001123372892 939823733 /nfs/dbraw/zinc/82/37/33/939823733.db2.gz YIYVINOFICCBIN-FQEVSTJZSA-N -1 3 404.557 3.217 20 0 HGADHM Cc1cc(C)c(OCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)c1 ZINC001263627541 939828107 /nfs/dbraw/zinc/82/81/07/939828107.db2.gz OTZJCKIMVCHJPJ-XMMPIXPASA-N -1 3 410.514 3.226 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)CCc2c[nH]c3ccccc23)CCCN(Cc2ccccc2)C1 ZINC001263627562 939828144 /nfs/dbraw/zinc/82/81/44/939828144.db2.gz PDHAQVVMBHCJPO-XMMPIXPASA-N -1 3 405.498 3.336 20 0 HGADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426647687 1126081123 /nfs/dbraw/zinc/08/11/23/1126081123.db2.gz PZJUWYOZSBLCGY-SFHVURJKSA-N -1 3 413.840 3.327 20 0 HGADHM COc1cc(Br)c(CN[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC ZINC000426748043 1126086524 /nfs/dbraw/zinc/08/65/24/1126086524.db2.gz ULUQRMQEFOVKLR-OAHLLOKOSA-N -1 3 412.255 3.391 20 0 HGADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(-c2ccncc2)cc1F ZINC000426748713 1126086826 /nfs/dbraw/zinc/08/68/26/1126086826.db2.gz ZLNLVRPACYONBX-QFIPXVFZSA-N -1 3 417.444 3.254 20 0 HGADHM Cc1cc(C)cc(C[C@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C(=O)[O-])c1 ZINC000426819607 1126092551 /nfs/dbraw/zinc/09/25/51/1126092551.db2.gz WBETUXDINSLJHU-SFHVURJKSA-N -1 3 402.857 3.462 20 0 HGADHM Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3cc(Cl)nc(=S)[n-]3)O2)n1 ZINC001164826141 720406654 /nfs/dbraw/zinc/40/66/54/720406654.db2.gz BVUDHVJHUVYHHC-UTLUCORTSA-N -1 3 403.842 3.154 20 0 HGADHM COc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780342557 939106706 /nfs/dbraw/zinc/10/67/06/939106706.db2.gz UFVHSJMSCQXORR-UXHICEINSA-N -1 3 403.523 3.165 20 0 HGADHM CC(C)c1ccc(OCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001263627331 939828113 /nfs/dbraw/zinc/82/81/13/939828113.db2.gz HPZMMVHHAPLXKD-XMMPIXPASA-N -1 3 410.514 3.424 20 0 HGADHM Cc1cc(C)cc(C[C@@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C(=O)[O-])c1 ZINC000426819606 1126092612 /nfs/dbraw/zinc/09/26/12/1126092612.db2.gz WBETUXDINSLJHU-GOSISDBHSA-N -1 3 402.857 3.462 20 0 HGADHM C[C@@H]1CN(C)[C@@H](C)CN1c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164638429 719245162 /nfs/dbraw/zinc/24/51/62/719245162.db2.gz YVRRNYXBJPLHHK-QWHCGFSZSA-N -1 3 412.918 3.204 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164758017 720978793 /nfs/dbraw/zinc/97/87/93/720978793.db2.gz RWSYZISBVRLQSB-LBPRGKRZSA-N -1 3 415.897 3.223 20 0 HGADHM O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164877865 721318039 /nfs/dbraw/zinc/31/80/39/721318039.db2.gz LNCHKGAAVHCAMU-ZDUSSCGKSA-N -1 3 424.904 3.464 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916114 721806488 /nfs/dbraw/zinc/80/64/88/721806488.db2.gz NTLLGMKMAWWXRU-BLLLJJGKSA-N -1 3 414.865 3.175 20 0 HGADHM Cc1ccc(-c2cc(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)[nH]n2)cc1 ZINC001123372069 939821573 /nfs/dbraw/zinc/82/15/73/939821573.db2.gz HKZAUPIAALIJRE-XMMPIXPASA-N -1 3 418.497 3.234 20 0 HGADHM COc1cc(Cl)c(CN[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1Cl ZINC000426742586 1126085872 /nfs/dbraw/zinc/08/58/72/1126085872.db2.gz KGTQYVFOSIYQRY-KRWDZBQOSA-N -1 3 421.284 3.368 20 0 HGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Br)ccc1F ZINC000426750704 1126086991 /nfs/dbraw/zinc/08/69/91/1126086991.db2.gz PQDVKGUCXAIQJO-NSHDSACASA-N -1 3 410.165 3.047 20 0 HGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Br)ccc1F ZINC000426750703 1126087046 /nfs/dbraw/zinc/08/70/46/1126087046.db2.gz PQDVKGUCXAIQJO-LLVKDONJSA-N -1 3 410.165 3.047 20 0 HGADHM O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1c1ccsc1 ZINC001164883612 721357286 /nfs/dbraw/zinc/35/72/86/721357286.db2.gz QNTOXLDVNHJPFF-VHSXEESVSA-N -1 3 402.879 3.409 20 0 HGADHM O=C([O-])[C@]1(NC(=O)CCCOc2cccc(F)c2)CCCN(Cc2ccccc2)C1 ZINC001123372779 939822248 /nfs/dbraw/zinc/82/22/48/939822248.db2.gz USBWYFNLNARHTN-QHCPKHFHSA-N -1 3 414.477 3.220 20 0 HGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627189 939827983 /nfs/dbraw/zinc/82/79/83/939827983.db2.gz BEGVCIZZWLNANL-UUOWRZLLSA-N -1 3 410.514 3.424 20 0 HGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(-c2cccs2)s1 ZINC000426762967 1126089016 /nfs/dbraw/zinc/08/90/16/1126089016.db2.gz OXNLHRRNFRAHRA-JTQLQIEISA-N -1 3 402.423 3.330 20 0 HGADHM