smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000154964755 1015996894 /nfs/dbraw/zinc/99/68/94/1015996894.db2.gz FASVDBXFUQBSOR-WOJBJXKFSA-N 0 3 340.467 3.506 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1[O-] ZINC000275274085 1016249711 /nfs/dbraw/zinc/24/97/11/1016249711.db2.gz CNHRAQYGIGRRLB-WDEREUQCSA-N 0 3 338.249 3.608 20 10 EHCDHN CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1OC)c1ccccc1[O-] ZINC000155602130 1018569100 /nfs/dbraw/zinc/56/91/00/1018569100.db2.gz LVTBIRAWRCYICT-MRXNPFEDSA-N 0 3 345.439 3.701 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000280293737 1020261716 /nfs/dbraw/zinc/26/17/16/1020261716.db2.gz ZJRZYVQCTBWSAB-MOPGFXCFSA-N 0 3 338.451 3.542 20 10 EHCDHN CCCN(CCC)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000760448997 1032963931 /nfs/dbraw/zinc/96/39/31/1032963931.db2.gz CSEDENWUYBEKDP-MRXNPFEDSA-N 0 3 332.410 3.716 20 10 EHCDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760042821 1024235621 /nfs/dbraw/zinc/23/56/21/1024235621.db2.gz YOUQNYLAVLDRPA-HBFSDRIKSA-N 0 3 329.415 3.738 20 10 EHCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156881483 1024633282 /nfs/dbraw/zinc/63/32/82/1024633282.db2.gz DMKRALZQCVTZNA-CRAIPNDOSA-N 0 3 347.480 3.685 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2cncs2)c1[O-] ZINC000897932194 1033233261 /nfs/dbraw/zinc/23/32/61/1033233261.db2.gz JNCYPCQNEBUEHX-VIFPVBQESA-N 0 3 327.247 3.770 20 10 EHCDHN Cc1cc(Br)cc(CN[C@@H](C)c2cncs2)c1O ZINC000897932194 1033233268 /nfs/dbraw/zinc/23/32/68/1033233268.db2.gz JNCYPCQNEBUEHX-VIFPVBQESA-N 0 3 327.247 3.770 20 10 EHCDHN CC[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000157493014 1024935220 /nfs/dbraw/zinc/93/52/20/1024935220.db2.gz GBVHPULZTFTYQF-FQEVSTJZSA-N 0 3 326.488 3.897 20 10 EHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccncc2OCC(F)(F)F)c1 ZINC000281737030 1025437785 /nfs/dbraw/zinc/43/77/85/1025437785.db2.gz VFVRMADAIFQAEH-GFCCVEGCSA-N 0 3 340.345 3.888 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC000896532057 1025547678 /nfs/dbraw/zinc/54/76/78/1025547678.db2.gz SNSXWYZNCZJIJR-CQSZACIVSA-N 0 3 332.469 3.702 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c([O-])c1 ZINC000896532057 1025547687 /nfs/dbraw/zinc/54/76/87/1025547687.db2.gz SNSXWYZNCZJIJR-CQSZACIVSA-N 0 3 332.469 3.702 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1[O-] ZINC000896827624 1026103888 /nfs/dbraw/zinc/10/38/88/1026103888.db2.gz AGIAJJHGKOIBBR-LLVKDONJSA-N 0 3 333.815 3.667 20 10 EHCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000382464938 1028666204 /nfs/dbraw/zinc/66/62/04/1028666204.db2.gz ZSJAHPJMOPQDKB-BMFZPTHFSA-N 0 3 346.471 3.663 20 10 EHCDHN C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000273587900 1029827418 /nfs/dbraw/zinc/82/74/18/1029827418.db2.gz OHKIKSIZPDXEHP-LBPRGKRZSA-N 0 3 338.423 3.581 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCOc3ccccc32)c1[O-] ZINC000897386261 1031632792 /nfs/dbraw/zinc/63/27/92/1031632792.db2.gz UDEUGEQVSCWRCH-SFHVURJKSA-N 0 3 333.815 3.842 20 10 EHCDHN COc1cc(Cl)cc(CN[C@@]2(C)CCOc3ccccc32)c1O ZINC000897386261 1031632797 /nfs/dbraw/zinc/63/27/97/1031632797.db2.gz UDEUGEQVSCWRCH-SFHVURJKSA-N 0 3 333.815 3.842 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000179878873 1034935633 /nfs/dbraw/zinc/93/56/33/1034935633.db2.gz ZKDWAFWAPXMVKV-BZNIZROVSA-N 0 3 325.330 3.795 20 10 EHCDHN CN(C)c1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1F ZINC000780519398 1035928355 /nfs/dbraw/zinc/92/83/55/1035928355.db2.gz RSIPRVYJHPJVFC-UHFFFAOYSA-N 0 3 330.432 3.633 20 10 EHCDHN COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCCC2)cc1 ZINC000183382846 1038704955 /nfs/dbraw/zinc/70/49/55/1038704955.db2.gz NPDYYVXUJNYOFA-UZLBHIALSA-N 0 3 340.467 3.889 20 10 EHCDHN C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000152594952 1039723582 /nfs/dbraw/zinc/72/35/82/1039723582.db2.gz DANMYJUIUGBABQ-QGZVFWFLSA-N 0 3 334.467 3.848 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000925774817 1042874591 /nfs/dbraw/zinc/87/45/91/1042874591.db2.gz CSLFJCNPZSNLLY-BDAKNGLRSA-N 0 3 339.213 3.594 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccccc1[O-] ZINC000183626178 1125619215 /nfs/dbraw/zinc/61/92/15/1125619215.db2.gz DPEIHDXFZAQIJV-MRXNPFEDSA-N 0 3 341.451 3.939 20 10 EHCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N2CCCC2)o1 ZINC000185298440 1126857190 /nfs/dbraw/zinc/85/71/90/1126857190.db2.gz SRJZTIZVWMWHRM-PBHICJAKSA-N 0 3 332.419 3.920 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185455971 1126904407 /nfs/dbraw/zinc/90/44/07/1126904407.db2.gz YCCGBDBDIUYBOY-GXTWGEPZSA-N 0 3 338.423 3.581 20 10 EHCDHN Oc1ccccc1CN(Cc1ccc(F)c(F)c1)C[C@@H]1CCCO1 ZINC000072952790 1126948910 /nfs/dbraw/zinc/94/89/10/1126948910.db2.gz BLTSAKSFPPFUCV-INIZCTEOSA-N 0 3 333.378 3.852 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000764974480 1127559012 /nfs/dbraw/zinc/55/90/12/1127559012.db2.gz CZOUCQKUMZFVAX-GOSISDBHSA-N 0 3 345.874 3.503 20 10 EHCDHN C[C@@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765309602 1127597211 /nfs/dbraw/zinc/59/72/11/1127597211.db2.gz JBMTXRFKYAVNKS-UZLBHIALSA-N 0 3 339.483 3.623 20 10 EHCDHN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000765327667 1127597979 /nfs/dbraw/zinc/59/79/79/1127597979.db2.gz BFUMTKGVEGGJAL-IRXDYDNUSA-N 0 3 342.487 3.712 20 10 EHCDHN COc1ccc([C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3[O-])CCO2)cc1 ZINC001168605927 1128344117 /nfs/dbraw/zinc/34/41/17/1128344117.db2.gz FANKXVSGAONJMY-PTSWNOGYSA-N 0 3 327.424 3.972 20 10 EHCDHN CCN(CC)c1ccc(CNCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000920180411 1123327857 /nfs/dbraw/zinc/32/78/57/1123327857.db2.gz RXHFLDFNZURJEC-UHFFFAOYSA-N 0 3 345.874 3.915 20 10 EHCDHN C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1[O-] ZINC000179562651 1123797064 /nfs/dbraw/zinc/79/70/64/1123797064.db2.gz IJLKAQKXDUYOQM-UHFFFAOYSA-N 0 3 339.414 3.986 20 10 EHCDHN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1[O-] ZINC000179562651 1123797068 /nfs/dbraw/zinc/79/70/68/1123797068.db2.gz IJLKAQKXDUYOQM-UHFFFAOYSA-N 0 3 339.414 3.986 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179891755 1123882178 /nfs/dbraw/zinc/88/21/78/1123882178.db2.gz VPMDXLCSCMVNMG-XJKSGUPXSA-N 0 3 344.842 3.892 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2cccc3oc(C)nc32)c([O-])c1 ZINC000922770173 1129658870 /nfs/dbraw/zinc/65/88/70/1129658870.db2.gz GHLDVCXWUMCIEL-UHFFFAOYSA-N 0 3 326.396 3.573 20 10 EHCDHN CCCC[N@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1ccccc1[O-] ZINC000282407824 1129706687 /nfs/dbraw/zinc/70/66/87/1129706687.db2.gz IHVUGVYLKFIKJA-UHFFFAOYSA-N 0 3 338.455 3.785 20 10 EHCDHN CCCC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)Cc1ccccc1[O-] ZINC000282407824 1129706688 /nfs/dbraw/zinc/70/66/88/1129706688.db2.gz IHVUGVYLKFIKJA-UHFFFAOYSA-N 0 3 338.455 3.785 20 10 EHCDHN CO[C@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])COCc1ccccc1 ZINC000702843214 1130255925 /nfs/dbraw/zinc/25/59/25/1130255925.db2.gz BYODPADBULHTJN-OXJNMPFZSA-N 0 3 329.440 3.665 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1c(C)cccc1C ZINC000727830691 1130597472 /nfs/dbraw/zinc/59/74/72/1130597472.db2.gz HGMAVSOMEQQYJV-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1c(C)cccc1C ZINC000727830691 1130597474 /nfs/dbraw/zinc/59/74/74/1130597474.db2.gz HGMAVSOMEQQYJV-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN Cc1cc(O)c(CN2CCCN(CC(F)(F)F)CC2)cc1C(C)C ZINC000738067153 1131459076 /nfs/dbraw/zinc/45/90/76/1131459076.db2.gz HIANSRXWYGWGQN-UHFFFAOYSA-N 0 3 344.421 3.894 20 10 EHCDHN CCN(C)c1ccc(CN(C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000741753112 1131643743 /nfs/dbraw/zinc/64/37/43/1131643743.db2.gz NOFVSVRCKYCDHO-UHFFFAOYSA-N 0 3 326.440 3.546 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000743870685 1131995074 /nfs/dbraw/zinc/99/50/74/1131995074.db2.gz ZSSJPMZVESRBHM-MRXNPFEDSA-N 0 3 338.451 3.582 20 10 EHCDHN CC[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766610569 1132676657 /nfs/dbraw/zinc/67/66/57/1132676657.db2.gz VORQRYVOOATHII-VQTJNVASSA-N 0 3 337.467 3.599 20 10 EHCDHN COc1ccc(CN[C@@H](Cc2nccn2C)c2ccccc2)cc1C ZINC000742388960 1133063167 /nfs/dbraw/zinc/06/31/67/1133063167.db2.gz VESSEFHMRFTAMB-IBGZPJMESA-N 0 3 335.451 3.811 20 10 EHCDHN CCCN(CCC)c1ccc(CN2CCC(C(=O)OC)CC2)cc1 ZINC000768152777 1133101795 /nfs/dbraw/zinc/10/17/95/1133101795.db2.gz OYIXGASSIBFMSD-UHFFFAOYSA-N 0 3 332.488 3.698 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2c(c1)COC2)C[C@@H]1CCCO1 ZINC000768163270 1133103223 /nfs/dbraw/zinc/10/32/23/1133103223.db2.gz XLMNIXIITPYDNF-FQEVSTJZSA-N 0 3 339.435 3.604 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2c(c1)COC2)C[C@@H]1CCCO1 ZINC000768163270 1133103226 /nfs/dbraw/zinc/10/32/26/1133103226.db2.gz XLMNIXIITPYDNF-FQEVSTJZSA-N 0 3 339.435 3.604 20 10 EHCDHN CCOC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000768358423 1133129316 /nfs/dbraw/zinc/12/93/16/1133129316.db2.gz UQDHFRZIJVXTTF-UHFFFAOYSA-N 0 3 344.455 3.933 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCc2ccccc21 ZINC000768443247 1133139290 /nfs/dbraw/zinc/13/92/90/1133139290.db2.gz BZGITQFBZFWJFW-ICSRJNTNSA-N 0 3 339.435 3.718 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCc2ccccc21 ZINC000768443247 1133139292 /nfs/dbraw/zinc/13/92/92/1133139292.db2.gz BZGITQFBZFWJFW-ICSRJNTNSA-N 0 3 339.435 3.718 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768440924 1133139471 /nfs/dbraw/zinc/13/94/71/1133139471.db2.gz HUHGMJDTKWGKMS-FUHWJXTLSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768440924 1133139476 /nfs/dbraw/zinc/13/94/76/1133139476.db2.gz HUHGMJDTKWGKMS-FUHWJXTLSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768440924 1133139480 /nfs/dbraw/zinc/13/94/80/1133139480.db2.gz HUHGMJDTKWGKMS-FUHWJXTLSA-N 0 3 345.826 3.809 20 10 EHCDHN CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447934 1133140346 /nfs/dbraw/zinc/14/03/46/1133140346.db2.gz RSHOCHWQVMVTPO-AZUAARDMSA-N 0 3 327.424 3.647 20 10 EHCDHN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447934 1133140348 /nfs/dbraw/zinc/14/03/48/1133140348.db2.gz RSHOCHWQVMVTPO-AZUAARDMSA-N 0 3 327.424 3.647 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000769314097 1133259988 /nfs/dbraw/zinc/25/99/88/1133259988.db2.gz DFFKGVLAPYRCBM-HXUWFJFHSA-N 0 3 327.424 3.755 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000769314097 1133259992 /nfs/dbraw/zinc/25/99/92/1133259992.db2.gz DFFKGVLAPYRCBM-HXUWFJFHSA-N 0 3 327.424 3.755 20 10 EHCDHN COc1cccc(C[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)c1[O-] ZINC000769492205 1133291436 /nfs/dbraw/zinc/29/14/36/1133291436.db2.gz HCNPDIWOEADMJB-VMWRSERWSA-N 0 3 333.472 3.961 20 10 EHCDHN COc1cccc(C[N@@H+](C[C@H]2CCCO2)C2CCC(C)CC2)c1[O-] ZINC000769492205 1133291443 /nfs/dbraw/zinc/29/14/43/1133291443.db2.gz HCNPDIWOEADMJB-VMWRSERWSA-N 0 3 333.472 3.961 20 10 EHCDHN COc1cccc(O)c1CN1CCSC[C@H]1c1ccc(C)cc1 ZINC000769446370 1133292680 /nfs/dbraw/zinc/29/26/80/1133292680.db2.gz MKYDNKUYNHVJQS-KRWDZBQOSA-N 0 3 329.465 3.999 20 10 EHCDHN COCC[N@H+](Cc1ccc(C)cc1C)Cc1c(C)cc(OC)cc1[O-] ZINC001180017505 1133317455 /nfs/dbraw/zinc/31/74/55/1133317455.db2.gz DDWXURLNYFRXDV-UHFFFAOYSA-N 0 3 343.467 3.975 20 10 EHCDHN COCC[N@@H+](Cc1ccc(C)cc1C)Cc1c(C)cc(OC)cc1[O-] ZINC001180017505 1133317462 /nfs/dbraw/zinc/31/74/62/1133317462.db2.gz DDWXURLNYFRXDV-UHFFFAOYSA-N 0 3 343.467 3.975 20 10 EHCDHN C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1 ZINC000770505223 1133436239 /nfs/dbraw/zinc/43/62/39/1133436239.db2.gz JRWKZXHZPWREFO-OAHLLOKOSA-N 0 3 330.859 3.924 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000771200874 1133518868 /nfs/dbraw/zinc/51/88/68/1133518868.db2.gz ZMPVROFERIRLJQ-HSZRJFAPSA-N 0 3 345.442 3.983 20 10 EHCDHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771387118 1133550730 /nfs/dbraw/zinc/55/07/30/1133550730.db2.gz IDOKTYBEGUPBQG-DLBZAZTESA-N 0 3 325.456 3.638 20 10 EHCDHN CCN(C)c1ccc(CN2CCC(Oc3ncccc3F)CC2)cc1 ZINC000773975692 1133569937 /nfs/dbraw/zinc/56/99/37/1133569937.db2.gz JTJQDQMIJDGPLC-UHFFFAOYSA-N 0 3 343.446 3.720 20 10 EHCDHN O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2[O-])cc(C(F)(F)F)c1 ZINC000785523320 1133717221 /nfs/dbraw/zinc/71/72/21/1133717221.db2.gz ZKKVSKRKBYDZLE-UHFFFAOYSA-N 0 3 326.274 3.609 20 10 EHCDHN O=[N+]([O-])c1cc(CNCc2ccccc2O)cc(C(F)(F)F)c1 ZINC000785523320 1133717223 /nfs/dbraw/zinc/71/72/23/1133717223.db2.gz ZKKVSKRKBYDZLE-UHFFFAOYSA-N 0 3 326.274 3.609 20 10 EHCDHN C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CCCC1 ZINC000788550055 1134141852 /nfs/dbraw/zinc/14/18/52/1134141852.db2.gz WZEYSDQCWNZDPP-CHWSQXEVSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000788777965 1134174893 /nfs/dbraw/zinc/17/48/93/1134174893.db2.gz QNCMNBORUPPMJP-GOEBONIOSA-N 0 3 349.421 3.789 20 10 EHCDHN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000789767788 1134329440 /nfs/dbraw/zinc/32/94/40/1134329440.db2.gz AHHDSEAIUODINO-UHFFFAOYSA-N 0 3 345.874 3.958 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c1[O-] ZINC000790701758 1134455375 /nfs/dbraw/zinc/45/53/75/1134455375.db2.gz NGLWTOMHDULDTN-NHYWBVRUSA-N 0 3 344.293 3.909 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000790935528 1134479955 /nfs/dbraw/zinc/47/99/55/1134479955.db2.gz YJMCBUOVVDDDNH-DOMZBBRYSA-N 0 3 342.277 3.589 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000790935528 1134479961 /nfs/dbraw/zinc/47/99/61/1134479961.db2.gz YJMCBUOVVDDDNH-DOMZBBRYSA-N 0 3 342.277 3.589 20 10 EHCDHN CCOc1ccc(CN[C@H]2CCOc3ccc(OCC)cc32)c(O)c1 ZINC000775345593 1134657500 /nfs/dbraw/zinc/65/75/00/1134657500.db2.gz PNUUUJDFGCZHBZ-SFHVURJKSA-N 0 3 343.423 3.803 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H]2CCOc3ccc(OCC)cc32)c([O-])c1 ZINC000775345593 1134657505 /nfs/dbraw/zinc/65/75/05/1134657505.db2.gz PNUUUJDFGCZHBZ-SFHVURJKSA-N 0 3 343.423 3.803 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000793371300 1134914046 /nfs/dbraw/zinc/91/40/46/1134914046.db2.gz DSLXMAHBFBVAOF-UHFFFAOYSA-N 0 3 325.330 3.666 20 10 EHCDHN COc1ccc(CNCc2cc(C(F)(F)F)ccc2F)c(O)c1 ZINC000793386510 1134920825 /nfs/dbraw/zinc/92/08/25/1134920825.db2.gz URURRWQANKUFHG-UHFFFAOYSA-N 0 3 329.293 3.849 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000793608028 1134968525 /nfs/dbraw/zinc/96/85/25/1134968525.db2.gz HIVHJARDPBFIJH-SJORKVTESA-N 0 3 342.405 3.915 20 10 EHCDHN Cc1cccc(CN2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c1O ZINC000775676199 1135500584 /nfs/dbraw/zinc/50/05/84/1135500584.db2.gz OLGXMZGREKVXFB-HNNXBMFYSA-N 0 3 346.421 3.858 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000775739184 1135596820 /nfs/dbraw/zinc/59/68/20/1135596820.db2.gz MJXJLNZTSKVEAU-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000775739184 1135596831 /nfs/dbraw/zinc/59/68/31/1135596831.db2.gz MJXJLNZTSKVEAU-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000775739184 1135596836 /nfs/dbraw/zinc/59/68/36/1135596836.db2.gz MJXJLNZTSKVEAU-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000775739184 1135596841 /nfs/dbraw/zinc/59/68/41/1135596841.db2.gz MJXJLNZTSKVEAU-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1[O-] ZINC000808683836 1135710710 /nfs/dbraw/zinc/71/07/10/1135710710.db2.gz KDNRDDGSBHEEEP-ZJUUUORDSA-N 0 3 325.758 3.972 20 10 EHCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808681209 1135710717 /nfs/dbraw/zinc/71/07/17/1135710717.db2.gz WVQSKBSWLUNKEG-GOEBONIOSA-N 0 3 349.858 3.753 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c1[O-] ZINC000808672928 1135713955 /nfs/dbraw/zinc/71/39/55/1135713955.db2.gz HIJQHJRJQJPYKM-ZFWWWQNUSA-N 0 3 327.852 3.590 20 10 EHCDHN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808676678 1135714880 /nfs/dbraw/zinc/71/48/80/1135714880.db2.gz PKGHFEKGYXKDQS-ZDUSSCGKSA-N 0 3 346.858 3.955 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000808710063 1135718506 /nfs/dbraw/zinc/71/85/06/1135718506.db2.gz LKGQKVXFXUYRMP-GXTWGEPZSA-N 0 3 325.836 3.690 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000808715413 1135719978 /nfs/dbraw/zinc/71/99/78/1135719978.db2.gz DCGGYENAIDDIHB-RYUDHWBXSA-N 0 3 342.867 3.918 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000808717941 1135721165 /nfs/dbraw/zinc/72/11/65/1135721165.db2.gz IQDBHVQKMAKLDU-NEPJUHHUSA-N 0 3 342.867 3.918 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1[O-] ZINC000808702629 1135726697 /nfs/dbraw/zinc/72/66/97/1135726697.db2.gz KVPTYXBRACRCQQ-SNVBAGLBSA-N 0 3 347.768 3.964 20 10 EHCDHN CC(C)CN(CC(C)C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835453 1135794584 /nfs/dbraw/zinc/79/45/84/1135794584.db2.gz