Cc1cnn(C[C@@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)[O-])c1 ZINC001320748986 1126170214 /nfs/dbraw/zinc/17/02/14/1126170214.db2.gz QXAKYGXRECKRDQ-LJQANCHMSA-N -1 3 412.877 3.340 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CCCN(Cc2ccccc2)C1 ZINC001123268803 939817527 /nfs/dbraw/zinc/81/75/27/939817527.db2.gz UCFACUSXBUEFSJ-GEQKSPFYSA-N -1 3 414.452 3.304 20 0 HGADHM O=C(CCc1nc2ccccc2s1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268604 939817770 /nfs/dbraw/zinc/81/77/70/939817770.db2.gz STPWYKXUKPFTDO-QHCPKHFHSA-N -1 3 423.538 3.465 20 0 HGADHM C[C@H]1CN(c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2F)[C@@H](C)CN1C ZINC001164638430 719245220 /nfs/dbraw/zinc/24/52/20/719245220.db2.gz YVRRNYXBJPLHHK-STQMWFEESA-N -1 3 412.918 3.204 20 0 HGADHM O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1 ZINC001164977625 722085327 /nfs/dbraw/zinc/08/53/27/722085327.db2.gz XJMDAYMZRVLQDG-JGPRNRPPSA-N -1 3 402.898 3.095 20 0 HGADHM COc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780342558 939106589 /nfs/dbraw/zinc/10/65/89/939106589.db2.gz UFVHSJMSCQXORR-VQTJNVASSA-N -1 3 403.523 3.165 20 0 HGADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268595 939818014 /nfs/dbraw/zinc/81/80/14/939818014.db2.gz SSMROTZMJDVGSA-ROKPMTFOSA-N -1 3 408.498 3.034 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)CCCOc2cccc(F)c2)CCCN(Cc2ccccc2)C1 ZINC001123372778 939822292 /nfs/dbraw/zinc/82/22/92/939822292.db2.gz USBWYFNLNARHTN-HSZRJFAPSA-N -1 3 414.477 3.220 20 0 HGADHM Cc1cc(Cl)ccc1OCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627741 939827950 /nfs/dbraw/zinc/82/79/50/939827950.db2.gz VGXQSAYVAPYUAW-QFIPXVFZSA-N -1 3 416.905 3.263 20 0 HGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426663679 1126081349 /nfs/dbraw/zinc/08/13/49/1126081349.db2.gz NAWPUBVTIMSYFJ-LJQANCHMSA-N -1 3 413.840 3.327 20 0 HGADHM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000426751814 1126087292 /nfs/dbraw/zinc/08/72/92/1126087292.db2.gz YGOIDWRPYGTIKJ-MRXNPFEDSA-N -1 3 409.248 3.499 20 0 HGADHM CC(C)c1ccccc1OCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371925 939821769 /nfs/dbraw/zinc/82/17/69/939821769.db2.gz GKGRNJZYJCJTMG-XMMPIXPASA-N -1 3 410.514 3.424 20 0 HGADHM COc1ccccc1[C@@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627188 939828225 /nfs/dbraw/zinc/82/82/25/939828225.db2.gz BEGVCIZZWLNANL-MHECFPHRSA-N -1 3 410.514 3.424 20 0 HGADHM Cc1cc(C)n(C[C@@H](NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])n1 ZINC000426726659 1126083393 /nfs/dbraw/zinc/08/33/93/1126083393.db2.gz LBRUYFHQDAWVMC-GOSISDBHSA-N -1 3 421.423 3.007 20 0 HGADHM C[C@@H]1CN(c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2F)[C@H](C)CN1C ZINC001164638427 719244913 /nfs/dbraw/zinc/24/49/13/719244913.db2.gz YVRRNYXBJPLHHK-CHWSQXEVSA-N -1 3 412.918 3.204 20 0 HGADHM CC(C)c1noc2ncc(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cc21 ZINC001123269858 939818643 /nfs/dbraw/zinc/81/86/43/939818643.db2.gz CKKJHKCLENTOMW-HSZRJFAPSA-N -1 3 422.485 3.195 20 0 HGADHM CC(C)c1noc2ncc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cc21 ZINC001123269859 939818728 /nfs/dbraw/zinc/81/87/28/939818728.db2.gz CKKJHKCLENTOMW-QHCPKHFHSA-N -1 3 422.485 3.195 20 0 HGADHM Cc1ccc(-c2cc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)[nH]n2)cc1 ZINC001123372068 939821714 /nfs/dbraw/zinc/82/17/14/939821714.db2.gz HKZAUPIAALIJRE-DEOSSOPVSA-N -1 3 418.497 3.234 20 0 HGADHM O=C(/C=C/c1ccnc2ccccc12)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372184 939822041 /nfs/dbraw/zinc/82/20/41/939822041.db2.gz MVJUDRHTFXPZBU-CJZRDCOESA-N -1 3 415.493 3.484 20 0 HGADHM O=C([O-])[C@]1(NC(=O)c2cccc(Br)c2)CCCN(Cc2ccccc2)C1 ZINC001123372381 939822223 /nfs/dbraw/zinc/82/22/23/939822223.db2.gz MPCOGUIITJQPMN-FQEVSTJZSA-N -1 3 417.303 3.298 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)CCc2ccc3[nH]ccc3c2)CCCN(Cc2ccccc2)C1 ZINC001263628118 939828994 /nfs/dbraw/zinc/82/89/94/939828994.db2.gz JDJFWMMUKRHJPC-XMMPIXPASA-N -1 3 405.498 3.336 20 0 HGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(-c2cccs2)s1 ZINC000426762968 1126089082 /nfs/dbraw/zinc/08/90/82/1126089082.db2.gz OXNLHRRNFRAHRA-SNVBAGLBSA-N -1 3 402.423 3.330 20 0 HGADHM O=C(COc1ccc2ccccc2c1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123267427 939817098 /nfs/dbraw/zinc/81/70/98/939817098.db2.gz GABNCOMAIRZRCG-VWLOTQADSA-N -1 3 418.493 3.454 20 0 HGADHM Cc1cc(OCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1Cl ZINC001123372461 939822361 /nfs/dbraw/zinc/82/23/61/939822361.db2.gz MZDCSCQPMPWTJP-QFIPXVFZSA-N -1 3 416.905 3.263 20 0 HGADHM COc1ccccc1[C@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627186 939828179 /nfs/dbraw/zinc/82/81/79/939828179.db2.gz BEGVCIZZWLNANL-HOYKHHGWSA-N -1 3 410.514 3.424 20 0 HGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)NCc1csc(-c2ccccn2)n1 ZINC001116780803 1126146277 /nfs/dbraw/zinc/14/62/77/1126146277.db2.gz WUCAJEIWLIVPTD-QGZVFWFLSA-N -1 3 411.483 3.152 20 0 HGADHM CSc1cc(Br)ccc1CN[C@@H](Cn1cc(Cl)cn1)C(=O)[O-] ZINC001321113203 1126171275 /nfs/dbraw/zinc/17/12/75/1126171275.db2.gz KYJPDUSJLZDZEJ-LBPRGKRZSA-N -1 3 404.717 3.264 20 0 HGADHM O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165016301 721771297 /nfs/dbraw/zinc/77/12/97/721771297.db2.gz OXEQPGBDUHYXFU-QWRGUYRKSA-N -1 3 414.865 3.298 20 0 HGADHM O=C(CCCOCc1ccccc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268122 939817051 /nfs/dbraw/zinc/81/70/51/939817051.db2.gz NSPKJGITEDWTHA-XMMPIXPASA-N -1 3 410.514 3.219 20 0 HGADHM O=C(CCc1nc2ccccc2s1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268602 939817692 /nfs/dbraw/zinc/81/76/92/939817692.db2.gz STPWYKXUKPFTDO-HSZRJFAPSA-N -1 3 423.538 3.465 20 0 HGADHM Cc1[nH]c2ccccc2c1CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627291 939827643 /nfs/dbraw/zinc/82/76/43/939827643.db2.gz GPFHGJNOBLKHCS-DEOSSOPVSA-N -1 3 405.498 3.254 20 0 HGADHM O=C([O-])[C@]1(NC(=O)CCc2ccc3[nH]ccc3c2)CCCN(Cc2ccccc2)C1 ZINC001263628117 939829007 /nfs/dbraw/zinc/82/90/07/939829007.db2.gz JDJFWMMUKRHJPC-DEOSSOPVSA-N -1 3 405.498 3.336 20 0 HGADHM COc1cccc(C[C@@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)C(=O)[O-])c1 ZINC000426817975 1126092560 /nfs/dbraw/zinc/09/25/60/1126092560.db2.gz QOAJRTFQUHIZRQ-QGZVFWFLSA-N -1 3 421.284 3.368 20 0 HGADHM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629543 719114807 /nfs/dbraw/zinc/11/48/07/719114807.db2.gz SLQRGANDVSDTOO-GDBMZVCRSA-N -1 3 422.863 3.474 20 0 HGADHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc(Cl)nc(=S)[n-]3)O2)n1 ZINC001164826139 720406518 /nfs/dbraw/zinc/40/65/18/720406518.db2.gz BVUDHVJHUVYHHC-BBBLOLIVSA-N -1 3 403.842 3.154 20 0 HGADHM O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1c1ccsc1 ZINC001164883610 721356837 /nfs/dbraw/zinc/35/68/37/721356837.db2.gz QNTOXLDVNHJPFF-UWVGGRQHSA-N -1 3 402.879 3.409 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916117 721806560 /nfs/dbraw/zinc/80/65/60/721806560.db2.gz NTLLGMKMAWWXRU-MLGOLLRUSA-N -1 3 414.865 3.175 20 0 HGADHM O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1 ZINC001164977622 722085324 /nfs/dbraw/zinc/08/53/24/722085324.db2.gz XJMDAYMZRVLQDG-GHMZBOCLSA-N -1 3 402.898 3.095 20 0 HGADHM COc1ccc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(Br)c1O ZINC000426645857 1126081075 /nfs/dbraw/zinc/08/10/75/1126081075.db2.gz GEKTYCCAVPSUMU-OAHLLOKOSA-N -1 3 419.275 3.430 20 0 HGADHM CCOc1c(Cl)cc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1OC ZINC000426758804 1126088419 /nfs/dbraw/zinc/08/84/19/1126088419.db2.gz ULSQBXQUGZPKSL-LBPRGKRZSA-N -1 3 421.803 3.206 20 0 HGADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1csc(-c2ccc(F)cc2)n1 ZINC000426786845 1126090427 /nfs/dbraw/zinc/09/04/27/1126090427.db2.gz YZKSTPMFAZYUNX-MRXNPFEDSA-N -1 3 400.431 3.463 20 0 HGADHM COc1c(Cl)cc(Cl)cc1CN[C@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000426744495 1126086033 /nfs/dbraw/zinc/08/60/33/1126086033.db2.gz CRNMRXXZNJREAC-QGZVFWFLSA-N -1 3 421.284 3.368 20 0 HGADHM Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC3)cn1 ZINC001164695027 719826326 /nfs/dbraw/zinc/82/63/26/719826326.db2.gz ALHOPOGRZQGLIV-LLVKDONJSA-N -1 3 415.897 3.240 20 0 HGADHM O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1c1ccsc1 ZINC001164883613 721356936 /nfs/dbraw/zinc/35/69/36/721356936.db2.gz QNTOXLDVNHJPFF-ZJUUUORDSA-N -1 3 402.879 3.409 20 0 HGADHM O=C([O-])[C@]1(NC(=O)CCc2cc(F)ccc2F)CCCN(Cc2ccccc2)C1 ZINC001123371732 939821972 /nfs/dbraw/zinc/82/19/72/939821972.db2.gz CKGOOKDIVGFHSM-QFIPXVFZSA-N -1 3 402.441 3.133 20 0 HGADHM COc1ccc([C@@H](C)CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123372614 939822555 /nfs/dbraw/zinc/82/25/55/939822555.db2.gz RBTAQNQSOUGZQV-MHECFPHRSA-N -1 3 410.514 3.424 20 0 HGADHM Cc1ccc2c(CC(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c[nH]c2c1 ZINC001123372743 939822650 /nfs/dbraw/zinc/82/26/50/939822650.db2.gz SRMRVEUFIKJWHE-DEOSSOPVSA-N -1 3 405.498 3.254 20 0 HGADHM COc1ccccc1C[C@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372703 939822858 /nfs/dbraw/zinc/82/28/58/939822858.db2.gz RNRXVJHXCZZNJN-UQBPGWFLSA-N -1 3 424.541 3.500 20 0 HGADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426647685 1126081110 /nfs/dbraw/zinc/08/11/10/1126081110.db2.gz PZJUWYOZSBLCGY-GOSISDBHSA-N -1 3 413.840 3.327 20 0 HGADHM Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@@H]3O2)n1 ZINC001164649880 719300191 /nfs/dbraw/zinc/30/01/91/719300191.db2.gz HZJGGYKKGGYTOV-GUBZILKMSA-N -1 3 403.842 3.012 20 0 HGADHM O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C1 ZINC001164977627 722085212 /nfs/dbraw/zinc/08/52/12/722085212.db2.gz XJMDAYMZRVLQDG-QWRGUYRKSA-N -1 3 402.898 3.095 20 0 HGADHM Cc1cc(OCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1Cl ZINC001123372460 939822874 /nfs/dbraw/zinc/82/28/74/939822874.db2.gz MZDCSCQPMPWTJP-JOCHJYFZSA-N -1 3 416.905 3.263 20 0 HGADHM Cc1ccc([C@H](CNC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)N2CCCC2)cc1 ZINC001262174780 939826979 /nfs/dbraw/zinc/82/69/79/939826979.db2.gz ISIXKOUCYWVKFJ-NRFANRHFSA-N -1 3 407.514 3.053 20 0 HGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Br)cc1F ZINC000426719357 1126081972 /nfs/dbraw/zinc/08/19/72/1126081972.db2.gz FZELHHBNCDDYQB-NSHDSACASA-N -1 3 410.165 3.047 20 0 HGADHM Cc1cc(C)n(C[C@H](NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])n1 ZINC000426726660 1126083306 /nfs/dbraw/zinc/08/33/06/1126083306.db2.gz LBRUYFHQDAWVMC-SFHVURJKSA-N -1 3 421.423 3.007 20 0 HGADHM COc1ccc(C(=O)Nc2cccc(CN[C@H](Cn3nc(C)cc3C)C(=O)[O-])c2)cc1 ZINC000426742515 1126085808 /nfs/dbraw/zinc/08/58/08/1126085808.db2.gz PRIARCFVQZJQTJ-OAQYLSRUSA-N -1 3 422.485 3.004 20 0 HGADHM COc1c(Cl)cc(Cl)cc1CN[C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000426744493 1126086015 /nfs/dbraw/zinc/08/60/15/1126086015.db2.gz CRNMRXXZNJREAC-KRWDZBQOSA-N -1 3 421.284 3.368 20 0 HGADHM O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164877861 721317896 /nfs/dbraw/zinc/31/78/96/721317896.db2.gz LNCHKGAAVHCAMU-CYBMUJFWSA-N -1 3 424.904 3.464 20 0 HGADHM O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)[C@H]2C1 ZINC001165016297 721770935 /nfs/dbraw/zinc/77/09/35/721770935.db2.gz OXEQPGBDUHYXFU-MNOVXSKESA-N -1 3 414.865 3.298 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCN(CCOc2ccccc2)CC1 ZINC001165045443 721958561 /nfs/dbraw/zinc/95/85/61/721958561.db2.gz UKIBDAZLTLNUPY-UHFFFAOYSA-N -1 3 400.882 3.165 20 0 HGADHM CC(C)COc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001263628377 939828634 /nfs/dbraw/zinc/82/86/34/939828634.db2.gz SOYPYYPPPNEHIV-RUZDIDTESA-N -1 3 424.541 3.500 20 0 HGADHM CCOc1cc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc(Cl)c1OC ZINC000426721775 1126082391 /nfs/dbraw/zinc/08/23/91/1126082391.db2.gz TWEUGZAJHLDSSA-LBPRGKRZSA-N -1 3 421.803 3.206 20 0 HGADHM CCOc1c(Cl)cc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1OC ZINC000426758803 1126088324 /nfs/dbraw/zinc/08/83/24/1126088324.db2.gz ULSQBXQUGZPKSL-GFCCVEGCSA-N -1 3 421.803 3.206 20 0 HGADHM Cc1cc(C)cc(C[C@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C(=O)[O-])c1 ZINC000426772111 1126089631 /nfs/dbraw/zinc/08/96/31/1126089631.db2.gz BTTZQNAUHOJUBL-IBGZPJMESA-N -1 3 402.857 3.462 20 0 HGADHM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629545 719114151 /nfs/dbraw/zinc/11/41/51/719114151.db2.gz SLQRGANDVSDTOO-GOEBONIOSA-N -1 3 422.863 3.474 20 0 HGADHM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629547 719114267 /nfs/dbraw/zinc/11/42/67/719114267.db2.gz SLQRGANDVSDTOO-HOCLYGCPSA-N -1 3 422.863 3.474 20 0 HGADHM Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(Cl)nc(=S)[n-]3)O2)n1 ZINC001164826138 720407047 /nfs/dbraw/zinc/40/70/47/720407047.db2.gz BVUDHVJHUVYHHC-AEJSXWLSSA-N -1 3 403.842 3.154 20 0 HGADHM O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1c1ccsc1 ZINC001164883608 721357188 /nfs/dbraw/zinc/35/71/88/721357188.db2.gz QNTOXLDVNHJPFF-NXEZZACHSA-N -1 3 402.879 3.409 20 0 HGADHM