YZMJOIFIXIKELZ-KRWDZBQOSA-N 0 3 333.520 3.544 20 10 EHCDHN CC(C)N(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775836028 1135796420 /nfs/dbraw/zinc/79/64/20/1135796420.db2.gz XMYMADUPRREAMR-QGZVFWFLSA-N 0 3 339.483 3.845 20 10 EHCDHN CC[C@H](c1ccccc1OC)N(C)Cc1cc2c(cc1O)OCO2 ZINC000809780805 1135890879 /nfs/dbraw/zinc/89/08/79/1135890879.db2.gz KCCIVCFFBIHQSO-OAHLLOKOSA-N 0 3 329.396 3.713 20 10 EHCDHN CCOc1cccc(CN2Cc3ccccc3OC(C)(C)C2)c1O ZINC000809789711 1135892093 /nfs/dbraw/zinc/89/20/93/1135892093.db2.gz AJYQAHOYWGHLGM-UHFFFAOYSA-N 0 3 327.424 3.964 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253837 1135948728 /nfs/dbraw/zinc/94/87/28/1135948728.db2.gz DWNRRAZSBIASEQ-AAEUAGOBSA-N 0 3 339.361 3.732 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253837 1135948731 /nfs/dbraw/zinc/94/87/31/1135948731.db2.gz DWNRRAZSBIASEQ-AAEUAGOBSA-N 0 3 339.361 3.732 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000811518552 1136098111 /nfs/dbraw/zinc/09/81/11/1136098111.db2.gz NUPUZKZYQGJHMH-FQEVSTJZSA-N 0 3 341.451 3.612 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)c2c1 ZINC000811777883 1136134192 /nfs/dbraw/zinc/13/41/92/1136134192.db2.gz KPEBBMCFJBQBQW-UXHICEINSA-N 0 3 341.451 3.943 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)c2c1 ZINC000811777883 1136134195 /nfs/dbraw/zinc/13/41/95/1136134195.db2.gz KPEBBMCFJBQBQW-UXHICEINSA-N 0 3 341.451 3.943 20 10 EHCDHN COc1cc(CNCc2ccc(C)c(C)n2)c(O)c(C(C)(C)C)c1 ZINC000850324772 1136235570 /nfs/dbraw/zinc/23/55/70/1136235570.db2.gz VXAXVCSVNSAJKU-UHFFFAOYSA-N 0 3 328.456 4.000 20 10 EHCDHN C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000850355151 1136240252 /nfs/dbraw/zinc/24/02/52/1136240252.db2.gz HBDHYUWFMRWTFW-GLDPYIMESA-N 0 3 343.492 3.839 20 10 EHCDHN Cn1nc2c(c1C[NH2+]Cc1cc(-c3ccccc3)ccc1[O-])CCCC2 ZINC000812773763 1136245302 /nfs/dbraw/zinc/24/53/02/1136245302.db2.gz QRWCLZJGDLUHRC-UHFFFAOYSA-N 0 3 347.462 3.961 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(Cl)cn3)C2)cc1 ZINC000850488888 1136269987 /nfs/dbraw/zinc/26/99/87/1136269987.db2.gz OZCFFQYJTDLCIW-ZFWWWQNUSA-N 0 3 331.847 3.673 20 10 EHCDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850502847 1136272848 /nfs/dbraw/zinc/27/28/48/1136272848.db2.gz RWVBRUKTDPPMND-CXUGXGMPSA-N 0 3 341.879 3.571 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000850531184 1136280069 /nfs/dbraw/zinc/28/00/69/1136280069.db2.gz CRBNMJGZUHTBML-YVLXSGLVSA-N 0 3 331.790 3.819 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1[O-] ZINC000850568010 1136288146 /nfs/dbraw/zinc/28/81/46/1136288146.db2.gz NWQJMYLGOFVBOG-FQEVSTJZSA-N 0 3 340.467 3.594 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(OC)cc3c2O[C@@H](C)C3)c1 ZINC000813331984 1136319096 /nfs/dbraw/zinc/31/90/96/1136319096.db2.gz YTSKCQFFDVOCDQ-STQMWFEESA-N 0 3 343.423 3.584 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)c1cccc(F)c1 ZINC000109761233 1136339393 /nfs/dbraw/zinc/33/93/93/1136339393.db2.gz SOIRDXXCFWTNGM-HXUWFJFHSA-N 0 3 341.382 3.860 20 10 EHCDHN COCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000813883998 1136372482 /nfs/dbraw/zinc/37/24/82/1136372482.db2.gz ZBPWPSXWGZHZMV-NSHDSACASA-N 0 3 330.266 3.786 20 10 EHCDHN Oc1cc2c(cc1CN1CC3(CCOCC3)[C@H]1c1ccco1)CCC2 ZINC000853552002 1136544289 /nfs/dbraw/zinc/54/42/89/1136544289.db2.gz RHMBZTHEAPJXGJ-HXUWFJFHSA-N 0 3 339.435 3.828 20 10 EHCDHN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000815561348 1136610773 /nfs/dbraw/zinc/61/07/73/1136610773.db2.gz DYSFOONYABHONQ-OAHLLOKOSA-N 0 3 346.421 3.961 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586230 1136615086 /nfs/dbraw/zinc/61/50/86/1136615086.db2.gz BXUFGTFWULWTSB-AVGNSLFASA-N 0 3 330.394 3.934 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000815620488 1136619980 /nfs/dbraw/zinc/61/99/80/1136619980.db2.gz SKMOJCSXPRHOEE-RRMPHLOHSA-N 0 3 343.442 3.965 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000776817318 1136707846 /nfs/dbraw/zinc/70/78/46/1136707846.db2.gz UPIQLCGVXLPBSP-CQSZACIVSA-N 0 3 325.330 3.837 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000816627711 1136739263 /nfs/dbraw/zinc/73/92/63/1136739263.db2.gz VCHKPAXNMMGFOE-ZDUSSCGKSA-N 0 3 344.386 3.729 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000816659603 1136745740 /nfs/dbraw/zinc/74/57/40/1136745740.db2.gz UFWALLXMFJHJNR-OAHLLOKOSA-N 0 3 333.815 3.708 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000816659603 1136745743 /nfs/dbraw/zinc/74/57/43/1136745743.db2.gz UFWALLXMFJHJNR-OAHLLOKOSA-N 0 3 333.815 3.708 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817972573 1136853794 /nfs/dbraw/zinc/85/37/94/1136853794.db2.gz XYBDAOPHKCVCQJ-KKZNHRDASA-N 0 3 347.684 3.599 20 10 EHCDHN CC[C@H]([NH2+]C[C@@]1(COC)CCCN1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974649 1136853913 /nfs/dbraw/zinc/85/39/13/1136853913.db2.gz NBSCMZSFHISVGK-GOEBONIOSA-N 0 3 347.286 3.508 20 10 EHCDHN CC[C@@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357020 1136875829 /nfs/dbraw/zinc/87/58/29/1136875829.db2.gz URFQYMBAJOUOEX-BXKDBHETSA-N 0 3 338.404 3.576 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000858449526 1136968510 /nfs/dbraw/zinc/96/85/10/1136968510.db2.gz NPFFNPWBGONYEW-ZFWWWQNUSA-N 0 3 327.350 3.741 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000824672955 1137147645 /nfs/dbraw/zinc/14/76/45/1137147645.db2.gz LCNVCJJXFIGQTR-HNNXBMFYSA-N 0 3 325.330 3.624 20 10 EHCDHN COc1cc(O)c(CNCc2csc(C(F)(F)F)c2)cc1OC ZINC000862536401 1137148482 /nfs/dbraw/zinc/14/84/82/1137148482.db2.gz LIMKZEVVXOIGLI-UHFFFAOYSA-N 0 3 347.358 3.780 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c([O-])c1 ZINC000825084451 1137164860 /nfs/dbraw/zinc/16/48/60/1137164860.db2.gz FLSKERZYLNVPOI-RHSMWYFYSA-N 0 3 333.453 3.862 20 10 EHCDHN CC[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc(C)cc1[O-] ZINC000794798134 1137251607 /nfs/dbraw/zinc/25/16/07/1137251607.db2.gz SQIANYLTDKTBDQ-UYAOXDASSA-N 0 3 326.484 3.914 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794800934 1137252094 /nfs/dbraw/zinc/25/20/94/1137252094.db2.gz FSTHQTXQULEBAQ-VQIMIIECSA-N 0 3 331.431 3.732 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(C)cc1[O-] ZINC000794793577 1137252311 /nfs/dbraw/zinc/25/23/11/1137252311.db2.gz CROPWXQDRNDTFV-LJQANCHMSA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794812972 1137262346 /nfs/dbraw/zinc/26/23/46/1137262346.db2.gz ADSPRPDNBOIQJU-GOEBONIOSA-N 0 3 336.476 3.902 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794813728 1137262584 /nfs/dbraw/zinc/26/25/84/1137262584.db2.gz IWWOGRKBQJFHIZ-DNVCBOLYSA-N 0 3 349.421 3.871 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000794818767 1137266432 /nfs/dbraw/zinc/26/64/32/1137266432.db2.gz YNCQCEXNVIZDGL-ZOBUZTSGSA-N 0 3 334.460 3.608 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000865693709 1137304729 /nfs/dbraw/zinc/30/47/29/1137304729.db2.gz OJASHHJJGOHJFT-USXIJHARSA-N 0 3 330.225 3.583 20 10 EHCDHN COc1cccc([C@H](C)NCc2cc3c(cc2OC)C[C@H](C)O3)c1O ZINC000846137755 1137338067 /nfs/dbraw/zinc/33/80/67/1137338067.db2.gz GOTSPRRPHUDVLH-STQMWFEESA-N 0 3 343.423 3.584 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@@H](O)C(F)F ZINC000866442505 1137355139 /nfs/dbraw/zinc/35/51/39/1137355139.db2.gz NJOTZFFYUGKWEE-SJLPKXTDSA-N 0 3 335.394 3.672 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866533635 1137362354 /nfs/dbraw/zinc/36/23/54/1137362354.db2.gz SSNPMKHZOSEGMU-DZGCQCFKSA-N 0 3 339.863 3.590 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ccnn2C)c1[O-] ZINC000866615022 1137369621 /nfs/dbraw/zinc/36/96/21/1137369621.db2.gz SCIGUJYRBOLCLI-WDEREUQCSA-N 0 3 338.249 3.608 20 10 EHCDHN Cc1cnccc1OC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000773334910 1137491149 /nfs/dbraw/zinc/49/11/49/1137491149.db2.gz MFCOKMHOVQRPFC-UHFFFAOYSA-N 0 3 349.434 3.687 20 10 EHCDHN CCCOc1ccc(CNCc2ccc(-n3ccnc3)nc2)cc1C ZINC000873010537 1137588078 /nfs/dbraw/zinc/58/80/78/1137588078.db2.gz JFXDTAFKUZEYFT-UHFFFAOYSA-N 0 3 336.439 3.654 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(O)cc2Cl)c1 ZINC000877533338 1137680151 /nfs/dbraw/zinc/68/01/51/1137680151.db2.gz MVNXGICLFZIJOQ-SNVBAGLBSA-N 0 3 337.803 3.619 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877694839 1137686122 /nfs/dbraw/zinc/68/61/22/1137686122.db2.gz HDHSDQLCEWLRDO-WKILWMFISA-N 0 3 334.460 3.626 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(CCOCC2)O1 ZINC000878566034 1137720566 /nfs/dbraw/zinc/72/05/66/1137720566.db2.gz YWOUWLHEVWPTGJ-SFHVURJKSA-N 0 3 333.472 3.723 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(CCOCC2)O1 ZINC000878566034 1137720567 /nfs/dbraw/zinc/72/05/67/1137720567.db2.gz YWOUWLHEVWPTGJ-SFHVURJKSA-N 0 3 333.472 3.723 20 10 EHCDHN C[C@@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)c1ccccc1[O-] ZINC000879648924 1137753617 /nfs/dbraw/zinc/75/36/17/1137753617.db2.gz GOEHPCRXEGHETG-PXAZEXFGSA-N 0 3 328.437 3.546 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879650049 1137753759 /nfs/dbraw/zinc/75/37/59/1137753759.db2.gz YYMUXLPTPGSCEF-DNVCBOLYSA-N 0 3 338.451 3.579 20 10 EHCDHN CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879652106 1137753966 /nfs/dbraw/zinc/75/39/66/1137753966.db2.gz WGNDJKMNDBVCKF-XOBRGWDASA-N 0 3 344.430 3.695 20 10 EHCDHN CC[C@H](NCc1ccnc(-c2ccccn2)n1)c1ccc(N(C)C)cc1 ZINC000883292701 1137853117 /nfs/dbraw/zinc/85/31/17/1137853117.db2.gz WWHOLACPZBWFJQ-IBGZPJMESA-N 0 3 347.466 3.846 20 10 EHCDHN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1O ZINC000083170135 1138174825 /nfs/dbraw/zinc/17/48/25/1138174825.db2.gz IPVJIQIFBWUUCW-UHFFFAOYSA-N 0 3 341.367 3.854 20 10 EHCDHN CC[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000090666439 1138212896 /nfs/dbraw/zinc/21/28/96/1138212896.db2.gz RBWYOTFPWLJTJC-HNNXBMFYSA-N 0 3 340.393 3.746 20 10 EHCDHN CCc1nc2c(s1)[C@@H](N(C)Cc1cccc(OC)c1O)CCC2 ZINC000093767985 1138240827 /nfs/dbraw/zinc/24/08/27/1138240827.db2.gz KILQKVAJGNJPHG-AWEZNQCLSA-N 0 3 332.469 3.929 20 10 EHCDHN CCc1nc2c(s1)[C@@H](N(C)Cc1cc(OC)ccc1O)CCC2 ZINC000180544646 1139843762 /nfs/dbraw/zinc/84/37/62/1139843762.db2.gz LUIHSZNFBBHRPG-HNNXBMFYSA-N 0 3 332.469 3.929 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCCOC1 ZINC000183050694 1140010059 /nfs/dbraw/zinc/01/00/59/1140010059.db2.gz LVQPCIJPLRBFLU-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCCOC1 ZINC000183050694 1140010064 /nfs/dbraw/zinc/01/00/64/1140010064.db2.gz LVQPCIJPLRBFLU-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN CC(C)C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1nccs1 ZINC000183635645 1140051102 /nfs/dbraw/zinc/05/11/02/1140051102.db2.gz GEEZAGCMEHUMLE-GXTWGEPZSA-N 0 3 333.457 3.553 20 10 EHCDHN CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184914048 1140125729 /nfs/dbraw/zinc/12/57/29/1140125729.db2.gz ODHDBLINKDKJNV-CYBMUJFWSA-N 0 3 330.403 3.977 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c([O-])c1 ZINC000185090747 1140135757 /nfs/dbraw/zinc/13/57/57/1140135757.db2.gz ARHJYBYRZSHOIP-INIZCTEOSA-N 0 3 338.451 3.674 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000185111967 1140136327 /nfs/dbraw/zinc/13/63/27/1140136327.db2.gz OFJVARWEXZYQIL-CQSZACIVSA-N 0 3 342.414 3.899 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000190303714 1140397609 /nfs/dbraw/zinc/39/76/09/1140397609.db2.gz TYIWBQXOJQAQPI-XLIONFOSSA-N 0 3 341.451 3.612 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000266850991 1140729899 /nfs/dbraw/zinc/72/98/99/1140729899.db2.gz IUSHNGSKMTUJHN-HNNXBMFYSA-N 0 3 328.431 3.638 20 10 EHCDHN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000269109534 1141066316 /nfs/dbraw/zinc/06/63/16/1141066316.db2.gz VPEUIVSHKPYALK-SSKFGXFMSA-N 0 3 336.479 3.986 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000359874312 201115121 /nfs/dbraw/zinc/11/51/21/201115121.db2.gz RFPFCDWPSHWPCC-YYFZDKIDSA-N 0 3 328.431 3.875 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000155514437 1018101426 /nfs/dbraw/zinc/10/14/26/1018101426.db2.gz DYLFJYFBKWXSAT-SJLPKXTDSA-N 0 3 340.467 3.968 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1ccc(C)cc1[O-] ZINC000279968289 1019012056 /nfs/dbraw/zinc/01/20/56/1019012056.db2.gz CVRKARTZAZNGBF-GOSISDBHSA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000280077417 1020065016 /nfs/dbraw/zinc/06/50/16/1020065016.db2.gz LMVFYCVVWQFENQ-DZGCQCFKSA-N 0 3 330.394 3.626 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(C)cc1[O-] ZINC000280115315 1020096973 /nfs/dbraw/zinc/09/69/73/1020096973.db2.gz NVSZLTZJHPYOCC-GOSISDBHSA-N 0 3 325.456 3.937 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000280138130 1020104907 /nfs/dbraw/zinc/10/49/07/1020104907.db2.gz PLTFMIMGCRTWML-SUMWQHHRSA-N 0 3 327.428 3.993 20 10 EHCDHN CCCN(CC(=O)Nc1ccccc1C)Cc1cc(C)ccc1O ZINC000160740807 1020367837 /nfs/dbraw/zinc/36/78/37/1020367837.db2.gz HHSLSSIRCRIJCU-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN CCC1(c2ccccc2)CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894864934 1021519056 /nfs/dbraw/zinc/51/90/56/1021519056.db2.gz SOPSNVWCKFRJRL-UHFFFAOYSA-N 0 3 327.424 3.573 20 10 EHCDHN COC1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000891468741 1021702510 /nfs/dbraw/zinc/70/25/10/1021702510.db2.gz XAAVVWIXRFNYJZ-NKELODKYSA-N 0 3 333.472 3.578 20 10 EHCDHN COC1CCC(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000891468741 1021702518 /nfs/dbraw/zinc/70/25/18/1021702518.db2.gz XAAVVWIXRFNYJZ-NKELODKYSA-N 0 3 333.472 3.578 20 10 EHCDHN CCCOc1ccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c(O)c1 ZINC000277060385 1023727896 /nfs/dbraw/zinc/72/78/96/1023727896.db2.gz BRYZESOXSVVCNS-OLZOCXBDSA-N 0 3 332.448 3.663 20 10 EHCDHN COc1cc(C)cc(CNCc2cccc(OC3CC3)c2F)c1O ZINC000895256369 1024125776 /nfs/dbraw/zinc/12/57/76/1024125776.db2.gz FUMIPDPSAPDOIO-UHFFFAOYSA-N 0 3 331.387 3.679 20 10 EHCDHN COc1cccc(CNCc2ccccc2OCC(F)(F)F)c1O ZINC000237225188 1024433172 /nfs/dbraw/zinc/43/31/72/1024433172.db2.gz UALGFMPINUEIBF-UHFFFAOYSA-N 0 3 341.329 3.632 20 10 EHCDHN Cc1nc([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)no1 ZINC000896239799 1025281386 /nfs/dbraw/zinc/28/13/86/1025281386.db2.gz LVJBYDSPLRVKJM-QGZVFWFLSA-N 0 3 335.407 3.740 20 10 EHCDHN Cc1nc([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)no1 ZINC000896239799 1025281393 /nfs/dbraw/zinc/28/13/93/1025281393.db2.gz LVJBYDSPLRVKJM-QGZVFWFLSA-N 0 3 335.407 3.740 20 10 EHCDHN CCOC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848547467 1025916338 /nfs/dbraw/zinc/91/63/38/1025916338.db2.gz PHOTYHVMVCTEFI-JTQLQIEISA-N 0 3 346.265 3.629 20 10 EHCDHN C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273610445 1027517939 /nfs/dbraw/zinc/51/79/39/1027517939.db2.gz VREYAAQJUOPBRN-AWEZNQCLSA-N 0 3 347.459 3.748 20 10 EHCDHN C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273610445 1027517947 /nfs/dbraw/zinc/51/79/47/1027517947.db2.gz VREYAAQJUOPBRN-AWEZNQCLSA-N 0 3 347.459 3.748 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc(N(C)C)cc2C)cn1 ZINC000840930153 1027809025 /nfs/dbraw/zinc/80/90/25/1027809025.db2.gz JSBBAGKVFZAXSU-UHFFFAOYSA-N 0 3 326.488 3.592 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](CCc1cnn(C)c1)Cc1ccccc1[O-] ZINC000272081737 1029302479 /nfs/dbraw/zinc/30/24/79/1029302479.db2.gz WLCIQFSKSWGSFM-KRWDZBQOSA-N 0 3 335.451 3.932 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](CCc1cnn(C)c1)Cc1ccccc1[O-] ZINC000272081737 1029302492 /nfs/dbraw/zinc/30/24/92/1029302492.db2.gz WLCIQFSKSWGSFM-KRWDZBQOSA-N 0 3 335.451 3.932 20 10 EHCDHN C[C@@H](NCc1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131757304 1031142483 /nfs/dbraw/zinc/14/24/83/1031142483.db2.gz OGWFLGZUORKQCJ-CQSZACIVSA-N 0 3 332.394 3.652 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000179942539 1031823387 /nfs/dbraw/zinc/82/33/87/1031823387.db2.gz HEGPLGLTVSZIPD-UHFFFAOYSA-N 0 3 325.387 3.787 20 10 EHCDHN COc1cc(Cl)cc(CNCc2ccc3c(n2)CCCC3)c1O ZINC000278698599 1032043094 /nfs/dbraw/zinc/04/30/94/1032043094.db2.gz NLEXMUBULCXRML-UHFFFAOYSA-N 0 3 332.831 3.618 20 10 EHCDHN Cc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc(C)n1 ZINC000780544417 1034248709 /nfs/dbraw/zinc/24/87/09/1034248709.db2.gz DZWFFTNFHAAFKB-INIZCTEOSA-N 0 3 346.862 3.529 20 10 EHCDHN Cc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc(C)n1 ZINC000780544417 1034248724 /nfs/dbraw/zinc/24/87/24/1034248724.db2.gz DZWFFTNFHAAFKB-INIZCTEOSA-N 0 3 346.862 3.529 20 10 EHCDHN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000186152923 1035591498 /nfs/dbraw/zinc/59/14/98/1035591498.db2.gz SVCJWGWCARTTFG-HUUCEWRRSA-N 0 3 343.446 3.803 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000176981428 