COc1ccccc1C/C(C)=C\C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371668 939821838 /nfs/dbraw/zinc/82/18/38/939821838.db2.gz AOXIPXDUJCCEJW-MGIPWVDBSA-N -1 3 422.525 3.420 20 0 HGADHM Cc1cc(C)cc(C[C@@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C(=O)[O-])c1 ZINC000426772112 1126089646 /nfs/dbraw/zinc/08/96/46/1126089646.db2.gz BTTZQNAUHOJUBL-LJQANCHMSA-N -1 3 402.857 3.462 20 0 HGADHM Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@H]3O2)n1 ZINC001164649882 719300041 /nfs/dbraw/zinc/30/00/41/719300041.db2.gz HZJGGYKKGGYTOV-LPEHRKFASA-N -1 3 403.842 3.012 20 0 HGADHM Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3cc(Cl)nc(=S)[n-]3)O2)n1 ZINC001164826140 720406445 /nfs/dbraw/zinc/40/64/45/720406445.db2.gz BVUDHVJHUVYHHC-GUBZILKMSA-N -1 3 403.842 3.154 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758014 720978504 /nfs/dbraw/zinc/97/85/04/720978504.db2.gz RWSYZISBVRLQSB-GFCCVEGCSA-N -1 3 415.897 3.223 20 0 HGADHM O=C1CCC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)N1CC1CC1 ZINC001164774661 721306781 /nfs/dbraw/zinc/30/67/81/721306781.db2.gz GSBWJSPFWNSEST-UHFFFAOYSA-N -1 3 402.898 3.335 20 0 HGADHM O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)[C@@H]2C1 ZINC001165016304 721771708 /nfs/dbraw/zinc/77/17/08/721771708.db2.gz OXEQPGBDUHYXFU-WDEREUQCSA-N -1 3 414.865 3.298 20 0 HGADHM COc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780342556 939106371 /nfs/dbraw/zinc/10/63/71/939106371.db2.gz UFVHSJMSCQXORR-PMACEKPBSA-N -1 3 403.523 3.165 20 0 HGADHM COc1ccc([C@@H](C)CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123372615 939822746 /nfs/dbraw/zinc/82/27/46/939822746.db2.gz RBTAQNQSOUGZQV-UUOWRZLLSA-N -1 3 410.514 3.424 20 0 HGADHM COc1ccc(-c2ccncc2)cc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426727277 1126083324 /nfs/dbraw/zinc/08/33/24/1126083324.db2.gz OANPJDLGPMGUKH-MRXNPFEDSA-N -1 3 420.391 3.216 20 0 HGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1csc(-c2ccc(F)cc2)n1 ZINC000426786844 1126090550 /nfs/dbraw/zinc/09/05/50/1126090550.db2.gz YZKSTPMFAZYUNX-INIZCTEOSA-N -1 3 400.431 3.463 20 0 HGADHM Cc1ccc(CN[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])c(Br)c1 ZINC000426745057 1126086384 /nfs/dbraw/zinc/08/63/84/1126086384.db2.gz SSWMORIODXIEMW-GOSISDBHSA-N -1 3 415.291 3.124 20 0 HGADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)NCc1csc(-c2ccccn2)n1 ZINC001116780802 1126146236 /nfs/dbraw/zinc/14/62/36/1126146236.db2.gz WUCAJEIWLIVPTD-KRWDZBQOSA-N -1 3 411.483 3.152 20 0 HGADHM Cc1cnn(C[C@H](NCc2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)[O-])c1 ZINC001320748985 1126170231 /nfs/dbraw/zinc/17/02/31/1126170231.db2.gz QXAKYGXRECKRDQ-IBGZPJMESA-N -1 3 412.877 3.340 20 0 HGADHM C[C@@H]1CN(c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2F)[C@@H](C)CN1C ZINC001164638428 719244720 /nfs/dbraw/zinc/24/47/20/719244720.db2.gz YVRRNYXBJPLHHK-OLZOCXBDSA-N -1 3 412.918 3.204 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CCCN(Cc2ccccc2)C1 ZINC001123268806 939818080 /nfs/dbraw/zinc/81/80/80/939818080.db2.gz UCFACUSXBUEFSJ-WCAVRKLYSA-N -1 3 414.452 3.304 20 0 HGADHM COc1ccccc1C[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372701 939822596 /nfs/dbraw/zinc/82/25/96/939822596.db2.gz RNRXVJHXCZZNJN-DFBJGRDBSA-N -1 3 424.541 3.500 20 0 HGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Br)c(F)c1 ZINC000426747852 1126086613 /nfs/dbraw/zinc/08/66/13/1126086613.db2.gz SHNSUBBXWNWHNF-NSHDSACASA-N -1 3 410.165 3.047 20 0 HGADHM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629549 719114797 /nfs/dbraw/zinc/11/47/97/719114797.db2.gz SLQRGANDVSDTOO-ZBFHGGJFSA-N -1 3 422.863 3.474 20 0 HGADHM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268599 939817641 /nfs/dbraw/zinc/81/76/41/939817641.db2.gz SSMROTZMJDVGSA-SKPFHBQLSA-N -1 3 408.498 3.034 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CCCN(Cc2ccccc2)C1 ZINC001123268805 939817907 /nfs/dbraw/zinc/81/79/07/939817907.db2.gz UCFACUSXBUEFSJ-LYHRCORUSA-N -1 3 414.452 3.304 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)c2cccc(Br)c2)CCCN(Cc2ccccc2)C1 ZINC001123372383 939822548 /nfs/dbraw/zinc/82/25/48/939822548.db2.gz MPCOGUIITJQPMN-HXUWFJFHSA-N -1 3 417.303 3.298 20 0 HGADHM O=C([O-])[C@]1(NC(=O)Cc2coc(-c3ccccc3)n2)CCCN(Cc2ccccc2)C1 ZINC001263627527 939828092 /nfs/dbraw/zinc/82/80/92/939828092.db2.gz OMSXBUFJWXBIKG-DEOSSOPVSA-N -1 3 419.481 3.120 20 0 HGADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426663678 1126081283 /nfs/dbraw/zinc/08/12/83/1126081283.db2.gz NAWPUBVTIMSYFJ-IBGZPJMESA-N -1 3 413.840 3.327 20 0 HGADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(-c2ccncc2)cc1F ZINC000426757714 1126088134 /nfs/dbraw/zinc/08/81/34/1126088134.db2.gz FBGFAAFNUZHHKM-INIZCTEOSA-N -1 3 408.355 3.346 20 0 HGADHM COc1cccc(C[C@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)C(=O)[O-])c1 ZINC000426817974 1126092575 /nfs/dbraw/zinc/09/25/75/1126092575.db2.gz QOAJRTFQUHIZRQ-KRWDZBQOSA-N -1 3 421.284 3.368 20 0 HGADHM O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)[C@@H]2C1 ZINC001165016295 721771302 /nfs/dbraw/zinc/77/13/02/721771302.db2.gz OXEQPGBDUHYXFU-GHMZBOCLSA-N -1 3 414.865 3.298 20 0 HGADHM COc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N2CCCC2)cc1 ZINC000780342559 939106554 /nfs/dbraw/zinc/10/65/54/939106554.db2.gz UFVHSJMSCQXORR-WOJBJXKFSA-N -1 3 403.523 3.165 20 0 HGADHM O=C(/C=C\c1ccnc2ccccc12)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372186 939821794 /nfs/dbraw/zinc/82/17/94/939821794.db2.gz MVJUDRHTFXPZBU-OKFWSBNLSA-N -1 3 415.493 3.484 20 0 HGADHM CCn1cc(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c2ccccc21 ZINC001263627570 939827685 /nfs/dbraw/zinc/82/76/85/939827685.db2.gz PFPCSGBZWYUUDY-VWLOTQADSA-N -1 3 419.525 3.439 20 0 HGADHM O=C([O-])[C@]1(NC(=O)CCc2c[nH]c3ccccc23)CCCN(Cc2ccccc2)C1 ZINC001263627561 939828086 /nfs/dbraw/zinc/82/80/86/939828086.db2.gz PDHAQVVMBHCJPO-DEOSSOPVSA-N -1 3 405.498 3.336 20 0 HGADHM COc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(Br)c1O ZINC000426645856 1126081068 /nfs/dbraw/zinc/08/10/68/1126081068.db2.gz GEKTYCCAVPSUMU-HNNXBMFYSA-N -1 3 419.275 3.430 20 0 HGADHM CCOc1cc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc(Cl)c1OC ZINC000426721769 1126082454 /nfs/dbraw/zinc/08/24/54/1126082454.db2.gz TWEUGZAJHLDSSA-GFCCVEGCSA-N -1 3 421.803 3.206 20 0 HGADHM Cc1ccc(CN[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])c(Br)c1 ZINC000426745058 1126086368 /nfs/dbraw/zinc/08/63/68/1126086368.db2.gz SSWMORIODXIEMW-SFHVURJKSA-N -1 3 415.291 3.124 20 0 HGADHM Cc1ccc(-c2ncc(CN[C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])s2)o1 ZINC000426750253 1126087033 /nfs/dbraw/zinc/08/70/33/1126087033.db2.gz MFBOSRDHWGEDRV-LLVKDONJSA-N -1 3 400.382 3.170 20 0 HGADHM O=C([O-])[C@]1(NC(=O)c2ccc(Cn3cccc3)cc2)CCCN(Cc2ccccc2)C1 ZINC001123268887 939818058 /nfs/dbraw/zinc/81/80/58/939818058.db2.gz VOTWYKYEWZZNJV-VWLOTQADSA-N -1 3 417.509 3.386 20 0 HGADHM COc1ccccc1C/C(C)=C\C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371667 939821457 /nfs/dbraw/zinc/82/14/57/939821457.db2.gz AOXIPXDUJCCEJW-FVLIZWQSSA-N -1 3 422.525 3.420 20 0 HGADHM CC(C)c1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371924 939821910 /nfs/dbraw/zinc/82/19/10/939821910.db2.gz GKGRNJZYJCJTMG-DEOSSOPVSA-N -1 3 410.514 3.424 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)COc2ccc(F)c(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC001123372870 939823198 /nfs/dbraw/zinc/82/31/98/939823198.db2.gz XWZFJCSXIUAZSC-OAQYLSRUSA-N -1 3 420.868 3.094 20 0 HGADHM Cc1cc(C)c(OCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(C)c1 ZINC001263627540 939828079 /nfs/dbraw/zinc/82/80/79/939828079.db2.gz OTZJCKIMVCHJPJ-DEOSSOPVSA-N -1 3 410.514 3.226 20 0 HGADHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007674681 569300210 /nfs/dbraw/zinc/30/02/10/569300210.db2.gz UMHPQPWZTUGPGN-UHFFFAOYSA-N -1 3 400.323 3.147 20 0 HGADHM CCN(CC)[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cccc(OC)c1 ZINC000780374341 939111978 /nfs/dbraw/zinc/11/19/78/939111978.db2.gz MYAAXJGWAKSOFY-PMACEKPBSA-N -1 3 405.539 3.411 20 0 HGADHM CC1(C)CN(C2(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)CCCCC2)CCO1 ZINC000780568818 939133183 /nfs/dbraw/zinc/13/31/83/939133183.db2.gz OZROUECIANZIBN-SFHVURJKSA-N -1 3 409.571 3.133 20 0 HGADHM CC(C)c1cccc(OCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001123372776 939822410 /nfs/dbraw/zinc/82/24/10/939822410.db2.gz UQTKJDSMRSPFIE-XMMPIXPASA-N -1 3 410.514 3.424 20 0 HGADHM COc1ccccc1C[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372700 939822832 /nfs/dbraw/zinc/82/28/32/939822832.db2.gz