1037321792 /nfs/dbraw/zinc/32/17/92/1037321792.db2.gz HZGHLTIZQZGBGS-ZDUSSCGKSA-N 0 3 328.387 3.509 20 10 EHCDHN COc1ccc(N2CCC(NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000378406297 1038595315 /nfs/dbraw/zinc/59/53/15/1038595315.db2.gz UWNJOEYYRNHIPT-UHFFFAOYSA-N 0 3 343.496 3.788 20 10 EHCDHN Cc1nc(CC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)no1 ZINC000905734874 1039069151 /nfs/dbraw/zinc/06/91/51/1039069151.db2.gz HPXMEHXKVIAGJJ-UHFFFAOYSA-N 0 3 337.423 3.692 20 10 EHCDHN CCN(C)c1ccc([C@H](C)N[C@H](CCO)c2ccc(OC)cc2)cc1 ZINC000245674532 1040165725 /nfs/dbraw/zinc/16/57/25/1040165725.db2.gz KVWJMDXDPZSUJO-HRAATJIYSA-N 0 3 342.483 3.926 20 10 EHCDHN COc1ccc(CN(C)Cc2ccccc2SC)c(O)c1OC ZINC000894140917 1041313779 /nfs/dbraw/zinc/31/37/79/1041313779.db2.gz HSUUOTWRDYMLOA-UHFFFAOYSA-N 0 3 333.453 3.763 20 10 EHCDHN C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000183618051 1125620732 /nfs/dbraw/zinc/62/07/32/1125620732.db2.gz ITGLQOCJRSMYSS-LLVKDONJSA-N 0 3 326.318 3.536 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000185337427 1126868295 /nfs/dbraw/zinc/86/82/95/1126868295.db2.gz HEAUSTMKLIGOFU-FUHWJXTLSA-N 0 3 342.458 3.747 20 10 EHCDHN CCC(=O)Nc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765050229 1127567026 /nfs/dbraw/zinc/56/70/26/1127567026.db2.gz WOGLYLIYJMCXLY-OAHLLOKOSA-N 0 3 325.456 3.952 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CCC(=O)N2 ZINC000921545872 1127693579 /nfs/dbraw/zinc/69/35/79/1127693579.db2.gz LJELUUDSNHIYLW-AWEZNQCLSA-N 0 3 336.435 3.747 20 10 EHCDHN COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3[O-])CCO2)cc1 ZINC001168605926 1128344527 /nfs/dbraw/zinc/34/45/27/1128344527.db2.gz FANKXVSGAONJMY-AKCHCHLHSA-N 0 3 327.424 3.972 20 10 EHCDHN Cc1ccc(OC[C@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001648956972 1120270300 /nfs/dbraw/zinc/27/03/00/1120270300.db2.gz UWMHVIJTBZNYIF-AWEZNQCLSA-N 0 3 334.410 3.896 20 10 EHCDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000237221646 1121477226 /nfs/dbraw/zinc/47/72/26/1121477226.db2.gz NMUQFTMGWMHTSI-CQSZACIVSA-N 0 3 344.455 3.629 20 10 EHCDHN COC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000917075166 1122472531 /nfs/dbraw/zinc/47/25/31/1122472531.db2.gz RDYRITUURMHYFY-UHFFFAOYSA-N 0 3 330.428 3.543 20 10 EHCDHN COc1ccc(O)c(CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000179608507 1123806609 /nfs/dbraw/zinc/80/66/09/1123806609.db2.gz KVLHDHFDQSMCRO-MRXNPFEDSA-N 0 3 333.453 3.644 20 10 EHCDHN CCOc1ccc(C(C)=O)cc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000182383788 1125271368 /nfs/dbraw/zinc/27/13/68/1125271368.db2.gz VPSQOKIWKHXHQU-ZDUSSCGKSA-N 0 3 343.423 3.853 20 10 EHCDHN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082403 1125441537 /nfs/dbraw/zinc/44/15/37/1125441537.db2.gz WSMHNDUAXMRAIU-QFBILLFUSA-N 0 3 341.451 3.707 20 10 EHCDHN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082403 1125441541 /nfs/dbraw/zinc/44/15/41/1125441541.db2.gz WSMHNDUAXMRAIU-QFBILLFUSA-N 0 3 341.451 3.707 20 10 EHCDHN Cc1cc([O-])c(CN[C@H](CC[NH+](C)C)c2cccnc2)c(Cl)c1 ZINC000922632028 1129605422 /nfs/dbraw/zinc/60/54/22/1129605422.db2.gz HAKABCWCMGZMLW-QGZVFWFLSA-N 0 3 333.863 3.532 20 10 EHCDHN CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cc(OC)ccc1O)CCO2 ZINC000186698376 1129756399 /nfs/dbraw/zinc/75/63/99/1129756399.db2.gz UZFVHTJVLFXQJR-SCLBCKFNSA-N 0 3 343.423 3.974 20 10 EHCDHN CO[C@](C)(C[NH2+][C@H](C)c1cc(F)ccc1[O-])COCc1ccccc1 ZINC000702801127 1130249655 /nfs/dbraw/zinc/24/96/55/1130249655.db2.gz DYLVHRYOTSINMA-FOIQADDNSA-N 0 3 347.430 3.804 20 10 EHCDHN CC[C@@H]1[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000704637719 1130472625 /nfs/dbraw/zinc/47/26/25/1130472625.db2.gz GNUIDDCFUHGZNU-CWRNSKLLSA-N 0 3 334.460 3.831 20 10 EHCDHN CCCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1O ZINC000727831183 1130598268 /nfs/dbraw/zinc/59/82/68/1130598268.db2.gz MOMORFQMEDJMHT-UHFFFAOYSA-N 0 3 338.451 3.732 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001173052123 1131943628 /nfs/dbraw/zinc/94/36/28/1131943628.db2.gz CQRUZGFJVMGCOI-KFWWJZLASA-N 0 3 334.460 3.831 20 10 EHCDHN CCCCCn1cc(CNCc2cc(OCC)ccc2O)c(C)n1 ZINC000767426066 1132999420 /nfs/dbraw/zinc/99/94/20/1132999420.db2.gz HOLSBWGJRUBPAH-UHFFFAOYSA-N 0 3 331.460 3.776 20 10 EHCDHN CC(C)(C)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccc(F)cc1 ZINC000768444483 1133140269 /nfs/dbraw/zinc/14/02/69/1133140269.db2.gz YKRHCAIELKLWJH-MJGOQNOKSA-N 0 3 345.414 3.834 20 10 EHCDHN COc1cccc(O)c1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000769032488 1133216493 /nfs/dbraw/zinc/21/64/93/1133216493.db2.gz CQVANYXLYYZFPB-QGZVFWFLSA-N 0 3 327.424 3.582 20 10 EHCDHN COc1ccc(CC2CC[NH+](Cc3c([O-])cccc3OC)CC2)cc1 ZINC000769244380 1133250352 /nfs/dbraw/zinc/25/03/52/1133250352.db2.gz NRJRHOSUQJAMEA-UHFFFAOYSA-N 0 3 341.451 3.864 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1-n1cncn1)C1CCCC1 ZINC000769388591 1133274015 /nfs/dbraw/zinc/27/40/15/1133274015.db2.gz MZCWMURFVLTZGZ-UHFFFAOYSA-N 0 3 348.450 3.918 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1-n1cncn1)C1CCCC1 ZINC000769388591 1133274018 /nfs/dbraw/zinc/27/40/18/1133274018.db2.gz MZCWMURFVLTZGZ-UHFFFAOYSA-N 0 3 348.450 3.918 20 10 EHCDHN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447724 1133292845 /nfs/dbraw/zinc/29/28/45/1133292845.db2.gz JZCJQWOXZVJYPC-GWCFXTLKSA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447724 1133292848 /nfs/dbraw/zinc/29/28/48/1133292848.db2.gz JZCJQWOXZVJYPC-GWCFXTLKSA-N 0 3 328.250 3.784 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c([O-])c1 ZINC000769475185 1133299740 /nfs/dbraw/zinc/29/97/40/1133299740.db2.gz VGZYMYMFUCIUCU-HNNXBMFYSA-N 0 3 327.424 3.789 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c([O-])c1 ZINC000769475185 1133299744 /nfs/dbraw/zinc/29/97/44/1133299744.db2.gz VGZYMYMFUCIUCU-HNNXBMFYSA-N 0 3 327.424 3.789 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000769499104 1133302794 /nfs/dbraw/zinc/30/27/94/1133302794.db2.gz WUFNSXHBWQGJMH-UHFFFAOYSA-N 0 3 341.451 3.501 20 10 EHCDHN COc1cccc(CNCc2cnc(-c3ccccc3F)s2)c1O ZINC001181486963 1133497719 /nfs/dbraw/zinc/49/77/19/1133497719.db2.gz NTKPDGMLZWCCPA-UHFFFAOYSA-N 0 3 344.411 3.953 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1[O-] ZINC001184054613 1133891584 /nfs/dbraw/zinc/89/15/84/1133891584.db2.gz HXZJNSZNLVCWMQ-CABCVRRESA-N 0 3 340.261 3.510 20 10 EHCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525203 1134138201 /nfs/dbraw/zinc/13/82/01/1134138201.db2.gz IUQPPOAVHRLTES-AWEZNQCLSA-N 0 3 340.427 3.628 20 10 EHCDHN COc1ccc(C[NH+]2CCC(Sc3ccncc3)CC2)c([O-])c1 ZINC001203629242 1134146138 /nfs/dbraw/zinc/14/61/38/1134146138.db2.gz UCBHIKRPXSUTKB-UHFFFAOYSA-N 0 3 330.453 3.553 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000775138281 1134368555 /nfs/dbraw/zinc/36/85/55/1134368555.db2.gz NVMOMVWLGSRYNP-RDJZCZTQSA-N 0 3 344.421 3.668 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000790935530 1134480115 /nfs/dbraw/zinc/48/01/15/1134480115.db2.gz YJMCBUOVVDDDNH-SWLSCSKDSA-N 0 3 342.277 3.589 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000790935530 1134480120 /nfs/dbraw/zinc/48/01/20/1134480120.db2.gz YJMCBUOVVDDDNH-SWLSCSKDSA-N 0 3 342.277 3.589 20 10 EHCDHN COC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCCC1 ZINC000792157330 1134659234 /nfs/dbraw/zinc/65/92/34/1134659234.db2.gz UQWPDNKIFNMWFD-GOSISDBHSA-N 0 3 333.472 3.723 20 10 EHCDHN COC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCCCC1 ZINC000792157330 1134659235 /nfs/dbraw/zinc/65/92/35/1134659235.db2.gz UQWPDNKIFNMWFD-GOSISDBHSA-N 0 3 333.472 3.723 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)c1ccc(N(C)C)cc1 ZINC000793086797 1134849017 /nfs/dbraw/zinc/84/90/17/1134849017.db2.gz XRWGISHMIDLYPF-CYBMUJFWSA-N 0 3 341.480 3.517 20 10 EHCDHN COc1cc(C)cc(CN2CCN(c3cccc(F)c3)C[C@H]2C)c1O ZINC000793734320 1134987090 /nfs/dbraw/zinc/98/70/90/1134987090.db2.gz VNDSLLUNLYKJDC-OAHLLOKOSA-N 0 3 344.430 3.559 20 10 EHCDHN COc1ccc(O)c(CN(C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000775649178 1135412368 /nfs/dbraw/zinc/41/23/68/1135412368.db2.gz LZLBYNXGSCGUCQ-UHFFFAOYSA-N 0 3 341.329 3.931 20 10 EHCDHN CCCN(Cc1cccc(C)c1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000775667962 1135454159 /nfs/dbraw/zinc/45/41/59/1135454159.db2.gz PPBDTAAIGLEMDG-INIZCTEOSA-N 0 3 326.440 3.940 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1[O-] ZINC000808673849 1135714438 /nfs/dbraw/zinc/71/44/38/1135714438.db2.gz JTTXDZJWYVIZFR-ZDUSSCGKSA-N 0 3 348.878 3.565 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cn3ccccc3n2)c1[O-] ZINC000808674948 1135714551 /nfs/dbraw/zinc/71/45/51/1135714551.db2.gz RUQUIUJRBCOYHT-ZDUSSCGKSA-N 0 3 329.831 3.895 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000808675538 1135714571 /nfs/dbraw/zinc/71/45/71/1135714571.db2.gz KMTFWQMYFAMNMW-NHYWBVRUSA-N 0 3 331.847 3.661 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1[O-] ZINC000808675436 1135714672 /nfs/dbraw/zinc/71/46/72/1135714672.db2.gz GRMCXKBEFSGBES-CYBMUJFWSA-N 0 3 342.830 3.786 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])[C@]12CCCO2 ZINC000808713553 1135719179 /nfs/dbraw/zinc/71/91/79/1135719179.db2.gz IUELDDOTJYKOHY-BWUSGFMJSA-N 0 3 339.863 3.731 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000808697323 1135724865 /nfs/dbraw/zinc/72/48/65/1135724865.db2.gz DDXFJDYIPDHVCO-ZDUSSCGKSA-N 0 3 331.843 3.535 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000808697277 1135725029 /nfs/dbraw/zinc/72/50/29/1135725029.db2.gz BBTPMPSVWDJVIV-ZBEGNZNMSA-N 0 3 325.861 3.974 20 10 EHCDHN C[C@H](NCC(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835436 1135794936 /nfs/dbraw/zinc/79/49/36/1135794936.db2.gz YSVCGYQQPVQOBY-ZDUSSCGKSA-N 0 3 331.847 3.695 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C1CCCCC1 ZINC000775834865 1135795273 /nfs/dbraw/zinc/79/52/73/1135795273.db2.gz RFJAVCVUBMGKRI-JKSUJKDBSA-N 0 3 331.504 3.583 20 10 EHCDHN CC(C)N(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000775836027 1135796197 /nfs/dbraw/zinc/79/61/97/1135796197.db2.gz XMYMADUPRREAMR-KRWDZBQOSA-N 0 3 339.483 3.845 20 10 EHCDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000809718547 1135877479 /nfs/dbraw/zinc/87/74/79/1135877479.db2.gz VNVFYGJQTWXFLO-KEYYUXOJSA-N 0 3 334.460 3.516 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809768143 1135880398 /nfs/dbraw/zinc/88/03/98/1135880398.db2.gz DAHLBKRWTZEBFS-INIZCTEOSA-N 0 3 325.387 3.546 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809768143 1135880400 /nfs/dbraw/zinc/88/04/00/1135880400.db2.gz DAHLBKRWTZEBFS-INIZCTEOSA-N 0 3 325.387 3.546 20 10 EHCDHN COc1cccc(CN(CC[NH+](C)C)Cc2cc(Cl)ccc2[O-])c1 ZINC000809751662 1135885736 /nfs/dbraw/zinc/88/57/36/1135885736.db2.gz HJFHZBOTTLAGQR-UHFFFAOYSA-N 0 3 348.874 3.618 20 10 EHCDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(C)cc1[O-] ZINC000810248113 1135947677 /nfs/dbraw/zinc/94/76/77/1135947677.db2.gz OXNKXRPNJYZDKQ-IRFCIJBXSA-N 0 3 325.452 3.908 20 10 EHCDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C)cc1[O-] ZINC000810248112 1135947895 /nfs/dbraw/zinc/94/78/95/1135947895.db2.gz OXNKXRPNJYZDKQ-DYXWJJEUSA-N 0 3 325.452 3.908 20 10 EHCDHN COc1ccc(Br)c(CNCc2cccc(C)c2O)c1 ZINC000776089797 1135952205 /nfs/dbraw/zinc/95/22/05/1135952205.db2.gz DCLSIKZSXYNZMM-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN CC(C)O[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001201888648 1136071020 /nfs/dbraw/zinc/07/10/20/1136071020.db2.gz JNCKTJFQSFYQDD-IRXDYDNUSA-N 0 3 326.431 3.713 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1[O-] ZINC000776255693 1136110679 /nfs/dbraw/zinc/11/06/79/1136110679.db2.gz GPZZSYQIZWMXOJ-VNHYZAJKSA-N 0 3 329.918 3.823 20 10 EHCDHN CCn1cc([C@@H](C)NCc2cc(OC)cc(C(C)(C)C)c2O)cn1 ZINC000850316901 1136234521 /nfs/dbraw/zinc/23/45/21/1136234521.db2.gz LETBQFKVLZJJNB-CYBMUJFWSA-N 0 3 331.460 3.766 20 10 EHCDHN COc1cc(CN[C@@H]2C[C@@H](O)c3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850375508 1136244832 /nfs/dbraw/zinc/24/48/32/1136244832.db2.gz RBQYMMUFVCNESA-RTBURBONSA-N 0 3 341.451 3.966 20 10 EHCDHN CCOCc1cc(CNCc2cc(COC)cs2)ccc1OC ZINC000850378115 1136245434 /nfs/dbraw/zinc/24/54/34/1136245434.db2.gz SHGMWZRLZGNKQI-UHFFFAOYSA-N 0 3 335.469 3.729 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H](c2ccccc2)[C@H](C)O)cc1F ZINC000850421091 1136255994 /nfs/dbraw/zinc/25/59/94/1136255994.db2.gz VKNDAEPMCKSIAW-YWZLYKJASA-N 0 3 330.447 3.884 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850499972 1136272040 /nfs/dbraw/zinc/27/20/40/1136272040.db2.gz BIVNSLBNLOHLIH-MLGOLLRUSA-N 0 3 344.842 3.592 20 10 EHCDHN C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000850522571 1136276372 /nfs/dbraw/zinc/27/63/72/1136276372.db2.gz GLXGCJBKXPHVQX-QWRGUYRKSA-N 0 3 325.330 3.928 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000850568060 1136287789 /nfs/dbraw/zinc/28/77/89/1136287789.db2.gz ONAMEHMJOOXJSM-MRXNPFEDSA-N 0 3 339.483 3.510 20 10 EHCDHN COc1ccccc1-c1cc(CN[C@@H]2CCc3cccc(O)c32)on1 ZINC000850582599 1136292777 /nfs/dbraw/zinc/29/27/77/1136292777.db2.gz FTKOTAIIUCRCJV-MRXNPFEDSA-N 0 3 336.391 3.833 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnc(-c3ccccn3)s2)c1 ZINC000813331762 1136319339 /nfs/dbraw/zinc/31/93/39/1136319339.db2.gz UISHDXRYEKOERG-LBPRGKRZSA-N 0 3 341.436 3.770 20 10 EHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000814303059 1136438375 /nfs/dbraw/zinc/43/83/75/1136438375.db2.gz PLESNUHHDMOAQV-AWEZNQCLSA-N 0 3 326.396 3.590 20 10 EHCDHN CCn1nccc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000853239683 1136521048 /nfs/dbraw/zinc/52/10/48/1136521048.db2.gz JEWDUVMETJNIBL-LLVKDONJSA-N 0 3 338.249 3.530 20 10 EHCDHN Oc1cccc2c1[C@H](N[C@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000853243061 1136521509 /nfs/dbraw/zinc/52/15/09/1136521509.db2.gz WUINSCDNYYUXQD-SJORKVTESA-N 0 3 331.419 3.842 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@](C)(C4CC4)C3)c2c1 ZINC000853528397 1136541606 /nfs/dbraw/zinc/54/16/06/1136541606.db2.gz OVMOVADUQUSMLZ-FQEVSTJZSA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@](C)(C4CC4)C3)c2c1 ZINC000853528397 1136541609 /nfs/dbraw/zinc/54/16/09/1136541609.db2.gz OVMOVADUQUSMLZ-FQEVSTJZSA-N 0 3 327.424 3.555 20 10 EHCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)CC(C)(C)C)N(C)C)cc1 ZINC001134886321 1136561124 /nfs/dbraw/zinc/56/11/24/1136561124.db2.gz ZBBOZYVPFGACLV-SFHVURJKSA-N 0 3 347.547 3.934 20 10 EHCDHN C[C@@H]1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815585700 1136614701 /nfs/dbraw/zinc/61/47/01/1136614701.db2.gz PRXGACQXFYWCDV-NQIIRXRSSA-N 0 3 338.495 3.998 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000815598298 1136616992 /nfs/dbraw/zinc/61/69/92/1136616992.db2.gz QUOUYYAJFLZCNQ-QWFCFKBJSA-N 0 3 325.452 3.959 20 10 EHCDHN CC(C)N(C)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815573286 1136617817 /nfs/dbraw/zinc/61/78/17/1136617817.db2.gz FITAFVJFTKOEEM-FQEVSTJZSA-N 0 3 326.484 3.996 20 10 EHCDHN COc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1C ZINC000816631038 1136742554 /nfs/dbraw/zinc/74/25/54/1136742554.db2.gz DBYWAVZHGQFFSO-FQEVSTJZSA-N 0 3 325.452 3.997 20 10 EHCDHN CON1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000817586828 1136826215 /nfs/dbraw/zinc/82/62/15/1136826215.db2.gz BGCPVRCEPMDZCW-HXUWFJFHSA-N 0 3 340.467 3.682 20 10 EHCDHN CN(C)c1cc(F)c(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1F ZINC000858157304 1136944952 /nfs/dbraw/zinc/94/49/52/1136944952.db2.gz XGVGWZPBBFHNGO-YWZLYKJASA-N 0 3 346.421 3.898 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858447762 1136968738 /nfs/dbraw/zinc/96/87/38/1136968738.db2.gz IQQIUDOANLYLOI-BBRMVZONSA-N 0 3 340.393 3.793 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2[O-] ZINC000858453812 1136969542 /nfs/dbraw/zinc/96/95/42/1136969542.db2.gz ZGQDPSPHPJYFRU-KCJUWKMLSA-N 0 3 343.324 3.622 20 10 EHCDHN C[C@@H]1C[C@H](NCc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2O ZINC000858453812 1136969544 /nfs/dbraw/zinc/96/95/44/1136969544.db2.gz ZGQDPSPHPJYFRU-KCJUWKMLSA-N 0 3 343.324 3.622 20 10 EHCDHN COc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1O ZINC000013993996 1137133994 /nfs/dbraw/zinc/13/39/94/1137133994.db2.gz SKBGDUSLVJKLQR-GOSISDBHSA-N 0 3 345.414 3.721 20 10 EHCDHN Cc1cc(O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000824982421 1137161134 /nfs/dbraw/zinc/16/11/34/1137161134.db2.gz BURZUHUHGKRZDB-UHFFFAOYSA-N 0 3 345.874 3.718 20 10 EHCDHN OCC1([C@@H](NCc2ccc3c(c2)CCO3)c2cccs2)CCC1 ZINC000825312729 1137174113 /nfs/dbraw/zinc/17/41/13/1137174113.db2.gz