RNRXVJHXCZZNJN-CLOONOSVSA-N -1 3 424.541 3.500 20 0 HGADHM COc1ccc(-c2ccncc2)cc1CN[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426727276 1126083351 /nfs/dbraw/zinc/08/33/51/1126083351.db2.gz OANPJDLGPMGUKH-INIZCTEOSA-N -1 3 420.391 3.216 20 0 HGADHM COc1cc(C[C@@H](NCc2ccc(F)cc2Br)C(=O)[O-])cc(OC)c1 ZINC000426795909 1126091165 /nfs/dbraw/zinc/09/11/65/1126091165.db2.gz ZNBWGOYJYZEDLF-QGZVFWFLSA-N -1 3 412.255 3.391 20 0 HGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Br)c(F)c1 ZINC000426747851 1126086533 /nfs/dbraw/zinc/08/65/33/1126086533.db2.gz SHNSUBBXWNWHNF-LLVKDONJSA-N -1 3 410.165 3.047 20 0 HGADHM O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164820096 720279571 /nfs/dbraw/zinc/27/95/71/720279571.db2.gz UQLURPZAOFAYCP-INIZCTEOSA-N -1 3 402.898 3.193 20 0 HGADHM CCN(CC)[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cccc(OC)c1 ZINC000780374348 939112259 /nfs/dbraw/zinc/11/22/59/939112259.db2.gz MYAAXJGWAKSOFY-WOJBJXKFSA-N -1 3 405.539 3.411 20 0 HGADHM COc1ccccc1C/C(C)=C/C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371666 939821194 /nfs/dbraw/zinc/82/11/94/939821194.db2.gz AOXIPXDUJCCEJW-AHNKUGAQSA-N -1 3 422.525 3.420 20 0 HGADHM COc1cc(C[C@H](NCc2ccc(F)cc2Br)C(=O)[O-])cc(OC)c1 ZINC000426795907 1126091131 /nfs/dbraw/zinc/09/11/31/1126091131.db2.gz ZNBWGOYJYZEDLF-KRWDZBQOSA-N -1 3 412.255 3.391 20 0 HGADHM Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000780392620 939114314 /nfs/dbraw/zinc/11/43/14/939114314.db2.gz PAGSIENKVLJPDI-QFIPXVFZSA-N -1 3 424.545 3.022 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CCCN(Cc2ccccc2)C1 ZINC001123268804 939817578 /nfs/dbraw/zinc/81/75/78/939817578.db2.gz UCFACUSXBUEFSJ-HFJQGTKSSA-N -1 3 414.452 3.304 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)c2ccc(Cn3cccc3)cc2)CCCN(Cc2ccccc2)C1 ZINC001123268886 939817947 /nfs/dbraw/zinc/81/79/47/939817947.db2.gz VOTWYKYEWZZNJV-RUZDIDTESA-N -1 3 417.509 3.386 20 0 HGADHM CC(C)c1cccc(OCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001123372775 939822613 /nfs/dbraw/zinc/82/26/13/939822613.db2.gz UQTKJDSMRSPFIE-DEOSSOPVSA-N -1 3 410.514 3.424 20 0 HGADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H](Cn3nc(C)cc3C)C(=O)[O-])c2)cc1 ZINC000426742514 1126085869 /nfs/dbraw/zinc/08/58/69/1126085869.db2.gz PRIARCFVQZJQTJ-NRFANRHFSA-N -1 3 422.485 3.004 20 0 HGADHM Cc1ccc(-c2ncc(CN[C@@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])s2)o1 ZINC000426750254 1126087041 /nfs/dbraw/zinc/08/70/41/1126087041.db2.gz MFBOSRDHWGEDRV-NSHDSACASA-N -1 3 400.382 3.170 20 0 HGADHM CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164695158 719791815 /nfs/dbraw/zinc/79/18/15/719791815.db2.gz JPMQZZOXQQDUFB-UHFFFAOYSA-N -1 3 401.870 3.146 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)Cc2coc(-c3ccccc3)n2)CCCN(Cc2ccccc2)C1 ZINC001263627528 939828076 /nfs/dbraw/zinc/82/80/76/939828076.db2.gz OMSXBUFJWXBIKG-XMMPIXPASA-N -1 3 419.481 3.120 20 0 HGADHM Cc1cc(Cl)ccc1OCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627740 939828082 /nfs/dbraw/zinc/82/80/82/939828082.db2.gz VGXQSAYVAPYUAW-JOCHJYFZSA-N -1 3 416.905 3.263 20 0 HGADHM CCn1cc(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c2ccccc21 ZINC001263627569 939828289 /nfs/dbraw/zinc/82/82/89/939828289.db2.gz PFPCSGBZWYUUDY-RUZDIDTESA-N -1 3 419.525 3.439 20 0 HGADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(C(F)(F)F)ccc1F ZINC000426730977 1126083957 /nfs/dbraw/zinc/08/39/57/1126083957.db2.gz CBFSKMCSDXZWLF-QGZVFWFLSA-N -1 3 408.355 3.211 20 0 HGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cnc(-c2ccsc2)s1 ZINC000426763994 1126089063 /nfs/dbraw/zinc/08/90/63/1126089063.db2.gz VCPFQSYOXYYNFY-LLVKDONJSA-N -1 3 402.423 3.330 20 0 HGADHM COc1cc(Br)c(CN[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC ZINC000426748042 1126086604 /nfs/dbraw/zinc/08/66/04/1126086604.db2.gz ULUQRMQEFOVKLR-HNNXBMFYSA-N -1 3 412.255 3.391 20 0 HGADHM COc1cccc(C[C@H](NCc2cc(OC)c(OC)cc2Br)C(=O)[O-])c1 ZINC000426813834 1126092120 /nfs/dbraw/zinc/09/21/20/1126092120.db2.gz ZYLYWTPNXMEZHL-INIZCTEOSA-N -1 3 424.291 3.260 20 0 HGADHM O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164820099 720280551 /nfs/dbraw/zinc/28/05/51/720280551.db2.gz UQLURPZAOFAYCP-MRXNPFEDSA-N -1 3 402.898 3.193 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916119 