XEODDBWSDCPXON-SFHVURJKSA-N 0 3 329.465 3.677 20 10 EHCDHN CC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@]2(CCOC2)O1 ZINC000794690572 1137233911 /nfs/dbraw/zinc/23/39/11/1137233911.db2.gz BKUWLDDIPLZBGJ-LAUBAEHRSA-N 0 3 347.499 3.768 20 10 EHCDHN C[N@H+](Cc1c[nH]c2cc(Br)cnc12)Cc1ccccc1[O-] ZINC001144703746 1137331607 /nfs/dbraw/zinc/33/16/07/1137331607.db2.gz IQTOIAWPBIPBJM-UHFFFAOYSA-N 0 3 346.228 3.663 20 10 EHCDHN C[N@@H+](Cc1c[nH]c2cc(Br)cnc12)Cc1ccccc1[O-] ZINC001144703746 1137331609 /nfs/dbraw/zinc/33/16/09/1137331609.db2.gz IQTOIAWPBIPBJM-UHFFFAOYSA-N 0 3 346.228 3.663 20 10 EHCDHN CCCCCn1cc(CN[C@H](C)c2cccc(OC)c2O)c(C)n1 ZINC000846159082 1137336696 /nfs/dbraw/zinc/33/66/96/1137336696.db2.gz MKWZAKXWXRLPSW-OAHLLOKOSA-N 0 3 331.460 3.947 20 10 EHCDHN Cn1ccnc1[C@@H](Cc1ccccc1)N[C@H]1CCc2cccc(O)c21 ZINC000846208454 1137339497 /nfs/dbraw/zinc/33/94/97/1137339497.db2.gz YFBZUMIVONMTBU-ZWKOTPCHSA-N 0 3 333.435 3.687 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000846180959 1137339968 /nfs/dbraw/zinc/33/99/68/1137339968.db2.gz OQDXSVJMIROBTK-TZIWHRDSSA-N 0 3 325.452 3.618 20 10 EHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)CC2 ZINC000866409160 1137352578 /nfs/dbraw/zinc/35/25/78/1137352578.db2.gz IPZAUCRXJRBLDY-HZPDHXFCSA-N 0 3 335.806 3.885 20 10 EHCDHN CCN(CC)c1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000772951833 1137365912 /nfs/dbraw/zinc/36/59/12/1137365912.db2.gz FUSDYGLIYWZTMC-UHFFFAOYSA-N 0 3 333.520 3.563 20 10 EHCDHN COc1ccc(CNCc2coc3ccccc23)cc1Cn1cccn1 ZINC001202527928 1137447474 /nfs/dbraw/zinc/44/74/74/1137447474.db2.gz JGNBRYXWYPPPOV-UHFFFAOYSA-N 0 3 347.418 3.976 20 10 EHCDHN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000773104876 1137465633 /nfs/dbraw/zinc/46/56/33/1137465633.db2.gz GPXOCEZABCQDLC-HIFRSBDPSA-N 0 3 330.394 3.641 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000872814859 1137584851 /nfs/dbraw/zinc/58/48/51/1137584851.db2.gz VUWLXFPMTIVPHG-MRXNPFEDSA-N 0 3 325.330 3.699 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000872814859 1137584852 /nfs/dbraw/zinc/58/48/52/1137584852.db2.gz VUWLXFPMTIVPHG-MRXNPFEDSA-N 0 3 325.330 3.699 20 10 EHCDHN CC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)c1ccncc1 ZINC000873060169 1137589286 /nfs/dbraw/zinc/58/92/86/1137589286.db2.gz DGOMHUDDHKNUGJ-LJQANCHMSA-N 0 3 336.439 3.576 20 10 EHCDHN CCCOc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1C ZINC000873072561 1137589523 /nfs/dbraw/zinc/58/95/23/1137589523.db2.gz XPANVOSTRYYTMI-HSZRJFAPSA-N 0 3 331.481 3.811 20 10 EHCDHN CCCOc1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1C ZINC000873127773 1137590748 /nfs/dbraw/zinc/59/07/48/1137590748.db2.gz WECFXRQBRSIVIB-DEOSSOPVSA-N 0 3 345.508 3.952 20 10 EHCDHN C[C@@H](c1ccco1)N(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876640020 1137657877 /nfs/dbraw/zinc/65/78/77/1137657877.db2.gz YQDDAFDTGJIGSP-INIZCTEOSA-N 0 3 340.467 3.966 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c([O-])c1 ZINC000876989086 1137667198 /nfs/dbraw/zinc/66/71/98/1137667198.db2.gz OGYZLISAYIVVSP-MRXNPFEDSA-N 0 3 330.497 3.764 20 10 EHCDHN COc1ccc(Br)cc1CNCc1ccc(C)cc1O ZINC000877021204 1137667856 /nfs/dbraw/zinc/66/78/56/1137667856.db2.gz AYRQKTDCZKLQCA-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647815 1137753541 /nfs/dbraw/zinc/75/35/41/1137753541.db2.gz MHCAFCFHMPGDFL-CZUORRHYSA-N 0 3 344.480 3.640 20 10 EHCDHN CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648791 1137753692 /nfs/dbraw/zinc/75/36/92/1137753692.db2.gz DVHOAELQCZRKMT-OAHLLOKOSA-N 0 3 326.440 3.629 20 10 EHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000883322055 1137854772 /nfs/dbraw/zinc/85/47/72/1137854772.db2.gz UCRYALJTQJWGNT-OAHLLOKOSA-N 0 3 348.240 3.940 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000886603335 1138101074 /nfs/dbraw/zinc/10/10/74/1138101074.db2.gz LPVVJFVGNKLERS-WBVHZDCISA-N 0 3 328.431 3.704 20 10 EHCDHN CC[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886711161 1138122432 /nfs/dbraw/zinc/12/24/32/1138122432.db2.gz OELOCQKKSLSYIU-AEFFLSMTSA-N 0 3 333.472 3.799 20 10 EHCDHN CCCOc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)c([O-])c1 ZINC000125983303 1138321029 /nfs/dbraw/zinc/32/10/29/1138321029.db2.gz PMFFTFDPCYMSLK-UHFFFAOYSA-N 0 3 331.412 3.527 20 10 EHCDHN CCCOc1ccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2)c([O-])c1 ZINC000125983303 1138321032 /nfs/dbraw/zinc/32/10/32/1138321032.db2.gz PMFFTFDPCYMSLK-UHFFFAOYSA-N 0 3 331.412 3.527 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1[O-] ZINC000183451738 1140038706 /nfs/dbraw/zinc/03/87/06/1140038706.db2.gz OCMWPCFSVVQSJW-UONOGXRCSA-N 0 3 326.396 3.761 20 10 EHCDHN C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000183619731 1140050246 /nfs/dbraw/zinc/05/02/46/1140050246.db2.gz FESQYJLMXBKRRU-IAQYHMDHSA-N 0 3 336.229 3.539 20 10 EHCDHN COc1cc(Cl)cc(CN2CCC(OC3CCCC3)CC2)c1O ZINC000184686067 1140115304 /nfs/dbraw/zinc/11/53/04/1140115304.db2.gz QPVYQDDVQJJXCW-UHFFFAOYSA-N 0 3 339.863 3.978 20 10 EHCDHN COc1cc(OC)c(OC)cc1CN[C@H](C)c1cc(C)ccc1O ZINC000184883504 1140123897 /nfs/dbraw/zinc/12/38/97/1140123897.db2.gz NMFIJNAKUBXULH-CYBMUJFWSA-N 0 3 331.412 3.577 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc3c(cc2OC)C[C@@H](C)O3)c1 ZINC000184975211 1140129010 /nfs/dbraw/zinc/12/90/10/1140129010.db2.gz LKSGRMNQEIMYOS-CHWSQXEVSA-N 0 3 343.423 3.584 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000185470563 1140151441 /nfs/dbraw/zinc/15/14/41/1140151441.db2.gz QBVVVWJWIWRLLG-QRWLVFNGSA-N 0 3 329.440 3.872 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2cccnc2)c1[O-] ZINC000186983724 1140231299 /nfs/dbraw/zinc/23/12/99/1140231299.db2.gz CYYFIKUOKJVNSM-GFCCVEGCSA-N 0 3 335.245 3.751 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c1[O-] ZINC000187353589 1140251146 /nfs/dbraw/zinc/25/11/46/1140251146.db2.gz VLCZUFAYABNFRH-NWDGAFQWSA-N 0 3 344.293 3.911 20 10 EHCDHN C[C@H](NCC1(C)OCCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000190661134 1140413683 /nfs/dbraw/zinc/41/36/83/1140413683.db2.gz WRLPOWGYGPZRJU-HNNXBMFYSA-N 0 3 336.451 3.620 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000268795079 1140994099 /nfs/dbraw/zinc/99/40/99/1140994099.db2.gz WKRFFKWRXCMGLF-QGZVFWFLSA-N 0 3 338.499 3.989 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1[O-] ZINC000359959570 201119071 /nfs/dbraw/zinc/11/90/71/201119071.db2.gz WXIZWLIGGGJMSM-KSSFIOAISA-N 0 3 347.842 3.922 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(Br)ccc1[O-] ZINC000037644085 522632081 /nfs/dbraw/zinc/63/20/81/522632081.db2.gz RHZLUOHKCQRDTP-DOMZBBRYSA-N 0 3 341.293 3.537 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccccc1[O-] ZINC000155068208 1016107917 /nfs/dbraw/zinc/10/79/17/1016107917.db2.gz MNQFTECAWMNFFX-CXAGYDPISA-N 0 3 327.424 3.965 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccccc1[O-] ZINC000155081185 1016119310 /nfs/dbraw/zinc/11/93/10/1016119310.db2.gz CCNMDFUKCYBPRC-AWEZNQCLSA-N 0 3 340.345 3.969 20 10 EHCDHN CC[C@H](NCc1cccnc1OCC(F)(F)F)c1ccccc1O ZINC000155081185 1016119315 /nfs/dbraw/zinc/11/93/15/1016119315.db2.gz CCNMDFUKCYBPRC-AWEZNQCLSA-N 0 3 340.345 3.969 20 10 EHCDHN C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183502564 1032176454 /nfs/dbraw/zinc/17/64/54/1032176454.db2.gz PJRYAKXZRZVTPQ-GJZGRUSLSA-N 0 3 334.460 3.690 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528398949 1032223984 /nfs/dbraw/zinc/22/39/84/1032223984.db2.gz YJXBSVNFVBIWPZ-GOSISDBHSA-N 0 3 330.472 3.538 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528398949 1032223998 /nfs/dbraw/zinc/22/39/98/1032223998.db2.gz YJXBSVNFVBIWPZ-GOSISDBHSA-N 0 3 330.472 3.538 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c([O-])c1 ZINC000185134429 1032353871 /nfs/dbraw/zinc/35/38/71/1032353871.db2.gz ZVRVJICOJZOPJF-AWEZNQCLSA-N 0 3 325.387 3.876 20 10 EHCDHN CCOc1cccc(CNCc2sccc2Br)c1O ZINC000112838239 1018030468 /nfs/dbraw/zinc/03/04/68/1018030468.db2.gz CGOABOWDLKQMBS-UHFFFAOYSA-N 0 3 342.258 3.905 20 10 EHCDHN CC[C@@H](NCc1ccc(OC)c(OC)c1O)c1cc(F)ccc1F ZINC000893019357 1018177233 /nfs/dbraw/zinc/17/72/33/1018177233.db2.gz RBIRCYPGJDWQLA-OAHLLOKOSA-N 0 3 337.366 3.929 20 10 EHCDHN CCN(CC)CCC[N@H+](CC)Cc1cccc(Br)c1[O-] ZINC000230744949 1032829116 /nfs/dbraw/zinc/82/91/16/1032829116.db2.gz RFINQNWQGVSMRI-UHFFFAOYSA-N 0 3 343.309 3.709 20 10 EHCDHN CCN(CC)CCC[N@@H+](CC)Cc1cccc(Br)c1[O-] ZINC000230744949 1032829134 /nfs/dbraw/zinc/82/91/34/1032829134.db2.gz RFINQNWQGVSMRI-UHFFFAOYSA-N 0 3 343.309 3.709 20 10 EHCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1[O-] ZINC000155823931 1019891063 /nfs/dbraw/zinc/89/10/63/1019891063.db2.gz JXSSMOZNIIGTCW-MRXNPFEDSA-N 0 3 332.831 3.516 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccccc1[O-] ZINC000155868156 1020087647 /nfs/dbraw/zinc/08/76/47/1020087647.db2.gz AVGJIPCTGGSYBS-UYAOXDASSA-N 0 3 329.440 3.954 20 10 EHCDHN CC[C@@H](NCc1cccnc1OCC(F)F)c1ccc(C)cc1O ZINC000280212614 1020182787 /nfs/dbraw/zinc/18/27/87/1020182787.db2.gz UEPPSNFSWYQQDH-OAHLLOKOSA-N 0 3 336.382 3.980 20 10 EHCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000126656791 1022237577 /nfs/dbraw/zinc/23/75/77/1022237577.db2.gz VEUZHNWKCMCVLN-HNNXBMFYSA-N 0 3 337.467 3.878 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1ccccc1[O-] ZINC000278757264 1023392084 /nfs/dbraw/zinc/39/20/84/1023392084.db2.gz XHMUODUNDKSWLI-OFQRWUPVSA-N 0 3 334.460 3.688 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccccc1[O-] ZINC000281426789 1025021975 /nfs/dbraw/zinc/02/19/75/1025021975.db2.gz BYVBFADZVLNIQX-CQSZACIVSA-N 0 3 340.345 3.969 20 10 EHCDHN CCc1cccc2c1OCC[C@@H]2NCc1cc(C)cc(OC)c1O ZINC000894245748 1027199682 /nfs/dbraw/zinc/19/96/82/1027199682.db2.gz YVRMEQXKGUKJFF-KRWDZBQOSA-N 0 3 327.424 3.885 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000273585269 1027505059 /nfs/dbraw/zinc/50/50/59/1027505059.db2.gz NSJZSEMCDUVUFY-CQSZACIVSA-N 0 3 334.460 3.751 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528003565 1031568976 /nfs/dbraw/zinc/56/89/76/1031568976.db2.gz PSGNEXOKRJVMAC-SJKOYZFVSA-N 0 3 344.842 3.832 20 10 EHCDHN CCOc1cccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898176986 1033377331 /nfs/dbraw/zinc/37/73/31/1033377331.db2.gz HYLJQQYGORPDIT-AWEZNQCLSA-N 0 3 329.444 3.638 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000898182695 1033383612 /nfs/dbraw/zinc/38/36/12/1033383612.db2.gz VGPSOJWXGQYGBB-INIZCTEOSA-N 0 3 326.488 3.908 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cnn(C)c1 ZINC000375786393 1034001284 /nfs/dbraw/zinc/00/12/84/1034001284.db2.gz FAXJQMXVIPWRRN-KRWDZBQOSA-N 0 3 346.478 3.834 20 10 EHCDHN CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761182505 1034273506 /nfs/dbraw/zinc/27/35/06/1034273506.db2.gz GJYCTMVLVPUNKV-UHFFFAOYSA-N 0 3 349.814 3.805 20 10 EHCDHN CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761182505 1034273517 /nfs/dbraw/zinc/27/35/17/1034273517.db2.gz GJYCTMVLVPUNKV-UHFFFAOYSA-N 0 3 349.814 3.805 20 10 EHCDHN CCN(Cc1ccc2c(c1)OCO2)Cc1cc(Cl)cc(OC)c1O ZINC000761182505 1034273528 /nfs/dbraw/zinc/27/35/28/1034273528.db2.gz GJYCTMVLVPUNKV-UHFFFAOYSA-N 0 3 349.814 3.805 20 10 EHCDHN O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-])Nc1ccccc1 ZINC000179559162 1034492029 /nfs/dbraw/zinc/49/20/29/1034492029.db2.gz MJLATSQBTRPCBK-GOSISDBHSA-N 0 3 339.439 3.568 20 10 EHCDHN O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-])Nc1ccccc1 ZINC000179559162 1034492035 /nfs/dbraw/zinc/49/20/35/1034492035.db2.gz MJLATSQBTRPCBK-GOSISDBHSA-N 0 3 339.439 3.568 20 10 EHCDHN OCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1O ZINC000179583310 1034507651 /nfs/dbraw/zinc/50/76/51/1034507651.db2.gz JLLBJIBZUZARGS-UHFFFAOYSA-N 0 3 326.223 3.694 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000186195667 1035600809 /nfs/dbraw/zinc/60/08/09/1035600809.db2.gz HWTRNXAYOJZADL-LPHOPBHVSA-N 0 3 338.451 3.542 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000157070029 1036461440 /nfs/dbraw/zinc/46/14/40/1036461440.db2.gz FFAYWDIDYMBJHB-CYBMUJFWSA-N 0 3 347.846 3.680 20 10 EHCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000311108317 1037404710 /nfs/dbraw/zinc/40/47/10/1037404710.db2.gz VXBSSCWSDJYJEP-IMJJTQAJSA-N 0 3 346.471 3.663 20 10 EHCDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc(OC)c1OC ZINC000192936591 1038962540 /nfs/dbraw/zinc/96/25/40/1038962540.db2.gz BAXDMEJFHDELAS-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185293004 1039069376 /nfs/dbraw/zinc/06/93/76/1039069376.db2.gz WJLBVRLBDMDIGI-HOTGVXAUSA-N 0 3 348.487 3.998 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccccc1[O-] ZINC000155876654 1039174729 /nfs/dbraw/zinc/17/47/29/1039174729.db2.gz YYUDZQZOWAEFNN-AZUAARDMSA-N 0 3 329.440 3.954 20 10 EHCDHN CCn1nccc1C1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000279420054 1044060805 /nfs/dbraw/zinc/06/08/05/1044060805.db2.gz NGHUDIXCJUDRES-UHFFFAOYSA-N 0 3 349.862 3.650 20 10 EHCDHN CCn1nccc1C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000279420054 1044060819 /nfs/dbraw/zinc/06/08/19/1044060819.db2.gz NGHUDIXCJUDRES-UHFFFAOYSA-N 0 3 349.862 3.650 20 10 EHCDHN C[C@H](NCc1nccc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000765403564 1127607630 /nfs/dbraw/zinc/60/76/30/1127607630.db2.gz ILROUSZBBLOHOJ-KRWDZBQOSA-N 0 3 347.462 3.922 20 10 EHCDHN COc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000765608806 1127705248 /nfs/dbraw/zinc/70/52/48/1127705248.db2.gz LILMOTZFBGTBRA-GOSISDBHSA-N 0 3 325.408 3.634 20 10 EHCDHN COCc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)ccc1OC ZINC000765610880 1127706484 /nfs/dbraw/zinc/70/64/84/1127706484.db2.gz YDZBJEXTIACBQY-CQSZACIVSA-N 0 3 327.424 3.627 20 10 EHCDHN COc1ccc([C@H](C)NCc2ccc3c(c2)CCCO3)cc1OC ZINC000921560714 1127752018 /nfs/dbraw/zinc/75/20/18/1127752018.db2.gz JFBLBPWSWFQSHL-AWEZNQCLSA-N 0 3 327.424 3.880 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc(OC)c(OC)c2)cc1 ZINC000072659256 1120069099 /nfs/dbraw/zinc/06/90/99/1120069099.db2.gz RGPYSVITSZHNHE-UHFFFAOYSA-N 0 3 328.456 3.840 20 10 EHCDHN CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000921934959 1128935498 /nfs/dbraw/zinc/93/54/98/1128935498.db2.gz ITAOGYXGFHQYAW-LJQANCHMSA-N 0 3 336.435 3.599 20 10 EHCDHN COCCC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000921187164 1123480466 /nfs/dbraw/zinc/48/04/66/1123480466.db2.gz JVDMTOIIFUWRMN-UHFFFAOYSA-N 0 3 338.245 3.776 20 10 EHCDHN COCCC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000921187164 1123480468 /nfs/dbraw/zinc/48/04/68/1123480468.db2.gz JVDMTOIIFUWRMN-UHFFFAOYSA-N 0 3 338.245 3.776 20 10 EHCDHN Cc1ccc(F)cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000179890862 1123882430 /nfs/dbraw/zinc/88/24/30/1123882430.db2.gz PUIQCJFRUNEJBB-UHFFFAOYSA-N 0 3 328.431 3.603 20 10 EHCDHN CCC[N@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1ccccc1[O-] ZINC000068973534 1124074341 /nfs/dbraw/zinc/07/43/41/1124074341.db2.gz XDTTYARVBNMACN-UHFFFAOYSA-N 0 3 326.440 3.506 20 10 EHCDHN CCC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1ccccc1[O-] ZINC000068973534 1124074347 /nfs/dbraw/zinc/07/43/47/1124074347.db2.gz XDTTYARVBNMACN-UHFFFAOYSA-N 0 3 326.440 3.506 20 10 EHCDHN COc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000070976749 1125447428 /nfs/dbraw/zinc/44/74/28/1125447428.db2.gz BDWGDPNGMZHQLZ-KRWDZBQOSA-N 0 3 345.414 3.721 20 10 EHCDHN COCCCOC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000172914457 1129336249 /nfs/dbraw/zinc/33/62/49/1129336249.db2.gz LJFKLZKCMTXEGJ-UHFFFAOYSA-N 0 3 329.440 3.563 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](N4CCCCC4)C3)c2c1 ZINC000730804793 1130741012 /nfs/dbraw/zinc/74/10/12/1130741012.db2.gz JUDCWLZQALXXHT-QGZVFWFLSA-N 0 3 340.467 3.614 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](N4CCCCC4)C3)c2c1 ZINC000730804793 1130741018 /nfs/dbraw/zinc/74/10/18/1130741018.db2.gz JUDCWLZQALXXHT-QGZVFWFLSA-N 0 3 340.467 3.614 20 10 EHCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])Oc1cccc(Br)c1 ZINC000742386459 1131714077 /nfs/dbraw/zinc/71/40/77/1131714077.db2.gz FZTIPHRCTRMKFQ-GFCCVEGCSA-N 0 3 336.229 3.712 20 10 EHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CCC[C@@H](OC)C2)C1 ZINC001172940280 1131912584 /nfs/dbraw/zinc/91/25/84/1131912584.db2.gz WYJQPQDJNFIMPX-HUUCEWRRSA-N 0 3 328.456 3.503 20 10 EHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CCC[C@H](OC)C2)C1 ZINC001172940278 1131913062 /nfs/dbraw/zinc/91/30/62/1131913062.db2.gz WYJQPQDJNFIMPX-CABCVRRESA-N 0 3 328.456 3.503 20 10 EHCDHN Oc1ccccc1CNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000743499322 1131930352 /nfs/dbraw/zinc/93/03/52/1131930352.db2.gz YRUZBDMHBOBUGL-KRWDZBQOSA-N 0 3 347.842 3.893 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1Cl ZINC000743870315 1131994524 /nfs/dbraw/zinc/99/45/24/1131994524.db2.gz QBRYWGZWWRMHDS-INIZCTEOSA-N 0 3 349.858 3.698 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1Cl ZINC000743870315 1131994529 /nfs/dbraw/zinc/99/45/29/1131994529.db2.gz QBRYWGZWWRMHDS-INIZCTEOSA-N 0 3 349.858 3.698 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000809718337 1132585059 /nfs/dbraw/zinc/58/50/59/1132585059.db2.gz IRVJXMCHBFZJLP-UHFFFAOYSA-N 0 3 336.863 3.901 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000809718337 1132585068 /nfs/dbraw/zinc/58/50/68/1132585068.db2.gz IRVJXMCHBFZJLP-UHFFFAOYSA-N 0 3 336.863 3.901 20 10 EHCDHN COc1ccccc1C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000768163644 1133103124 /nfs/dbraw/zinc/10/31/24/1133103124.db2.gz RYCKWIGCKCWWHP-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN COc1ccccc1C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000768163644 1133103126 /nfs/dbraw/zinc/10/31/26/1133103126.db2.gz RYCKWIGCKCWWHP-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN C[C@H]1c2ccsc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000768209289 1133108800 /nfs/dbraw/zinc/10/88/00/1133108800.db2.gz OURXUFLFVRFKTQ-HNNXBMFYSA-N 0 3 328.481 3.704 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1Cl)[C@H](O)CO2 ZINC000768440884 1133139331 /nfs/dbraw/zinc/13/93/31/1133139331.db2.gz AMYCNTGKGTUIGD-FUHWJXTLSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1Cl)[C@H](O)CO2 ZINC000768440884 1133139333 /nfs/dbraw/zinc/13/93/33/1133139333.db2.gz AMYCNTGKGTUIGD-FUHWJXTLSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1Cl)[C@H](O)CO2 ZINC000768440884 1133139336 /nfs/dbraw/zinc/13/93/36/1133139336.db2.gz AMYCNTGKGTUIGD-FUHWJXTLSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CCC1CCCC1)[C@@H](O)CO2 ZINC000768462531 1133144555 /nfs/dbraw/zinc/14/45/55/1133144555.db2.gz MQIZCCSEFKKNSK-LPHOPBHVSA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CCC1CCCC1)[C@@H](O)CO2 ZINC000768462531 1133144557 /nfs/dbraw/zinc/14/45/57/1133144557.db2.gz MQIZCCSEFKKNSK-LPHOPBHVSA-N 0 3 331.456 3.753 20 10 EHCDHN Cn1nnc2cc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)ccc21 ZINC000768535455 1133151993 /nfs/dbraw/zinc/15/19/93/1133151993.db2.gz VUZKAJBDRIWUBQ-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN Cn1nnc2cc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)ccc21 ZINC000768535455 1133151998 /nfs/dbraw/zinc/15/19/98/1133151998.db2.gz VUZKAJBDRIWUBQ-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000768690783 1133173368 /nfs/dbraw/zinc/17/33/68/1133173368.db2.gz NRZSRKWOOMQHES-WPBUFGDCSA-N 0 3 344.833 3.643 20 10 EHCDHN CCO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC001178601054 1133184519 /nfs/dbraw/zinc/18/45/19/1133184519.db2.gz GFLIAZPIOAVPNI-IBGZPJMESA-N 0 3 334.410 3.898 20 10 EHCDHN CC1CC[NH+](C[C@H]2CCCN(Cc3c([O-])cccc3Cl)C2)CC1 ZINC000769149249 1133235080 /nfs/dbraw/zinc/23/50/80/1133235080.db2.gz ZJHAHEXOGIPMHJ-MRXNPFEDSA-N 0 3 336.907 3.990 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1F ZINC000769314214 1133260208 /nfs/dbraw/zinc/26/02/08/1133260208.db2.gz WJOULXSPAOWRGD-KRWDZBQOSA-N 0 3 330.451 3.706 20 10 EHCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cc(C)ccc1O ZINC000769387188 1133274044 /nfs/dbraw/zinc/27/40/44/1133274044.db2.gz JSJXEOLRQKQGQQ-UHFFFAOYSA-N 0 3 349.377 3.544 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402595 1133277854 /nfs/dbraw/zinc/27/78/54/1133277854.db2.gz MSFZWEYJQGCBHA-KRWDZBQOSA-N 0 3 344.886 4.000 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402595 1133277860 /nfs/dbraw/zinc/27/78/60/1133277860.db2.gz MSFZWEYJQGCBHA-KRWDZBQOSA-N 0 3 344.886 4.000 20 10 EHCDHN CCOc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000769425387 1133282844 /nfs/dbraw/zinc/28/28/44/1133282844.db2.gz RFZRSHSOAHTOLQ-HXUWFJFHSA-N 0 3 341.451 3.663 20 10 EHCDHN CCOc1ccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000769425387 1133282847 /nfs/dbraw/zinc/28/28/47/1133282847.db2.gz RFZRSHSOAHTOLQ-HXUWFJFHSA-N 0 3 341.451 3.663 20 10 EHCDHN CCN(CC)c1ccc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1 ZINC000769424504 1133283083 /nfs/dbraw/zinc/28/30/83/1133283083.db2.gz FXCVLSJSODGLCQ-OAQYLSRUSA-N 0 3 342.483 3.707 20 10 EHCDHN COc1ccc(C[C@@H](C)C[N@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000769519247 1133308183 /nfs/dbraw/zinc/30/81/83/1133308183.db2.gz MVWSDOWJPPDSIL-OAHLLOKOSA-N 0 3 329.440 3.720 20 10 EHCDHN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000769519247 1133308189 /nfs/dbraw/zinc/30/81/89/1133308189.db2.gz MVWSDOWJPPDSIL-OAHLLOKOSA-N 0 3 329.440 3.720 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770328277 1133412576 /nfs/dbraw/zinc/41/25/76/1133412576.db2.gz NLSGIRKBMZBDHH-VQIMIIECSA-N 0 3 345.414 3.628 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770328277 1133412579 /nfs/dbraw/zinc/41/25/79/1133412579.db2.gz NLSGIRKBMZBDHH-VQIMIIECSA-N 0 3 345.414 3.628 20 10 EHCDHN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000770510910 1133436954 /nfs/dbraw/zinc/43/69/54/1133436954.db2.gz VBLHOEWXTNKORN-ZBFHGGJFSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000770510910 1133436958 /nfs/dbraw/zinc/43/69/58/1133436958.db2.gz VBLHOEWXTNKORN-ZBFHGGJFSA-N 0 3 334.460 3.517 20 10 EHCDHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000771389382 1133551685 /nfs/dbraw/zinc/55/16/85/1133551685.db2.gz RKUWOASEGNXZQH-HOTGVXAUSA-N 0 3 343.446 3.778 20 10 EHCDHN Cc1ccc(F)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487330 1133688655 /nfs/dbraw/zinc/68/86/55/1133688655.db2.gz ZFAWFUDJHPHCSJ-LSDHHAIUSA-N 0 3 343.446 3.878 20 10 EHCDHN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000774487316 1133688866 /nfs/dbraw/zinc/68/88/66/1133688866.db2.gz ZAXVZJBJNDJWPF-LSDHHAIUSA-N 0 3 343.446 3.878 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000774486532 1133689010 /nfs/dbraw/zinc/68/90/10/1133689010.db2.gz WGBFCCKAIFHIPJ-CHWSQXEVSA-N 0 3 347.409 3.709 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCc2cn(C)c3ccccc23)c1[O-] ZINC001182929854 1133752718 /nfs/dbraw/zinc/75/27/18/1133752718.db2.gz MNQDZHJGAYVCLO-UHFFFAOYSA-N 0 3 344.842 3.878 20 10 EHCDHN CCCN(CCC)c1ccc(CNCc2cccn(CC)c2=O)cc1 ZINC000788524839 1134133139 /nfs/dbraw/zinc/13/31/39/1134133139.db2.gz WBLNPGZMGLUTER-UHFFFAOYSA-N 0 3 341.499 3.784 20 10 EHCDHN CCn1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1=O ZINC000788523521 1134137849 /nfs/dbraw/zinc/13/78/49/1134137849.db2.gz DRQWDGBZOJSJOM-UHFFFAOYSA-N 0 3 334.419 3.531 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOC(F)(F)F)c1[O-] ZINC000788979888 1134206810 /nfs/dbraw/zinc/20/68/10/1134206810.db2.gz HUVONRWRSTYJOJ-QMMMGPOBSA-N 0 3 342.155 3.650 20 10 EHCDHN COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000789585972 1134298529 /nfs/dbraw/zinc/29/85/29/1134298529.db2.gz ICGHNJMSXCSTBG-KRWDZBQOSA-N 0 3 349.858 3.744 20 10 EHCDHN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000789585972 1134298536 /nfs/dbraw/zinc/29/85/36/1134298536.db2.gz ICGHNJMSXCSTBG-KRWDZBQOSA-N 0 3 349.858 3.744 20 10 EHCDHN CC(C)C[N@@H+]1CCC[C@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790983138 1134495745 /nfs/dbraw/zinc/49/57/45/1134495745.db2.gz NCZSYPLMKZNVRM-CYBMUJFWSA-N 0 3 328.859 3.642 20 10 EHCDHN CC(C)C[N@H+]1CCC[C@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790983138 1134495747 /nfs/dbraw/zinc/49/57/47/1134495747.db2.gz NCZSYPLMKZNVRM-CYBMUJFWSA-N 0 3 328.859 3.642 20 10 EHCDHN CO[C@]1(C)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000793216992 1134873986 /nfs/dbraw/zinc/87/39/86/1134873986.db2.gz KYQQWPGOOPNQST-OAQYLSRUSA-N 0 3 341.451 3.972 20 10 EHCDHN CO[C@]1(C)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000793216992 1134873990 /nfs/dbraw/zinc/87/39/90/1134873990.db2.gz KYQQWPGOOPNQST-OAQYLSRUSA-N 0 3 341.451 3.972 20 10 EHCDHN CCC[C@H]([NH2+]Cc1ccc(OCC)cc1[O-])[C@H](O)c1ccccc1 ZINC000793236647 1134881839 /nfs/dbraw/zinc/88/18/39/1134881839.db2.gz JNRVPMDHRUZANT-AZUAARDMSA-N 0 3 329.440 3.783 20 10 EHCDHN C[C@@H](NCc1cc(F)ccc1O)c1ccc(Br)cn1 ZINC000793334738 1134907528 /nfs/dbraw/zinc/90/75/28/1134907528.db2.gz RIVHXUIWPDDUED-SECBINFHSA-N 0 3 325.181 3.540 20 10 EHCDHN COc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)c([O-])c1 ZINC000793389082 1134921422 /nfs/dbraw/zinc/92/14/22/1134921422.db2.gz UZYAEMNBWWPIEY-GOSISDBHSA-N 0 3 340.467 3.544 20 10 EHCDHN COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000793638660 1134976066 /nfs/dbraw/zinc/97/60/66/1134976066.db2.gz OLCAUMCRNUKAJF-SFHVURJKSA-N 0 3 348.874 3.755 20 10 EHCDHN COc1ccc(OC)c(CN(Cc2cccc(C)c2O)C2CC2)c1 ZINC000775652189 1135417059 /nfs/dbraw/zinc/41/70/59/1135417059.db2.gz HGQANRGPJRVLCN-UHFFFAOYSA-N 0 3 327.424 3.882 20 10 EHCDHN Cc1cc(Cl)cc(CN2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000775678400 1135503673 /nfs/dbraw/zinc/50/36/73/1135503673.db2.gz CNOKDKOKUSBPFY-UHFFFAOYSA-N 0 3 339.863 3.908 20 10 EHCDHN CN1CCN(c2ccc(CN3CC[C@H]3c3cccc(F)c3)cc2)CC1 ZINC000775724762 1135580213 /nfs/dbraw/zinc/58/02/13/1135580213.db2.gz KLHZZVUVCPXPQJ-NRFANRHFSA-N 0 3 339.458 3.525 20 10 EHCDHN Cc1ccc(O)c(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000809768585 1135880508 /nfs/dbraw/zinc/88/05/08/1135880508.db2.gz PIQBDDWLTIYJKI-DOTOQJQBSA-N 0 3 329.465 3.701 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758079 1135888124 /nfs/dbraw/zinc/88/81/24/1135888124.db2.gz BSOIEZPSDBGUPZ-ZIAGYGMSSA-N 0 3 339.863 3.693 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758079 1135888128 /nfs/dbraw/zinc/88/81/28/1135888128.db2.gz BSOIEZPSDBGUPZ-ZIAGYGMSSA-N 0 3 339.863 3.693 20 10 EHCDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2cc(Cl)cc(F)c2[O-])C1 ZINC001199328690 1135898259 /nfs/dbraw/zinc/89/82/59/1135898259.db2.gz DLCXVKQQNNPRBD-CHWSQXEVSA-N 0 3 328.859 3.642 20 10 EHCDHN COc1cc(O)c(CN[C@H]2CCCOc3ccc(F)cc32)cc1OC ZINC000776039892 1135940762 /nfs/dbraw/zinc/94/07/62/1135940762.db2.gz BKHHRXWPTDXOPJ-HNNXBMFYSA-N 0 3 347.386 3.552 20 10 EHCDHN CC(C)O[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001201888650 1136070945 /nfs/dbraw/zinc/07/09/45/1136070945.db2.gz JNCKTJFQSFYQDD-SJORKVTESA-N 0 3 326.431 3.713 20 10 EHCDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC001202102207 1136094234 /nfs/dbraw/zinc/09/42/34/1136094234.db2.gz NFXBKXDOHCCCFZ-AEFFLSMTSA-N 0 3 326.431 3.714 20 10 EHCDHN CCOc1ccc(CN2Cc3ccc(OC)cc3C3(CC3)C2)c(O)c1 ZINC000811518223 1136097935 /nfs/dbraw/zinc/09/79/35/1136097935.db2.gz HISRZKKKYRFLQE-UHFFFAOYSA-N 0 3 339.435 3.847 20 10 EHCDHN CCCOc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1C ZINC001202466183 1136146890 /nfs/dbraw/zinc/14/68/90/1136146890.db2.gz JVWZDVAJOPHQHS-UHFFFAOYSA-N 0 3 332.488 3.665 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812741545 1136240305 /nfs/dbraw/zinc/24/03/05/1136240305.db2.gz VEVVEIYLJWFEHA-RHSMWYFYSA-N 0 3 342.414 3.686 20 10 EHCDHN COc1cccc([C@@H](C)NC[C@@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850505186 1136273375 /nfs/dbraw/zinc/27/33/75/1136273375.db2.gz OUPGNFPTXJEDRZ-IAQYHMDHSA-N 0 3 347.377 3.942 20 10 EHCDHN COc1cccc([C@H](C)NC[C@@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850505188 1136273433 /nfs/dbraw/zinc/27/34/33/1136273433.db2.gz OUPGNFPTXJEDRZ-XHDPSFHLSA-N 0 3 347.377 3.942 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(C)(C)F)c1[O-] ZINC000850532595 1136280467 /nfs/dbraw/zinc/28/04/67/1136280467.db2.gz UOYKCAYZJOFZQH-VIFPVBQESA-N 0 3 334.229 3.952 20 10 EHCDHN CC(C)[C@H]1N(Cc2ccc(N3CCOCC3)c(F)c2)CC12CCC2 ZINC000814171872 1136415589 /nfs/dbraw/zinc/41/55/89/1136415589.db2.gz XKMMRVJYOMHFRL-LJQANCHMSA-N 0 3 332.463 3.673 20 10 EHCDHN C[C@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H](C)C1 ZINC001134686307 1136509007 /nfs/dbraw/zinc/50/90/07/1136509007.db2.gz GZNZWDVPFXUWMM-QXOCSCLMSA-N 0 3 345.531 3.544 20 10 EHCDHN CC1=CC[C@](C)(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686599 1136509338 /nfs/dbraw/zinc/50/93/38/1136509338.db2.gz PLZSEBXIWXEYRN-CTNGQTDRSA-N 0 3 343.515 3.608 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnccc2C(F)(F)F)c1 ZINC000853241395 1136521368 /nfs/dbraw/zinc/52/13/68/1136521368.db2.gz LWXQNAXRNCUBKL-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN Cc1cc(O)c(CN2CC3(CCOCC3)[C@H]2c2ccco2)cc1C ZINC000853552127 1136543694 /nfs/dbraw/zinc/54/36/94/1136543694.db2.gz VYUJULBCCRLMBO-LJQANCHMSA-N 0 3 327.424 3.956 20 10 EHCDHN Cc1ccnc(OC2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC000815089158 1136543821 /nfs/dbraw/zinc/54/38/21/1136543821.db2.gz AHCVINXYOQBIHV-UHFFFAOYSA-N 0 3 339.483 3.808 20 10 EHCDHN Cc1cc(CN[C@@H](CCO)c2ccc(Cl)cc2)ccc1N(C)C ZINC000815118401 1136551931 /nfs/dbraw/zinc/55/19/31/1136551931.db2.gz OSXSTUOIQHDGSM-SFHVURJKSA-N 0 3 332.875 3.928 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000815588407 1136615222 /nfs/dbraw/zinc/61/52/22/1136615222.db2.gz NMHDBORATKKCTD-ICSRJNTNSA-N 0 3 347.462 3.936 20 10 EHCDHN CC(C)OCCN1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816555446 1136736262 /nfs/dbraw/zinc/73/62/62/1136736262.db2.gz DWRXGHRQEUCMJI-UHFFFAOYSA-N 0 3 342.483 3.524 20 10 EHCDHN [O-]c1c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)ccc2ccccc21 ZINC000816560367 1136736679 /nfs/dbraw/zinc/73/66/79/1136736679.db2.gz MNIFLIURASWKAK-HXUWFJFHSA-N 0 3 333.431 3.989 20 10 EHCDHN [O-]c1c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)ccc2ccccc21 ZINC000816560367 1136736682 /nfs/dbraw/zinc/73/66/82/1136736682.db2.gz MNIFLIURASWKAK-HXUWFJFHSA-N 0 3 333.431 3.989 20 10 EHCDHN COc1ccc2c(c1)nc(C[NH2+]Cc1ccc3ccccc3c1[O-])n2C ZINC000816570799 1136738901 /nfs/dbraw/zinc/73/89/01/1136738901.db2.gz HSAAHOCGBTZSMV-UHFFFAOYSA-N 0 3 347.418 3.731 20 10 EHCDHN CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCN3C)c2ccccc21 ZINC000857076006 1136841835 /nfs/dbraw/zinc/84/18/35/1136841835.db2.gz NEEQZUGNKMYFDH-HXUWFJFHSA-N 0 3 349.478 3.657 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2NCCc3ccccc32)c2c1c(F)ccc2[O-] ZINC000817973406 1136853629 /nfs/dbraw/zinc/85/36/29/1136853629.db2.gz FHDGMUAZSWJENL-DQYPLSBCSA-N 0 3 326.415 3.556 20 10 EHCDHN C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984682 1136855677 /nfs/dbraw/zinc/85/56/77/1136855677.db2.gz XIEMKQXMGUPXQF-KOLCDFICSA-N 0 3 347.684 3.601 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCCCNC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984682 1136855681 /nfs/dbraw/zinc/85/56/81/1136855681.db2.gz XIEMKQXMGUPXQF-KOLCDFICSA-N 0 3 347.684 3.601 20 10 EHCDHN COC1CCN(c2ccc(CN3CCC(F)(F)C[C@H]3C)cc2)CC1 ZINC000859839054 1137034040 /nfs/dbraw/zinc/03/40/40/1137034040.db2.gz ULZQMXCMOKVXPD-OAHLLOKOSA-N 0 3 338.442 3.921 20 10 EHCDHN Cc1cc(Cl)cc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000824608250 1137144866 /nfs/dbraw/zinc/14/48/66/1137144866.db2.gz DYZRGBUPHFILAK-UHFFFAOYSA-N 0 3 344.842 3.618 20 10 EHCDHN CN(C)c1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000825310773 1137174045 /nfs/dbraw/zinc/17/40/45/1137174045.db2.gz CQGLVDDKJFZHSN-SFHVURJKSA-N 0 3 330.497 3.808 20 10 EHCDHN CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794808967 1137262040 /nfs/dbraw/zinc/26/20/40/1137262040.db2.gz CZUNJSNXRJYJOH-IBGZPJMESA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794818580 1137265435 /nfs/dbraw/zinc/26/54/35/1137265435.db2.gz UBBAFJAEIDMOLG-RDJZCZTQSA-N 0 3 327.424 3.971 20 10 EHCDHN CC[C@@H]([NH2+]CCNc1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000794820219 1137266838 /nfs/dbraw/zinc/26/68/38/1137266838.db2.gz ZBMUITHJIREINF-LJQANCHMSA-N 0 3 344.455 3.871 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000865651104 1137301548 /nfs/dbraw/zinc/30/15/48/1137301548.db2.gz NXONYNIGQJODBV-MJGOQNOKSA-N 0 3 349.377 3.689 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnc([C@H]3CCCO3)s2)c1 ZINC000845971456 1137322261 /nfs/dbraw/zinc/32/22/61/1137322261.db2.gz KOVPYXSVUJCZRG-MEDUHNTESA-N 0 3 334.441 3.560 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C2(C3CCC3)CC2)c1[O-] ZINC000846055862 1137331011 /nfs/dbraw/zinc/33/10/11/1137331011.db2.gz QUVKILAPZWRALF-UHFFFAOYSA-N 0 3 326.234 3.586 20 10 EHCDHN CCn1cc(CN(C/C=C\c2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000846055125 1137331308 /nfs/dbraw/zinc/33/13/08/1137331308.db2.gz JCDLHIKXCKDJFF-FPLPWBNLSA-N 0 3 326.488 3.893 20 10 EHCDHN Cc1cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794902174 1137332378 /nfs/dbraw/zinc/33/23/78/1137332378.db2.gz POHBAGQEIJPVFJ-IIBYNOLFSA-N 0 3 347.499 3.768 20 10 EHCDHN Cc1cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794902173 1137332526 /nfs/dbraw/zinc/33/25/26/1137332526.db2.gz POHBAGQEIJPVFJ-IERDGZPVSA-N 0 3 347.499 3.768 20 10 EHCDHN COc1cccc([C@@H](C)NCc2ccc(C)nc2N2CCCC2)c1O ZINC000846162467 1137337057 /nfs/dbraw/zinc/33/70/57/1137337057.db2.gz HVGXHVWLFVDVHS-OAHLLOKOSA-N 0 3 341.455 3.555 20 10 EHCDHN c1cnc2c(c1)[C@@H](NCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000866237987 1137337844 /nfs/dbraw/zinc/33/78/44/1137337844.db2.gz LHBLWHITTDHJGO-FQEVSTJZSA-N 0 3 339.508 3.802 20 10 EHCDHN COc1cccc([C@H](C)NCC(=O)Nc2ccc(C)cc2Cl)c1O ZINC000866394651 1137351504 /nfs/dbraw/zinc/35/15/04/1137351504.db2.gz DWBSDZIFMRFHFJ-LBPRGKRZSA-N 0 3 348.830 3.652 20 10 EHCDHN CC[C@H](C)OCC[C@@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001172345958 1137553157 /nfs/dbraw/zinc/55/31/57/1137553157.db2.gz HTVSWILQIFFTAX-MSOLQXFVSA-N 0 3 334.504 3.719 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000872135222 1137573556 /nfs/dbraw/zinc/57/35/56/1137573556.db2.gz GTDYYYYZJVKFES-ROOHIHILSA-N 0 3 345.439 3.572 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000876972229 1137666626 /nfs/dbraw/zinc/66/66/26/1137666626.db2.gz IVNBNRFCXIPKKI-AWEZNQCLSA-N 0 3 326.396 3.508 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000877484246 1137677820 /nfs/dbraw/zinc/67/78/20/1137677820.db2.gz YZGULCGPSRRLRG-HUUCEWRRSA-N 0 3 334.460 3.578 20 10 EHCDHN COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)cc1 ZINC000877540731 1137680563 /nfs/dbraw/zinc/68/05/63/1137680563.db2.gz AUNOJPPEXNIZJG-NRFANRHFSA-N 0 3 341.451 3.655 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000879651291 1137753778 /nfs/dbraw/zinc/75/37/78/1137753778.db2.gz QIDUCRNNRYKNLA-LZWOXQAQSA-N 0 3 344.480 3.857 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2OCC(F)F)c1 ZINC000886153275 1138053561 /nfs/dbraw/zinc/05/35/61/1138053561.db2.gz BESITJHHZCUIKQ-LBPRGKRZSA-N 0 3 337.366 3.896 20 10 EHCDHN COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCOC1 ZINC000886359357 1138070913 /nfs/dbraw/zinc/07/09/13/1138070913.db2.gz AZVSAAFVWZIGHE-AZUAARDMSA-N 0 3 341.451 3.590 20 10 EHCDHN CCc1nc2c(s1)[C@H](N(C)Cc1cccc(OC)c1O)CCC2 ZINC000093767984 1138240781 /nfs/dbraw/zinc/24/07/81/1138240781.db2.gz KILQKVAJGNJPHG-CQSZACIVSA-N 0 3 332.469 3.929 20 10 EHCDHN COCCOc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000122432924 1138258047 /nfs/dbraw/zinc/25/80/47/1138258047.db2.gz ZYPJFANHZAWPMF-OAHLLOKOSA-N 0 3 346.446 3.768 20 10 EHCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2ccc(COC)o2)c1 ZINC000137071065 1138831498 /nfs/dbraw/zinc/83/14/98/1138831498.db2.gz RSTUSSNGYUYGIF-QGZVFWFLSA-N 0 3 331.412 3.867 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccccc1[O-] ZINC000183425936 1140037542 /nfs/dbraw/zinc/03/75/42/1140037542.db2.gz DYAXKQLKIBKWOD-MRXNPFEDSA-N 0 3 325.456 3.874 20 10 EHCDHN COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(C)cc1O ZINC000184883684 1140124171 /nfs/dbraw/zinc/12/41/71/1140124171.db2.gz MDWZUMIFCWKWMI-CYBMUJFWSA-N 0 3 331.412 3.577 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc3c(cc2OC)C[C@H](C)O3)c1 ZINC000184975192 1140129247 /nfs/dbraw/zinc/12/92/47/1140129247.db2.gz LKSGRMNQEIMYOS-STQMWFEESA-N 0 3 343.423 3.584 20 10 EHCDHN COCCCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000186154688 1140189402 /nfs/dbraw/zinc/18/94/02/1140189402.db2.gz XBOPYBNEBOYBJX-CQSZACIVSA-N 0 3 333.403 3.797 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c([O-])c1 ZINC000186337600 1140199047 /nfs/dbraw/zinc/19/90/47/1140199047.db2.gz KKQYVQDHBZSSOQ-XRTORIHISA-N 0 3 326.440 3.577 20 10 EHCDHN CCOc1cccc(CN[C@@H](COC)c2ccc(Cl)cc2)c1O ZINC000193277727 1140570055 /nfs/dbraw/zinc/57/00/55/1140570055.db2.gz YNBYXISZTWORFV-INIZCTEOSA-N 0 3 335.831 3.922 20 10 EHCDHN Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000283057803 1141545195 /nfs/dbraw/zinc/54/51/95/1141545195.db2.gz SVMNKYVRLLLYAT-IBGZPJMESA-N 0 3 333.435 3.960 20 10 EHCDHN CCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000275328030 1016408774 /nfs/dbraw/zinc/40/87/74/1016408774.db2.gz MLKFDZRFQFNNBB-LLVKDONJSA-N 0 3 338.249 3.530 20 10 EHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000155348396 1016533675 /nfs/dbraw/zinc/53/36/75/1016533675.db2.gz KDWCUUPTMAJKHR-CXAGYDPISA-N 0 3 333.453 3.598 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cccnc2C(F)(F)F)c1 ZINC000528436974 1032295648 /nfs/dbraw/zinc/29/56/48/1032295648.db2.gz KQZBNFBWLVWRSY-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN CC[C@H](NCc1cccc(NC(C)=O)c1)c1ccc(N(C)C)cc1 ZINC000155465056 1017797513 /nfs/dbraw/zinc/79/75/13/1017797513.db2.gz CQBFYVKPHONWNT-FQEVSTJZSA-N 0 3 325.456 3.952 20 10 EHCDHN CCN(CC)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756342170 1018583968 /nfs/dbraw/zinc/58/39/68/1018583968.db2.gz OIVABLPUEGGFBZ-NSHDSACASA-N 0 3 347.272 3.676 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000279972207 1019149336 /nfs/dbraw/zinc/14/93/36/1019149336.db2.gz DAJCWCZHTSYMNJ-INIZCTEOSA-N 0 3 345.439 3.967 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc2[nH]c(=O)oc21 ZINC000891436917 1021142952 /nfs/dbraw/zinc/14/29/52/1021142952.db2.gz RRWQLTDFVQPYPI-UHFFFAOYSA-N 0 3 325.412 3.622 20 10 EHCDHN CC[C@H]([NH2+]C1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1[O-] ZINC000897863398 1033214485 /nfs/dbraw/zinc/21/44/85/1033214485.db2.gz ZGCKBFZRWHZZEE-INIZCTEOSA-N 0 3 325.408 3.893 20 10 EHCDHN COC[C@H]1CCCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000696621041 1024760079 /nfs/dbraw/zinc/76/00/79/1024760079.db2.gz QAISAXFVPIUWPZ-ZDUSSCGKSA-N 0 3 342.277 3.712 20 10 EHCDHN COC[C@H]1CCCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000696621041 1024760086 /nfs/dbraw/zinc/76/00/86/1024760086.db2.gz QAISAXFVPIUWPZ-ZDUSSCGKSA-N 0 3 342.277 3.712 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C)c1ccccc1[O-] ZINC000895852567 1024911834 /nfs/dbraw/zinc/91/18/34/1024911834.db2.gz WOROXZMENIWBKW-LLVKDONJSA-N 0 3 339.361 3.723 20 10 EHCDHN C[C@@H](NCc1ccc(C(F)(F)F)nc1N(C)C)c1ccccc1O ZINC000895852567 1024911843 /nfs/dbraw/zinc/91/18/43/1024911843.db2.gz WOROXZMENIWBKW-LLVKDONJSA-N 0 3 339.361 3.723 20 10 EHCDHN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197832 1025371308 /nfs/dbraw/zinc/37/13/08/1025371308.db2.gz YKTARHAMEQJCKQ-UONOGXRCSA-N 0 3 325.474 3.515 20 10 EHCDHN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197832 1025371322 /nfs/dbraw/zinc/37/13/22/1025371322.db2.gz YKTARHAMEQJCKQ-UONOGXRCSA-N 0 3 325.474 3.515 20 10 EHCDHN CCCN(CC(=O)N(C)CC1CCCCC1)Cc1ccccc1O ZINC000303206066 1027495530 /nfs/dbraw/zinc/49/55/30/1027495530.db2.gz POHKCSQGNUIJDJ-UHFFFAOYSA-N 0 3 332.488 3.643 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c1[O-] ZINC000273777554 1027617683 /nfs/dbraw/zinc/61/76/83/1027617683.db2.gz SAQHIRLBUWXKML-GJZGRUSLSA-N 0 3 327.852 3.738 20 10 EHCDHN Cc1nc(C)c(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000119901971 1027839011 /nfs/dbraw/zinc/83/90/11/1027839011.db2.gz JMNDMNQTDRKGMW-LBPRGKRZSA-N 0 3 349.475 3.586 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000271867164 1029208692 /nfs/dbraw/zinc/20/86/92/1029208692.db2.gz WNQNRIGTMMMWNB-OAHLLOKOSA-N 0 3 341.904 3.888 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528002647 1031565526 /nfs/dbraw/zinc/56/55/26/1031565526.db2.gz ZFRRSDPHSWCBJY-ZBEGNZNMSA-N 0 3 330.815 3.568 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@]2(C)CCOc3ccccc32)c1[O-] ZINC000897386260 1031632092 /nfs/dbraw/zinc/63/20/92/1031632092.db2.gz UDEUGEQVSCWRCH-GOSISDBHSA-N 0 3 333.815 3.842 20 10 EHCDHN COc1cc(Cl)cc(CN[C@]2(C)CCOc3ccccc32)c1O ZINC000897386260 1031632110 /nfs/dbraw/zinc/63/21/10/1031632110.db2.gz UDEUGEQVSCWRCH-GOSISDBHSA-N 0 3 333.815 3.842 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1 ZINC000760171779 1031765279 /nfs/dbraw/zinc/76/52/79/1031765279.db2.gz PCGKZICCHMHFOU-LSDHHAIUSA-N 0 3 345.874 3.983 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2C(C)C)c1 ZINC000182361189 1038587785 /nfs/dbraw/zinc/58/77/85/1038587785.db2.gz MRLUQLAZMAGLSB-AWEZNQCLSA-N 0 3 342.439 3.814 20 10 EHCDHN C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000905741907 1039077886 /nfs/dbraw/zinc/07/78/86/1039077886.db2.gz OYNPZBCVKXCAMJ-HEFCMCLBSA-N 0 3 339.435 3.586 20 10 EHCDHN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000905741907 1039077901 /nfs/dbraw/zinc/07/79/01/1039077901.db2.gz OYNPZBCVKXCAMJ-HEFCMCLBSA-N 0 3 339.435 3.586 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccccc1[O-] ZINC000155876743 1039174478 /nfs/dbraw/zinc/17/44/78/1039174478.db2.gz YYUDZQZOWAEFNN-UYAOXDASSA-N 0 3 329.440 3.954 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000150993156 1040471081 /nfs/dbraw/zinc/47/10/81/1040471081.db2.gz HVKYDJVHZACZHA-HNNXBMFYSA-N 0 3 344.430 3.522 20 10 EHCDHN CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000759791121 1040718734 /nfs/dbraw/zinc/71/87/34/1040718734.db2.gz QOXISZPICZBMIS-UHFFFAOYSA-N 0 3 334.460 3.662 20 10 EHCDHN CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000759791121 1040718739 /nfs/dbraw/zinc/71/87/39/1040718739.db2.gz QOXISZPICZBMIS-UHFFFAOYSA-N 0 3 334.460 3.662 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000156427787 1041198543 /nfs/dbraw/zinc/19/85/43/1041198543.db2.gz HOYMZYMHIXQAJD-WBMJQRKESA-N 0 3 346.377 3.517 20 10 EHCDHN COc1cc(Br)cc(C[N@H+](C)[C@H](C)CCSC)c1[O-] ZINC000093558610 1042358664 /nfs/dbraw/zinc/35/86/64/1042358664.db2.gz VDQQOXNVJFGLOU-SNVBAGLBSA-N 0 3 348.306 3.737 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)CCSC)c1[O-] ZINC000093558610 1042358666 /nfs/dbraw/zinc/35/86/66/1042358666.db2.gz VDQQOXNVJFGLOU-SNVBAGLBSA-N 0 3 348.306 3.737 20 10 EHCDHN COc1ccc(N2CCC(N[C@H](C)c3nc(C)cs3)CC2)cc1 ZINC000162352095 1042721976 /nfs/dbraw/zinc/72/19/76/1042721976.db2.gz JEQCXYTZTIUKRT-CQSZACIVSA-N 0 3 331.485 3.780 20 10 EHCDHN C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000184999494 1126732076 /nfs/dbraw/zinc/73/20/76/1126732076.db2.gz GLWOBPVUAIKEIU-AWEZNQCLSA-N 0 3 325.387 3.627 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)c([O-])c1 ZINC000185174296 1126803189 /nfs/dbraw/zinc/80/31/89/1126803189.db2.gz BTXFTMVPYUGKJT-HUUCEWRRSA-N 0 3 330.497 3.860 20 10 EHCDHN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000765327666 1127597824 /nfs/dbraw/zinc/59/78/24/1127597824.db2.gz BFUMTKGVEGGJAL-IAGOWNOFSA-N 0 3 342.487 3.712 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000765627569 1127713897 /nfs/dbraw/zinc/71/38/97/1127713897.db2.gz YPPSFOWYLZIQMW-GFCCVEGCSA-N 0 3 348.830 3.561 20 10 EHCDHN Fc1cc(CNCc2ccc3c(c2)CCCO3)ccc1-n1ccnc1 ZINC000921590774 1127758907 /nfs/dbraw/zinc/75/89/07/1127758907.db2.gz ROLDJDRWPRDATC-UHFFFAOYSA-N 0 3 337.398 3.626 20 10 EHCDHN COc1ccc([C@@H]2C[C@H]([NH2+][C@H](C)c3ccccc3[O-])CCO2)cc1 ZINC001168593782 1128205515 /nfs/dbraw/zinc/20/55/15/1128205515.db2.gz FANKXVSGAONJMY-KKVAFCGZSA-N 0 3 327.424 3.972 20 10 EHCDHN Cc1ccc([C@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c(O)c1 ZINC000186401466 1128425122 /nfs/dbraw/zinc/42/51/22/1128425122.db2.gz AEFRXNSWBGGIRR-INIZCTEOSA-N 0 3 325.456 3.626 20 10 EHCDHN CCCOc1ccc(CNC/C=C/c2ccc(N(C)C)cc2)cn1 ZINC001648824762 1120049946 /nfs/dbraw/zinc/04/99/46/1120049946.db2.gz OJWAAFMJZJQNRL-AATRIKPKSA-N 0 3 325.456 3.739 20 10 EHCDHN Cc1ccc(OC[C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001648956976 1120270311 /nfs/dbraw/zinc/27/03/11/1120270311.db2.gz UWMHVIJTBZNYIF-CQSZACIVSA-N 0 3 334.410 3.896 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc([S@](C)=O)cc1 ZINC000921931265 1128933690 /nfs/dbraw/zinc/93/36/90/1128933690.db2.gz DLOPOBXGAXMVNN-PSLXWICFSA-N 0 3 329.465 3.600 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000914796201 1120989481 /nfs/dbraw/zinc/98/94/81/1120989481.db2.gz XADSICIBZHVGPV-UHFFFAOYSA-N 0 3 339.483 3.524 20 10 EHCDHN COc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)cc1 ZINC000154146131 1122331140 /nfs/dbraw/zinc/33/11/40/1122331140.db2.gz VBBYMBINKWQUTC-OAHLLOKOSA-N 0 3 326.440 3.720 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000179878887 1123885675 /nfs/dbraw/zinc/88/56/75/1123885675.db2.gz ZKDWAFWAPXMVKV-MEDUHNTESA-N 0 3 325.330 3.795 20 10 EHCDHN C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000183041199 1125421809 /nfs/dbraw/zinc/42/18/09/1125421809.db2.gz WNOWPBLJJDYVBG-INIZCTEOSA-N 0 3 327.424 3.582 20 10 EHCDHN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000183041199 1125421811 /nfs/dbraw/zinc/42/18/11/1125421811.db2.gz WNOWPBLJJDYVBG-INIZCTEOSA-N 0 3 327.424 3.582 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@H](C)C2)c1[O-] ZINC000922840827 1129685147 /nfs/dbraw/zinc/68/51/47/1129685147.db2.gz BCIJIVMAYOQLIG-BXKDBHETSA-N 0 3 346.290 3.537 20 10 EHCDHN CCCN(CC(=O)N(CC)Cc1ccccc1)Cc1ccccc1O ZINC000727831305 1130598422 /nfs/dbraw/zinc/59/84/22/1130598422.db2.gz VDVKERKBRBLGDS-UHFFFAOYSA-N 0 3 340.467 3.653 20 10 EHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCC1 ZINC000731845693 1130849583 /nfs/dbraw/zinc/84/95/83/1130849583.db2.gz HOSMAJOOINNVSI-UHFFFAOYSA-N 0 3 330.472 3.586 20 10 EHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCC1 ZINC000731845693 1130849590 /nfs/dbraw/zinc/84/95/90/1130849590.db2.gz HOSMAJOOINNVSI-UHFFFAOYSA-N 0 3 330.472 3.586 20 10 EHCDHN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000732189748 1130892651 /nfs/dbraw/zinc/89/26/51/1130892651.db2.gz UOJSGWRQNVGSHZ-INIZCTEOSA-N 0 3 336.435 3.960 20 10 EHCDHN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000732189748 1130892659 /nfs/dbraw/zinc/89/26/59/1130892659.db2.gz UOJSGWRQNVGSHZ-INIZCTEOSA-N 0 3 336.435 3.960 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000733334983 1131028126 /nfs/dbraw/zinc/02/81/26/1131028126.db2.gz WRXKFWGKRRIHRS-SFHVURJKSA-N 0 3 348.849 3.939 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c([O-])c1 ZINC000742377509 1131718546 /nfs/dbraw/zinc/71/85/46/1131718546.db2.gz NDMPKPREPGGWDM-GOSISDBHSA-N 0 3 335.831 3.922 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@@H]1Cc3ccc(Cl)cc3C1)CCC2 ZINC001172723739 1131824509 /nfs/dbraw/zinc/82/45/09/1131824509.db2.gz ITFMUJGVJRLTSY-QGZVFWFLSA-N 0 3 329.827 3.667 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1[O-] ZINC000743377074 1131913007 /nfs/dbraw/zinc/91/30/07/1131913007.db2.gz XEZISNDNQQZHEK-STQMWFEESA-N 0 3 345.464 3.658 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000743869861 1131996573 /nfs/dbraw/zinc/99/65/73/1131996573.db2.gz CVINOIIRBJTOHZ-SJLPKXTDSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000743869861 1131996581 /nfs/dbraw/zinc/99/65/81/1131996581.db2.gz CVINOIIRBJTOHZ-SJLPKXTDSA-N 0 3 332.488 3.784 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ccccc2[O-])c1F ZINC001173198452 1131997621 /nfs/dbraw/zinc/99/76/21/1131997621.db2.gz ZRCDGBFSUFFUKB-LBPRGKRZSA-N 0 3 348.374 3.511 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2ccccc2[O-])c1F ZINC001173198452 1131997629 /nfs/dbraw/zinc/99/76/29/1131997629.db2.gz ZRCDGBFSUFFUKB-LBPRGKRZSA-N 0 3 348.374 3.511 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000773419710 1132496192 /nfs/dbraw/zinc/49/61/92/1132496192.db2.gz ZDQPNWZEBMEEQJ-IBGZPJMESA-N 0 3 339.435 3.835 20 10 EHCDHN C[C@H](COc1cccc(F)c1)NCc1cc(F)c(N(C)C)cc1F ZINC001177446152 1133067660 /nfs/dbraw/zinc/06/76/60/1133067660.db2.gz CNJYPHXFMLEKGU-GFCCVEGCSA-N 0 3 338.373 3.727 20 10 EHCDHN Brc1ccc(CNCCCSc2nccs2)nc1 ZINC001177904957 1133110839 /nfs/dbraw/zinc/11/08/39/1133110839.db2.gz LWEKQDRPRVILLV-UHFFFAOYSA-N 0 3 344.303 3.573 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccccc1)CC1CCC1)[C@@H](O)CO2 ZINC000768443184 1133139014 /nfs/dbraw/zinc/13/90/14/1133139014.db2.gz QYPALGIYXNRBPB-FQEVSTJZSA-N 0 3 339.435 3.620 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccccc1)CC1CCC1)[C@@H](O)CO2 ZINC000768443184 1133139017 /nfs/dbraw/zinc/13/90/17/1133139017.db2.gz QYPALGIYXNRBPB-FQEVSTJZSA-N 0 3 339.435 3.620 20 10 EHCDHN C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465515 1133144131 /nfs/dbraw/zinc/14/41/31/1133144131.db2.gz ILMUYLLNJOVJFF-LLSQANQASA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465515 1133144135 /nfs/dbraw/zinc/14/41/35/1133144135.db2.gz ILMUYLLNJOVJFF-LLSQANQASA-N 0 3 343.398 3.540 20 10 EHCDHN CCOc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000769425385 1133282267 /nfs/dbraw/zinc/28/22/67/1133282267.db2.gz RFZRSHSOAHTOLQ-FQEVSTJZSA-N 0 3 341.451 3.663 20 10 EHCDHN CCOc1ccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000769425385 1133282272 /nfs/dbraw/zinc/28/22/72/1133282272.db2.gz RFZRSHSOAHTOLQ-FQEVSTJZSA-N 0 3 341.451 3.663 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c([O-])c1 ZINC000769452576 1133293749 /nfs/dbraw/zinc/29/37/49/1133293749.db2.gz YCWGODLLTDITHL-LJQANCHMSA-N 0 3 340.467 3.892 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c([O-])c1 ZINC000769452576 1133293751 /nfs/dbraw/zinc/29/37/51/1133293751.db2.gz YCWGODLLTDITHL-LJQANCHMSA-N 0 3 340.467 3.892 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235553 1133348932 /nfs/dbraw/zinc/34/89/32/1133348932.db2.gz YRXWSSCTHFYURZ-RDJZCZTQSA-N 0 3 348.487 3.826 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235553 1133348939 /nfs/dbraw/zinc/34/89/39/1133348939.db2.gz YRXWSSCTHFYURZ-RDJZCZTQSA-N 0 3 348.487 3.826 20 10 EHCDHN COC(=O)c1c(CN2C[C@@H](C)CC(C)(C)C2)c2cc(F)ccc2n1C ZINC001180322013 1133361250 /nfs/dbraw/zinc/36/12/50/1133361250.db2.gz CKSVWTXNKUZJKG-ZDUSSCGKSA-N 0 3 346.446 3.972 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000770332701 1133405969 /nfs/dbraw/zinc/40/59/69/1133405969.db2.gz QZJGVBVCHSAECG-OAHLLOKOSA-N 0 3 349.471 3.735 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000770332701 1133405973 /nfs/dbraw/zinc/40/59/73/1133405973.db2.gz QZJGVBVCHSAECG-OAHLLOKOSA-N 0 3 349.471 3.735 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770328274 1133412197 /nfs/dbraw/zinc/41/21/97/1133412197.db2.gz NLSGIRKBMZBDHH-LPHOPBHVSA-N 0 3 345.414 3.628 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770328274 1133412202 /nfs/dbraw/zinc/41/22/02/1133412202.db2.gz NLSGIRKBMZBDHH-LPHOPBHVSA-N 0 3 345.414 3.628 20 10 EHCDHN COc1cc(C)c(C[N@H+](CCN(C)C)CC2CCCCC2)c([O-])c1 ZINC001181471097 1133491131 /nfs/dbraw/zinc/49/11/31/1133491131.db2.gz BSXSNOAVBVRGJK-UHFFFAOYSA-N 0 3 334.504 3.653 20 10 EHCDHN COc1cc(C)c(C[N@@H+](CCN(C)C)CC2CCCCC2)c([O-])c1 ZINC001181471097 1133491134 /nfs/dbraw/zinc/49/11/34/1133491134.db2.gz BSXSNOAVBVRGJK-UHFFFAOYSA-N 0 3 334.504 3.653 20 10 EHCDHN COc1cc(C)c(C[NH2+]CCc2nc3ccccc3s2)c([O-])c1 ZINC001181556426 1133500229 /nfs/dbraw/zinc/50/02/29/1133500229.db2.gz WAKJFKYZEOATSC-UHFFFAOYSA-N 0 3 328.437 3.651 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cc(F)ccc1F ZINC000774480343 1133687165 /nfs/dbraw/zinc/68/71/65/1133687165.db2.gz AIIMZWFTYSPTAK-STQMWFEESA-N 0 3 347.409 3.709 20 10 EHCDHN COc1ccc(CN2CCc3cc(C)cc(C)c3C2)c(O)c1OC ZINC001184429315 1133940602 /nfs/dbraw/zinc/94/06/02/1133940602.db2.gz WCRMPKOEBZKXND-UHFFFAOYSA-N 0 3 327.424 3.585 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(CCCC2)O1 ZINC000788018288 1134064496 /nfs/dbraw/zinc/06/44/96/1134064496.db2.gz AEMSQGGCHICTDT-OALUTQOASA-N 0 3 345.483 3.865 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(CCCC2)O1 ZINC000788018288 1134064503 /nfs/dbraw/zinc/06/45/03/1134064503.db2.gz AEMSQGGCHICTDT-OALUTQOASA-N 0 3 345.483 3.865 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1[O-] ZINC000775129682 1134351959 /nfs/dbraw/zinc/35/19/59/1134351959.db2.gz IQKQNIRCXCDKQU-MEDUHNTESA-N 0 3 336.229 3.539 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775137025 1134366963 /nfs/dbraw/zinc/36/69/63/1134366963.db2.gz QBNJYWYLKZMFNY-BZNIZROVSA-N 0 3 325.330 3.795 20 10 EHCDHN Cc1cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000790408013 1134411843 /nfs/dbraw/zinc/41/18/43/1134411843.db2.gz SIOCSAUBSGCEFJ-GCKMJXCFSA-N 0 3 347.499 3.766 20 10 EHCDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CC[C@H](C)C1 ZINC000792193496 1134666121 /nfs/dbraw/zinc/66/61/21/1134666121.db2.gz XJZKGJJTQFUYPN-SWLSCSKDSA-N 0 3 327.852 3.691 20 10 EHCDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CC[C@H](C)C1 ZINC000792193496 1134666126 /nfs/dbraw/zinc/66/61/26/1134666126.db2.gz XJZKGJJTQFUYPN-SWLSCSKDSA-N 0 3 327.852 3.691 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353082 1134754035 /nfs/dbraw/zinc/75/40/35/1134754035.db2.gz VLHAWGMLJXMWDO-CQSZACIVSA-N 0 3 344.411 3.762 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353082 1134754041 /nfs/dbraw/zinc/75/40/41/1134754041.db2.gz VLHAWGMLJXMWDO-CQSZACIVSA-N 0 3 344.411 3.762 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2c1c(F)ccc2[O-] ZINC000793576009 1134961409 /nfs/dbraw/zinc/96/14/09/1134961409.db2.gz XBYKZFVZGYMSKO-BZNIZROVSA-N 0 3 325.387 3.788 20 10 EHCDHN CCOc1ccc(O)c(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000793614198 1134972925 /nfs/dbraw/zinc/97/29/25/1134972925.db2.gz OSSPXGAZCSSJSS-CABCVRRESA-N 0 3 330.255 3.807 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000775512797 1134982780 /nfs/dbraw/zinc/98/27/80/1134982780.db2.gz MYRPTIWGGYNUEI-DYVFJYSZSA-N 0 3 332.394 3.990 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1N1CCOCC1)c1ccccc1[O-] ZINC000775513064 1134983242 /nfs/dbraw/zinc/98/32/42/1134983242.db2.gz NKPWAUUOZKCKQT-LJQANCHMSA-N 0 3 340.467 3.778 20 10 EHCDHN CCOc1ccc(CN[C@@H](COC)c2cccc(Cl)c2)c(O)c1 ZINC000808455266 1135670631 /nfs/dbraw/zinc/67/06/31/1135670631.db2.gz YTYGLNFFUIZMKU-KRWDZBQOSA-N 0 3 335.831 3.922 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)c([O-])c1 ZINC000808455266 1135670634 /nfs/dbraw/zinc/67/06/34/1135670634.db2.gz YTYGLNFFUIZMKU-KRWDZBQOSA-N 0 3 335.831 3.922 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000808706407 1135716810 /nfs/dbraw/zinc/71/68/10/1135716810.db2.gz JLVJLBHUHOHVAA-UKRRQHHQSA-N 0 3 339.863 3.733 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOCC2CCOCC2)c1[O-] ZINC000808697628 1135725321 /nfs/dbraw/zinc/72/53/21/1135725321.db2.gz PHFHJQAZKYGPSH-CQSZACIVSA-N 0 3 341.879 3.838 20 10 EHCDHN CC(C)N(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000775830254 1135783513 /nfs/dbraw/zinc/78/35/13/1135783513.db2.gz GCKYZHBJXJWVJI-MRXNPFEDSA-N 0 3 331.504 3.583 20 10 EHCDHN COC(=O)c1cc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)s1 ZINC000775829885 1135783839 /nfs/dbraw/zinc/78/38/39/1135783839.db2.gz ABPDZNIYHCVJCS-GFCCVEGCSA-N 0 3 332.469 3.760 20 10 EHCDHN C[C@@H](O)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000809574738 1135852261 /nfs/dbraw/zinc/85/22/61/1135852261.db2.gz SQBUVDVSKNUKRQ-CYBMUJFWSA-N 0 3 332.469 3.847 20 10 EHCDHN C[C@@H](O)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000809574738 1135852266 /nfs/dbraw/zinc/85/22/66/1135852266.db2.gz SQBUVDVSKNUKRQ-CYBMUJFWSA-N 0 3 332.469 3.847 20 10 EHCDHN CCOC1CC(N(C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000809774693 1135880992 /nfs/dbraw/zinc/88/09/92/1135880992.db2.gz XFIJYCRNRMHZOQ-UHFFFAOYSA-N 0 3 347.459 3.584 20 10 EHCDHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003986 1135915570 /nfs/dbraw/zinc/91/55/70/1135915570.db2.gz YYQONYNALUAEFU-GXFFZTMASA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003986 1135915573 /nfs/dbraw/zinc/91/55/73/1135915573.db2.gz YYQONYNALUAEFU-GXFFZTMASA-N 0 3 328.250 3.784 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)c(OC)n1 ZINC000810261264 1135944407 /nfs/dbraw/zinc/94/44/07/1135944407.db2.gz UOXFQBHAVAGCSX-NSHDSACASA-N 0 3 336.819 3.617 20 10 EHCDHN CN(C)c1ccc(/C=C\CNCc2cccc3c2OCCCO3)cc1 ZINC001201289552 1136001231 /nfs/dbraw/zinc/00/12/31/1136001231.db2.gz YTIZLTCNJAUKOF-XQRVVYSFSA-N 0 3 338.451 3.717 20 10 EHCDHN CCC1(O)CCC([NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000776257555 1136113209 /nfs/dbraw/zinc/11/32/09/1136113209.db2.gz YHNHUJPMIVKLLH-UHFFFAOYSA-N 0 3 342.277 3.636 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000850344200 1136237661 /nfs/dbraw/zinc/23/76/61/1136237661.db2.gz DIFQSECLDBYHEE-CQSZACIVSA-N 0 3 346.858 3.670 20 10 EHCDHN CCOc1ccc(CNCc2cccc(OC3CC3)c2F)c(O)c1 ZINC000850365229 1136241938 /nfs/dbraw/zinc/24/19/38/1136241938.db2.gz KKKKOYYFMYTOAN-UHFFFAOYSA-N 0 3 331.387 3.761 20 10 EHCDHN COc1cc(CN[C@H]2C[C@@H](O)c3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850375507 1136244826 /nfs/dbraw/zinc/24/48/26/1136244826.db2.gz RBQYMMUFVCNESA-RBUKOAKNSA-N 0 3 341.451 3.966 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c1[O-] ZINC000850570085 1136288590 /nfs/dbraw/zinc/28/85/90/1136288590.db2.gz DCZFZWYUXXMVJW-RYUDHWBXSA-N 0 3 342.277 3.929 20 10 EHCDHN Cc1ccc([C@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1C ZINC000850485704 1136268145 /nfs/dbraw/zinc/26/81/45/1136268145.db2.gz MVBZXBVDHWHKGR-NSHDSACASA-N 0 3 325.334 3.669 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850499971 1136271950 /nfs/dbraw/zinc/27/19/50/1136271950.db2.gz BIVNSLBNLOHLIH-LRDDRELGSA-N 0 3 344.842 3.592 20 10 EHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000850505623 1136273221 /nfs/dbraw/zinc/27/32/21/1136273221.db2.gz UHSPCZHCSHWUKM-ZFWWWQNUSA-N 0 3 329.362 3.859 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000850566634 1136287288 /nfs/dbraw/zinc/28/72/88/1136287288.db2.gz QFWGVBOFCIDZKM-CQSZACIVSA-N 0 3 346.421 3.777 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cc(F)ccc2OC(F)F)c1O ZINC000850569351 1136288662 /nfs/dbraw/zinc/28/86/62/1136288662.db2.gz AUPVOPHJTJPDPO-SNVBAGLBSA-N 0 3 341.329 3.992 20 10 EHCDHN CCN(CC)C(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815566418 1136611636 /nfs/dbraw/zinc/61/16/36/1136611636.db2.gz SUHJRHVDEDGHFO-LJQANCHMSA-N 0 3 340.467 3.524 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000815576855 1136613142 /nfs/dbraw/zinc/61/31/42/1136613142.db2.gz ZRPWBTXMRMRFMV-NQIIRXRSSA-N 0 3 336.479 3.892 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(CCO)CC1 ZINC000815618700 1136619782 /nfs/dbraw/zinc/61/97/82/1136619782.db2.gz RZZHUIRJRVYKCO-IBGZPJMESA-N 0 3 325.452 3.818 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])[C@@H]1n1cccn1 ZINC000815661081 1136623355 /nfs/dbraw/zinc/62/33/55/1136623355.db2.gz SCZMCVDYAMQTRG-SJWGOKEGSA-N 0 3 349.862 3.620 20 10 EHCDHN Cc1nccnc1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815650998 1136626400 /nfs/dbraw/zinc/62/64/00/1136626400.db2.gz HDUXRCNCGBWNPM-OAQYLSRUSA-N 0 3 347.462 3.997 20 10 EHCDHN COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548628 1136732330 /nfs/dbraw/zinc/73/23/30/1136732330.db2.gz NHMYRAXJYWADAE-UHFFFAOYSA-N 0 3 338.363 3.752 20 10 EHCDHN COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000817587828 1136826438 /nfs/dbraw/zinc/82/64/38/1136826438.db2.gz IVQYPRDTLKCWMS-QWHCGFSZSA-N 0 3 327.852 3.589 20 10 EHCDHN COc1ccc([C@H](C)N[C@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000858502342 1136973982 /nfs/dbraw/zinc/97/39/82/1136973982.db2.gz JVNGASYANBZGES-QWHCGFSZSA-N 0 3 331.412 3.830 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000858498687 1136974035 /nfs/dbraw/zinc/97/40/35/1136974035.db2.gz SCLCPVDJWUFNEO-LJQANCHMSA-N 0 3 326.440 3.924 20 10 EHCDHN CN(C)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)n1C ZINC000822437969 1137059876 /nfs/dbraw/zinc/05/98/76/1137059876.db2.gz ACDAWAQSGWUROJ-UHFFFAOYSA-N 0 3 342.487 3.527 20 10 EHCDHN CN(C)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)n1C ZINC000822437969 1137059878 /nfs/dbraw/zinc/05/98/78/1137059878.db2.gz ACDAWAQSGWUROJ-UHFFFAOYSA-N 0 3 342.487 3.527 20 10 EHCDHN CC[C@@H](C)[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862386927 1137141911 /nfs/dbraw/zinc/14/19/11/1137141911.db2.gz DKISYTPWQMTDBC-MRXNPFEDSA-N 0 3 329.440 3.564 20 10 EHCDHN CC[C@@H](C)[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862386927 1137141912 /nfs/dbraw/zinc/14/19/12/1137141912.db2.gz DKISYTPWQMTDBC-MRXNPFEDSA-N 0 3 329.440 3.564 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2CCC(OC(F)F)CC2)c1[O-] ZINC000825145255 1137167260 /nfs/dbraw/zinc/16/72/60/1137167260.db2.gz XVIVTGCQGMCAAF-UHFFFAOYSA-N 0 3 335.778 3.694 20 10 EHCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC(F)(F)F ZINC001143878725 1137208073 /nfs/dbraw/zinc/20/80/73/1137208073.db2.gz IFCYZEXBMOVTHH-UHFFFAOYSA-N 0 3 341.329 3.931 20 10 EHCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC(F)(F)F ZINC001143878725 1137208075 /nfs/dbraw/zinc/20/80/75/1137208075.db2.gz IFCYZEXBMOVTHH-UHFFFAOYSA-N 0 3 341.329 3.931 20 10 EHCDHN CCOC(=O)N[C@@H](C[NH2+][C@@H](CC)c1ccc(C)cc1[O-])CC(C)C ZINC000794794762 1137250930 /nfs/dbraw/zinc/25/09/30/1137250930.db2.gz QVISUFVHZSFRPQ-WBVHZDCISA-N 0 3 336.476 3.902 20 10 EHCDHN CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794816932 1137265546 /nfs/dbraw/zinc/26/55/46/1137265546.db2.gz RUZVGSYYMJBKSA-YJBOKZPZSA-N 0 3 348.487 3.998 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](OCC(C)C)C3)c2c1 ZINC000120828239 1137321613 /nfs/dbraw/zinc/32/16/13/1137321613.db2.gz QZYUDOHZDOYRAZ-KRWDZBQOSA-N 0 3 329.440 3.801 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](OCC(C)C)C3)c2c1 ZINC000120828239 1137321615 /nfs/dbraw/zinc/32/16/15/1137321615.db2.gz QZYUDOHZDOYRAZ-KRWDZBQOSA-N 0 3 329.440 3.801 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cccc(C(F)(F)F)n2)c1O ZINC000846170437 1137337912 /nfs/dbraw/zinc/33/79/12/1137337912.db2.gz NTGVMHQNXMIZLC-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(F)ccc1[O-] ZINC000866421840 1137353516 /nfs/dbraw/zinc/35/35/16/1137353516.db2.gz CCJFXJRXVLWJOG-CYBMUJFWSA-N 0 3 331.387 3.602 20 10 EHCDHN CCc1ccccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000772949894 1137362922 /nfs/dbraw/zinc/36/29/22/1137362922.db2.gz YPXGEKJIDJZAQF-OAHLLOKOSA-N 0 3 325.456 3.604 20 10 EHCDHN Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000773017612 1137459458 /nfs/dbraw/zinc/45/94/58/1137459458.db2.gz SIRVDEVMLPWPET-OXQOHEQNSA-N 0 3 337.467 3.517 20 10 EHCDHN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000773121421 1137466769 /nfs/dbraw/zinc/46/67/69/1137466769.db2.gz ZHGXXQUNECZGPZ-WBMJQRKESA-N 0 3 348.384 3.780 20 10 EHCDHN O[C@@H]([C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000123664677 1137545538 /nfs/dbraw/zinc/54/55/38/1137545538.db2.gz GDXSZBUDUNIGQK-SJORKVTESA-N 0 3 342.405 3.565 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc([O-])c3F)C2)cc1 ZINC000872079630 1137570170 /nfs/dbraw/zinc/57/01/70/1137570170.db2.gz JTBWPNIOFYVDTO-GJZGRUSLSA-N 0 3 344.430 3.717 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c([O-])c1 ZINC000876989557 1137667228 /nfs/dbraw/zinc/66/72/28/1137667228.db2.gz XYKIXSDXYYPKAY-INIZCTEOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000877054374 1137668888 /nfs/dbraw/zinc/66/88/88/1137668888.db2.gz HMZYCDQOXCSCOC-HNAYVOBHSA-N 0 3 330.497 3.935 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000877612914 1137683066 /nfs/dbraw/zinc/68/30/66/1137683066.db2.gz QLWHLASLFXKTQU-HOCLYGCPSA-N 0 3 341.455 3.662 20 10 EHCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c(SC)cc1OC ZINC000877757126 1137688258 /nfs/dbraw/zinc/68/82/58/1137688258.db2.gz IETXPGHDZDHIKE-LBPRGKRZSA-N 0 3 333.453 3.982 20 10 EHCDHN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651683 1137753780 /nfs/dbraw/zinc/75/37/80/1137753780.db2.gz HEBMMSVLQLYBGH-JYJNAYRXSA-N 0 3 326.440 3.617 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000882989924 1137840634 /nfs/dbraw/zinc/84/06/34/1137840634.db2.gz OMTDVZSPLWHUPH-UHFFFAOYSA-N 0 3 342.418 3.544 20 10 EHCDHN C[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000131307046 1138508506 /nfs/dbraw/zinc/50/85/06/1138508506.db2.gz BUDOYXZFLYZQSP-OAHLLOKOSA-N 0 3 325.456 3.787 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177974981 1139659246 /nfs/dbraw/zinc/65/92/46/1139659246.db2.gz VZDGVZKQLFNECR-VOIUYBSRSA-N 0 3 342.508 3.875 20 10 EHCDHN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccccc3[O-])CC2)oc1C ZINC000183509085 1140043560 /nfs/dbraw/zinc/04/35/60/1140043560.db2.gz HEZIPYYUBUNOLX-OAHLLOKOSA-N 0 3 343.471 3.560 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)c2nccs2)c1[O-] ZINC000184744863 1140118849 /nfs/dbraw/zinc/11/88/49/1140118849.db2.gz SELGPKAUIZLGNP-JTQLQIEISA-N 0 3 326.849 3.746 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)c2nccs2)c1[O-] ZINC000184744863 1140118850 /nfs/dbraw/zinc/11/88/50/1140118850.db2.gz SELGPKAUIZLGNP-JTQLQIEISA-N 0 3 326.849 3.746 20 10 EHCDHN CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184958474 1140127872 /nfs/dbraw/zinc/12/78/72/1140127872.db2.gz YJQBGSXKZZZKJC-CQSZACIVSA-N 0 3 344.430 3.864 20 10 EHCDHN C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185049424 1140133956 /nfs/dbraw/zinc/13/39/56/1140133956.db2.gz RQRQGYIATCNXKY-KDOFPFPSSA-N 0 3 342.414 3.546 20 10 EHCDHN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC000268892525 1141019378 /nfs/dbraw/zinc/01/93/78/1141019378.db2.gz YLCZTANUQSRAHK-AWEZNQCLSA-N 0 3 346.858 3.572 20 10 EHCDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cccnc1 ZINC000271379790 1141354316 /nfs/dbraw/zinc/35/43/16/1141354316.db2.gz QRCZOMWEVMQADR-OWCLPIDISA-N 0 3 343.446 3.685 20 10 EHCDHN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CN1CCCCC1 ZINC000038041809 202090860 /nfs/dbraw/zinc/09/08/60/202090860.db2.gz PWPJUIJMOWRQFG-GFCCVEGCSA-N 0 3 331.287 3.911 20 10 EHCDHN C[C@H](CNCc1cc(Cl)cc(Cl)c1[O-])C[NH+]1CCCCC1 ZINC000038041809 202090863 /nfs/dbraw/zinc/09/08/63/202090863.db2.gz