721806515 /nfs/dbraw/zinc/80/65/15/721806515.db2.gz NTLLGMKMAWWXRU-WBMJQRKESA-N -1 3 414.865 3.175 20 0 HGADHM COc1cccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N2CCCC2)c1 ZINC000780349507 939108087 /nfs/dbraw/zinc/10/80/87/939108087.db2.gz VSDLSCXSSWVZPN-VQTJNVASSA-N -1 3 403.523 3.165 20 0 HGADHM CCN(CC)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cccc(OC)c1 ZINC000780374345 939112290 /nfs/dbraw/zinc/11/22/90/939112290.db2.gz MYAAXJGWAKSOFY-VQTJNVASSA-N -1 3 405.539 3.411 20 0 HGADHM O=C(CCCOCc1ccccc1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268121 939816889 /nfs/dbraw/zinc/81/68/89/939816889.db2.gz NSPKJGITEDWTHA-DEOSSOPVSA-N -1 3 410.514 3.219 20 0 HGADHM O=C(/C=C\c1ccnc2ccccc12)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372185 939821926 /nfs/dbraw/zinc/82/19/26/939821926.db2.gz MVJUDRHTFXPZBU-MQCQLYSJSA-N -1 3 415.493 3.484 20 0 HGADHM Cc1ccc2c(CC(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c[nH]c2c1 ZINC001123372744 939822738 /nfs/dbraw/zinc/82/27/38/939822738.db2.gz SRMRVEUFIKJWHE-XMMPIXPASA-N -1 3 405.498 3.254 20 0 HGADHM COc1ccc([C@H](C)CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123372612 939822793 /nfs/dbraw/zinc/82/27/93/939822793.db2.gz RBTAQNQSOUGZQV-HOYKHHGWSA-N -1 3 410.514 3.424 20 0 HGADHM COc1ccc([C@H](C)CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123372613 939822821 /nfs/dbraw/zinc/82/28/21/939822821.db2.gz RBTAQNQSOUGZQV-KOSHJBKYSA-N -1 3 410.514 3.424 20 0 HGADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(-c2ccncc2)cc1F ZINC000426748712 1126086785 /nfs/dbraw/zinc/08/67/85/1126086785.db2.gz ZLNLVRPACYONBX-JOCHJYFZSA-N -1 3 417.444 3.254 20 0 HGADHM Cc1cc(C)cc(-n2ncc(CN[C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])n2)c1 ZINC000756332230 1126107196 /nfs/dbraw/zinc/10/71/96/1126107196.db2.gz GIZLPNDVXWVGLI-NRFANRHFSA-N -1 3 407.449 3.290 20 0 HGADHM Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC3)cn1 ZINC001164695030 719826358 /nfs/dbraw/zinc/82/63/58/719826358.db2.gz ALHOPOGRZQGLIV-NSHDSACASA-N -1 3 415.897 3.240 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164804960 721600143 /nfs/dbraw/zinc/60/01/43/721600143.db2.gz YZWZBHIFHCLOCN-UHFFFAOYSA-N -1 3 401.870 3.107 20 0 HGADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916116 721806707 /nfs/dbraw/zinc/80/67/07/721806707.db2.gz NTLLGMKMAWWXRU-LRDDRELGSA-N -1 3 414.865 3.175 20 0 HGADHM CCN(CC)[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cccc(OC)c1 ZINC000780374343 939112153 /nfs/dbraw/zinc/11/21/53/939112153.db2.gz MYAAXJGWAKSOFY-UXHICEINSA-N -1 3 405.539 3.411 20 0 HGADHM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123268592 939818032 /nfs/dbraw/zinc/81/80/32/939818032.db2.gz SSMROTZMJDVGSA-MZLICYQSSA-N -1 3 408.498 3.034 20 0 HGADHM COc1ccccc1C/C(C)=C/C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123371669 939821686 /nfs/dbraw/zinc/82/16/86/939821686.db2.gz AOXIPXDUJCCEJW-OJHGWFAHSA-N -1 3 422.525 3.420 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)CSCc2cccs2)CCCN(Cc2ccccc2)C1 ZINC001123372893 939823557 /nfs/dbraw/zinc/82/35/57/939823557.db2.gz YIYVINOFICCBIN-HXUWFJFHSA-N -1 3 404.557 3.217 20 0 HGADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc(Br)cc1F ZINC000426719356 1126082029 /nfs/dbraw/zinc/08/20/29/1126082029.db2.gz FZELHHBNCDDYQB-LLVKDONJSA-N -1 3 410.165 3.047 20 0 HGADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1ccn(-c2ccccc2)n1 ZINC000426763455 1126088978 /nfs/dbraw/zinc/08/89/78/1126088978.db2.gz SAWVNJMBMRLCIP-SFHVURJKSA-N -1 3 400.276 3.420 20 0 HGADHM O=C([O-])[C@@]1(NC(=O)CCc2cc(F)ccc2F)CCCN(Cc2ccccc2)C1 ZINC001123371731 939821631 /nfs/dbraw/zinc/82/16/31/939821631.db2.gz CKGOOKDIVGFHSM-JOCHJYFZSA-N -1 3 402.441 3.133 20 0 HGADHM Cc1nn(-c2ccccc2)cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372330 939822236 /nfs/dbraw/zinc/82/22/36/939822236.db2.gz LZRAGWKGWRXZQC-XMMPIXPASA-N -1 3 418.497 3.030 20 0 HGADHM COc1ccccc1[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001263627187 939828096 /nfs/dbraw/zinc/82/80/96/939828096.db2.gz BEGVCIZZWLNANL-KOSHJBKYSA-N -1 3 410.514 3.424 20 0 HGADHM COc1cc(Cl)c(CN[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1Cl ZINC000426742587 1126085805 /nfs/dbraw/zinc/08/58/05/1126085805.db2.gz KGTQYVFOSIYQRY-QGZVFWFLSA-N -1 3 421.284 3.368 20 0 HGADHM