PWPJUIJMOWRQFG-GFCCVEGCSA-N 0 3 331.287 3.911 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1[O-] ZINC000359959560 201118768 /nfs/dbraw/zinc/11/87/68/201118768.db2.gz WXIZWLIGGGJMSM-KBXCAEBGSA-N 0 3 347.842 3.922 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000278709811 1032085416 /nfs/dbraw/zinc/08/54/16/1032085416.db2.gz VONABQQIUHJZDQ-COPLHBTASA-N 0 3 328.250 3.539 20 10 EHCDHN Cc1cc(Br)cc(CN2CCC(OC(C)C)CC2)c1O ZINC000695088591 1016937253 /nfs/dbraw/zinc/93/72/53/1016937253.db2.gz BTQNSMBRBDJLCN-UHFFFAOYSA-N 0 3 342.277 3.853 20 10 EHCDHN C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183502582 1032175385 /nfs/dbraw/zinc/17/53/85/1032175385.db2.gz PJRYAKXZRZVTPQ-CABCVRRESA-N 0 3 334.460 3.690 20 10 EHCDHN C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183522970 1032177396 /nfs/dbraw/zinc/17/73/96/1032177396.db2.gz GURADOWYCHJESC-MRXNPFEDSA-N 0 3 338.451 3.595 20 10 EHCDHN COc1cc(C)cc(CN[C@H]2CCCOc3ccc(F)cc32)c1O ZINC000894200861 1019129714 /nfs/dbraw/zinc/12/97/14/1019129714.db2.gz ROUWPIJNPIPITN-INIZCTEOSA-N 0 3 331.387 3.852 20 10 EHCDHN COc1cc(C)cc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1O ZINC000894206604 1019196822 /nfs/dbraw/zinc/19/68/22/1019196822.db2.gz GTTCVNPYKBPNTE-PKOBYXMFSA-N 0 3 345.414 3.858 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(C)cc1[O-] ZINC000280106072 1020088221 /nfs/dbraw/zinc/08/82/21/1020088221.db2.gz NKBIRKZRRUGWJO-IBGZPJMESA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280196154 1020161643 /nfs/dbraw/zinc/16/16/43/1020161643.db2.gz SOCBKZGWXJVOHK-OALUTQOASA-N 0 3 329.440 3.874 20 10 EHCDHN [O-]c1ccc(Cl)cc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000074314582 1021099053 /nfs/dbraw/zinc/09/90/53/1021099053.db2.gz ARBPUMNKZLVASH-UHFFFAOYSA-N 0 3 330.859 3.800 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(C)cc1[O-] ZINC000366677127 1021969160 /nfs/dbraw/zinc/96/91/60/1021969160.db2.gz OVQDZPPWJAADPG-ZIFCJYIRSA-N 0 3 344.499 3.923 20 10 EHCDHN COc1cc(C)cc(CNCc2ccc(OC(C)(C)C)nc2)c1O ZINC000894424521 1022268068 /nfs/dbraw/zinc/26/80/68/1022268068.db2.gz WCYKPOSXWVMYDG-UHFFFAOYSA-N 0 3 330.428 3.571 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1[O-] ZINC000896952310 1026150223 /nfs/dbraw/zinc/15/02/23/1026150223.db2.gz WMJSWXRMIPDFBV-CYBMUJFWSA-N 0 3 327.877 3.962 20 10 EHCDHN Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c([O-])c1 ZINC000897264818 1026608352 /nfs/dbraw/zinc/60/83/52/1026608352.db2.gz MFLPQMCLBAXWRT-IBGZPJMESA-N 0 3 339.435 3.551 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1cc(F)ccc1[O-] ZINC000273359383 1027393452 /nfs/dbraw/zinc/39/34/52/1027393452.db2.gz DGHDLYVSRFTIFT-RFAUZJTJSA-N 0 3 327.758 3.708 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1cc(F)ccc1[O-] ZINC000273359381 1027393577 /nfs/dbraw/zinc/39/35/77/1027393577.db2.gz DGHDLYVSRFTIFT-PSLIRLAXSA-N 0 3 327.758 3.708 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000156982572 1030162203 /nfs/dbraw/zinc/16/22/03/1030162203.db2.gz RTFZJVBXCOKQJE-HOTGVXAUSA-N 0 3 334.460 3.736 20 10 EHCDHN COc1ccccc1[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000160123192 1030544933 /nfs/dbraw/zinc/54/49/33/1030544933.db2.gz NCLAFXIFUXZHDE-INIZCTEOSA-N 0 3 343.423 3.755 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000527926263 1031419521 /nfs/dbraw/zinc/41/95/21/1031419521.db2.gz KKCGQIVREFPBKW-OLZOCXBDSA-N 0 3 342.277 3.930 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000898101826 1033348887 /nfs/dbraw/zinc/34/88/87/1033348887.db2.gz ZHSYGGPFTFYWKK-IIAWOOMASA-N 0 3 334.460 3.736 20 10 EHCDHN COc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1Cn1cccn1 ZINC000898317596 1033452588 /nfs/dbraw/zinc/45/25/88/1033452588.db2.gz JRPOHHXSVSEXFF-NRFANRHFSA-N 0 3 348.450 3.576 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000174371919 1033910586 /nfs/dbraw/zinc/91/05/86/1033910586.db2.gz BYSLZLUGTCSGQJ-ZDUSSCGKSA-N 0 3 348.393 3.910 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1[O-] ZINC000761215252 1034579168 /nfs/dbraw/zinc/57/91/68/1034579168.db2.gz HYCKNXIOBPZDFM-KYOSRNDESA-N 0 3 345.917 3.523 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000180275058 1038113360 /nfs/dbraw/zinc/11/33/60/1038113360.db2.gz NSLMDRPPXAJWDW-IEBWSBKVSA-N 0 3 333.378 3.759 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000180275058 1038113368 /nfs/dbraw/zinc/11/33/68/1038113368.db2.gz NSLMDRPPXAJWDW-IEBWSBKVSA-N 0 3 333.378 3.759 20 10 EHCDHN COc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000378397548 1038580254 /nfs/dbraw/zinc/58/02/54/1038580254.db2.gz BHYRWGVJSUVTAM-KDOFPFPSSA-N 0 3 326.440 3.936 20 10 EHCDHN C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854537 1038689509 /nfs/dbraw/zinc/68/95/09/1038689509.db2.gz MDVNIRIVFTZXAP-QJPTWQEYSA-N 0 3 329.271 3.976 20 10 EHCDHN C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854537 1038689512 /nfs/dbraw/zinc/68/95/12/1038689512.db2.gz MDVNIRIVFTZXAP-QJPTWQEYSA-N 0 3 329.271 3.976 20 10 EHCDHN CC(C)c1cnc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898450103 1039047758 /nfs/dbraw/zinc/04/77/58/1039047758.db2.gz NJPJTKLVHFQAPU-QGZVFWFLSA-N 0 3 346.544 3.725 20 10 EHCDHN C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000905741911 1039078067 /nfs/dbraw/zinc/07/80/67/1039078067.db2.gz OYNPZBCVKXCAMJ-LXGCGDOSSA-N 0 3 339.435 3.586 20 10 EHCDHN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000905741911 1039078086 /nfs/dbraw/zinc/07/80/86/1039078086.db2.gz OYNPZBCVKXCAMJ-LXGCGDOSSA-N 0 3 339.435 3.586 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000184885391 1126707122 /nfs/dbraw/zinc/70/71/22/1126707122.db2.gz CQSBNPDBXHMPGT-OLZOCXBDSA-N 0 3 326.375 3.524 20 10 EHCDHN Cc1ccc(O)c([C@@H](C)NCc2cccnc2OCC(F)(F)F)c1 ZINC000184984651 1126728850 /nfs/dbraw/zinc/72/88/50/1126728850.db2.gz BWDAOPHAQCYSJT-GFCCVEGCSA-N 0 3 340.345 3.888 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)c([O-])c1 ZINC000185174315 1126803200 /nfs/dbraw/zinc/80/32/00/1126803200.db2.gz BTXFTMVPYUGKJT-CABCVRRESA-N 0 3 330.497 3.860 20 10 EHCDHN CN(C)c1ccccc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072629250 1126813129 /nfs/dbraw/zinc/81/31/29/1126813129.db2.gz PBXCDYBQQVBPIH-LJQANCHMSA-N 0 3 340.467 3.639 20 10 EHCDHN CN(C)c1ccccc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072629250 1126813131 /nfs/dbraw/zinc/81/31/31/1126813131.db2.gz PBXCDYBQQVBPIH-LJQANCHMSA-N 0 3 340.467 3.639 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c([O-])c1 ZINC000185577036 1126948109 /nfs/dbraw/zinc/94/81/09/1126948109.db2.gz OFZLAOUSOIATKB-HNNXBMFYSA-N 0 3 339.414 3.919 20 10 EHCDHN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000765290332 1127592566 /nfs/dbraw/zinc/59/25/66/1127592566.db2.gz IWSZWTDTFUXADP-XJKSGUPXSA-N 0 3 330.394 3.641 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000186184148 1128067530 /nfs/dbraw/zinc/06/75/30/1128067530.db2.gz URQARSQYXOFNFH-STQMWFEESA-N 0 3 326.375 3.524 20 10 EHCDHN Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000186291093 1128377491 /nfs/dbraw/zinc/37/74/91/1128377491.db2.gz PPXYSGNTJRXVCO-FQEVSTJZSA-N 0 3 336.435 3.754 20 10 EHCDHN Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000186291093 1128377496 /nfs/dbraw/zinc/37/74/96/1128377496.db2.gz PPXYSGNTJRXVCO-FQEVSTJZSA-N 0 3 336.435 3.754 20 10 EHCDHN COc1ccccc1[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])OC(C)C ZINC000186466637 1128751942 /nfs/dbraw/zinc/75/19/42/1128751942.db2.gz ILWDNHOXIFVWAN-LJQANCHMSA-N 0 3 333.403 3.796 20 10 EHCDHN Fc1cccc(C2(NCc3ccc4c(c3)CCCO4)CCOCC2)c1 ZINC000921800234 1128773314 /nfs/dbraw/zinc/77/33/14/1128773314.db2.gz UUKIMIVXTHPRLO-UHFFFAOYSA-N 0 3 341.426 3.946 20 10 EHCDHN COCCCOc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921923657 1128919323 /nfs/dbraw/zinc/91/93/23/1128919323.db2.gz ZDZSXPNJSHATRB-UHFFFAOYSA-N 0 3 341.451 3.717 20 10 EHCDHN COc1ccc(O)c(CN2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000179785496 1123858784 /nfs/dbraw/zinc/85/87/84/1123858784.db2.gz BGGDRSHNOQYAON-UHFFFAOYSA-N 0 3 349.377 3.722 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179891787 1123882417 /nfs/dbraw/zinc/88/24/17/1123882417.db2.gz VPMDXLCSCMVNMG-BBRMVZONSA-N 0 3 344.842 3.892 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000180566139 1124032469 /nfs/dbraw/zinc/03/24/69/1124032469.db2.gz XKLUSGQBZTTZGQ-UHFFFAOYSA-N 0 3 343.398 3.862 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@H]1Cc3cccc(Cl)c3C1)CCC2 ZINC001168739807 1129777186 /nfs/dbraw/zinc/77/71/86/1129777186.db2.gz QLRDBOLKDXMFOA-HNNXBMFYSA-N 0 3 329.827 3.667 20 10 EHCDHN C[C@H](NCc1cncc(Br)c1)c1ccc(N(C)C)cc1 ZINC000703019361 1130268436 /nfs/dbraw/zinc/26/84/36/1130268436.db2.gz FMOYWOCOJUUFNH-LBPRGKRZSA-N 0 3 334.261 3.761 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cc(C)ccc1C ZINC000727830758 1130597207 /nfs/dbraw/zinc/59/72/07/1130597207.db2.gz MASFWCHTGNNYFK-LJQANCHMSA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cc(C)ccc1C ZINC000727830758 1130597213 /nfs/dbraw/zinc/59/72/13/1130597213.db2.gz MASFWCHTGNNYFK-LJQANCHMSA-N 0 3 343.467 3.661 20 10 EHCDHN C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731870182 1130856245 /nfs/dbraw/zinc/85/62/45/1130856245.db2.gz SPSJXUWAXRHTOW-CQSZACIVSA-N 0 3 344.480 3.758 20 10 EHCDHN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731870182 1130856254 /nfs/dbraw/zinc/85/62/54/1130856254.db2.gz SPSJXUWAXRHTOW-CQSZACIVSA-N 0 3 344.480 3.758 20 10 EHCDHN CCN(C)c1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000741754546 1131644329 /nfs/dbraw/zinc/64/43/29/1131644329.db2.gz RYOHQIIIVWGPLB-UHFFFAOYSA-N 0 3 347.503 3.632 20 10 EHCDHN Cc1ccoc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742385040 1131713817 /nfs/dbraw/zinc/71/38/17/1131713817.db2.gz QRHVKPXYASZFRP-AWEZNQCLSA-N 0 3 336.382 3.948 20 10 EHCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])Oc1cccc(Br)c1 ZINC000742386460 1131714188 /nfs/dbraw/zinc/71/41/88/1131714188.db2.gz FZTIPHRCTRMKFQ-LBPRGKRZSA-N 0 3 336.229 3.712 20 10 EHCDHN Cc1cc(O)c(CNCC(=O)Nc2cccc3ccccc32)cc1C ZINC000742371050 1131716433 /nfs/dbraw/zinc/71/64/33/1131716433.db2.gz XBWQGCRBNGJURS-UHFFFAOYSA-N 0 3 334.419 3.891 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000743870489 1131995014 /nfs/dbraw/zinc/99/50/14/1131995014.db2.gz UCUXFBDLUNACCZ-INIZCTEOSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000743870489 1131995024 /nfs/dbraw/zinc/99/50/24/1131995024.db2.gz UCUXFBDLUNACCZ-INIZCTEOSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000743870533 1131995826 /nfs/dbraw/zinc/99/58/26/1131995826.db2.gz WMGCTKVVTKUAFP-IXDOHACOSA-N 0 3 332.488 3.782 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000743870533 1131995831 /nfs/dbraw/zinc/99/58/31/1131995831.db2.gz WMGCTKVVTKUAFP-IXDOHACOSA-N 0 3 332.488 3.782 20 10 EHCDHN CCN(C)c1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001175593242 1132706035 /nfs/dbraw/zinc/70/60/35/1132706035.db2.gz OTGXTAPSRIECOA-KRWDZBQOSA-N 0 3 332.488 3.696 20 10 EHCDHN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000768173404 1133105364 /nfs/dbraw/zinc/10/53/64/1133105364.db2.gz VHZUGZOHGDOTEM-UHFFFAOYSA-N 0 3 328.431 3.603 20 10 EHCDHN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000768442565 1133139100 /nfs/dbraw/zinc/13/91/00/1133139100.db2.gz LVDYWQPOQVTJLV-ICSRJNTNSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000768442565 1133139103 /nfs/dbraw/zinc/13/91/03/1133139103.db2.gz LVDYWQPOQVTJLV-ICSRJNTNSA-N 0 3 339.435 3.772 20 10 EHCDHN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519742 1133148883 /nfs/dbraw/zinc/14/88/83/1133148883.db2.gz WKLRQAKABCKZGA-SJLPKXTDSA-N 0 3 341.451 3.564 20 10 EHCDHN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519742 1133148885 /nfs/dbraw/zinc/14/88/85/1133148885.db2.gz WKLRQAKABCKZGA-SJLPKXTDSA-N 0 3 341.451 3.564 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC(C)(C)C2)c1[O-] ZINC000768661548 1133167890 /nfs/dbraw/zinc/16/78/90/1133167890.db2.gz GAUGBZKRMCNBSY-LBPRGKRZSA-N 0 3 328.250 3.832 20 10 EHCDHN CCOc1ccc(C[N@H+](C)CCCc2ccc(OC)cc2)c([O-])c1 ZINC000768920068 1133204406 /nfs/dbraw/zinc/20/44/06/1133204406.db2.gz GCWRTVBAOYTKFG-UHFFFAOYSA-N 0 3 329.440 3.864 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)CCCc2ccc(OC)cc2)c([O-])c1 ZINC000768920068 1133204411 /nfs/dbraw/zinc/20/44/11/1133204411.db2.gz GCWRTVBAOYTKFG-UHFFFAOYSA-N 0 3 329.440 3.864 20 10 EHCDHN COCCCC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000769105392 1133227705 /nfs/dbraw/zinc/22/77/05/1133227705.db2.gz BXGFVKHFFAQJCQ-UHFFFAOYSA-N 0 3 329.440 3.830 20 10 EHCDHN COCCCC[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000769105392 1133227709 /nfs/dbraw/zinc/22/77/09/1133227709.db2.gz BXGFVKHFFAQJCQ-UHFFFAOYSA-N 0 3 329.440 3.830 20 10 EHCDHN CCN(Cc1ccoc1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000769141183 1133231091 /nfs/dbraw/zinc/23/10/91/1133231091.db2.gz JHXUAKHKNDUSML-UHFFFAOYSA-N 0 3 328.456 3.917 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c([O-])c1 ZINC000769191632 1133233562 /nfs/dbraw/zinc/23/35/62/1133233562.db2.gz ADNZGRGAOVXAQI-UHFFFAOYSA-N 0 3 327.424 3.909 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c([O-])c1 ZINC000769191632 1133233567 /nfs/dbraw/zinc/23/35/67/1133233567.db2.gz ADNZGRGAOVXAQI-UHFFFAOYSA-N 0 3 327.424 3.909 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000769163633 1133237110 /nfs/dbraw/zinc/23/71/10/1133237110.db2.gz CUPQGMMKZFZTOG-UHFFFAOYSA-N 0 3 326.440 3.502 20 10 EHCDHN CCOc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000769425286 1133282804 /nfs/dbraw/zinc/28/28/04/1133282804.db2.gz PYHRGPMXYQEKEU-FQEVSTJZSA-N 0 3 341.451 3.663 20 10 EHCDHN CCOc1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000769425286 1133282806 /nfs/dbraw/zinc/28/28/06/1133282806.db2.gz PYHRGPMXYQEKEU-FQEVSTJZSA-N 0 3 341.451 3.663 20 10 EHCDHN CCOCC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000769767946 1133339763 /nfs/dbraw/zinc/33/97/63/1133339763.db2.gz DDCOQHVAPKQWSE-XLIONFOSSA-N 0 3 343.467 3.743 20 10 EHCDHN CCOCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000769767946 1133339771 /nfs/dbraw/zinc/33/97/71/1133339771.db2.gz DDCOQHVAPKQWSE-XLIONFOSSA-N 0 3 343.467 3.743 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000770144259 1133392924 /nfs/dbraw/zinc/39/29/24/1133392924.db2.gz VFEOUVHNEDWDJE-UHFFFAOYSA-N 0 3 343.858 3.734 20 10 EHCDHN CCOc1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c([O-])c1 ZINC000770303644 1133407914 /nfs/dbraw/zinc/40/79/14/1133407914.db2.gz KLFLGAWKKJOGLS-IBGZPJMESA-N 0 3 341.451 3.625 20 10 EHCDHN CCOc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c([O-])c1 ZINC000770303644 1133407919 /nfs/dbraw/zinc/40/79/19/1133407919.db2.gz KLFLGAWKKJOGLS-IBGZPJMESA-N 0 3 341.451 3.625 20 10 EHCDHN CCC[N@H+](CCN1CCCCC1)Cc1c([O-])ccc(Cl)c1F ZINC001181686133 1133508111 /nfs/dbraw/zinc/50/81/11/1133508111.db2.gz GAMNSRDMNASSHY-UHFFFAOYSA-N 0 3 328.859 3.883 20 10 EHCDHN CCC[N@@H+](CCN1CCCCC1)Cc1c([O-])ccc(Cl)c1F ZINC001181686133 1133508115 /nfs/dbraw/zinc/50/81/15/1133508115.db2.gz GAMNSRDMNASSHY-UHFFFAOYSA-N 0 3 328.859 3.883 20 10 EHCDHN CCOCC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000771635111 1133582775 /nfs/dbraw/zinc/58/27/75/1133582775.db2.gz FXOOCUVVKFPWQR-UHFFFAOYSA-N 0 3 338.245 3.776 20 10 EHCDHN CCOCC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000771635111 1133582777 /nfs/dbraw/zinc/58/27/77/1133582777.db2.gz FXOOCUVVKFPWQR-UHFFFAOYSA-N 0 3 338.245 3.776 20 10 EHCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000786583287 1133870662 /nfs/dbraw/zinc/87/06/62/1133870662.db2.gz QLLUQMBRTHSSKA-YSVLISHTSA-N 0 3 329.415 3.581 20 10 EHCDHN COc1ccc(N2CCN(CCCCOC(C)(C)C)CC2)cc1F ZINC000789325678 1134256958 /nfs/dbraw/zinc/25/69/58/1134256958.db2.gz CORVXQSMZICBPS-UHFFFAOYSA-N 0 3 338.467 3.552 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC000791003167 1134491709 /nfs/dbraw/zinc/49/17/09/1134491709.db2.gz LCPRFAGHSQUFTN-KKSFZXQISA-N 0 3 343.467 3.510 20 10 EHCDHN COc1ccc(C[NH2+]CC(C)(C)CN(C)Cc2ccccc2)c([O-])c1 ZINC000793385598 1134920198 /nfs/dbraw/zinc/92/01/98/1134920198.db2.gz CMVXMWBXQFPXKP-UHFFFAOYSA-N 0 3 342.483 3.649 20 10 EHCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)c([O-])c1 ZINC000793387535 1134921169 /nfs/dbraw/zinc/92/11/69/1134921169.db2.gz GBKGCXSBSMNYQU-HNNXBMFYSA-N 0 3 342.439 3.525 20 10 EHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)n(C)n1 ZINC000793544284 1134952663 /nfs/dbraw/zinc/95/26/63/1134952663.db2.gz XSNINQAKYJIROU-QGZVFWFLSA-N 0 3 326.488 3.816 20 10 EHCDHN CN1CCCc2cc(CN[C@H]3CCc4nc(Cl)ccc43)ccc21 ZINC000806135797 1135388919 /nfs/dbraw/zinc/38/89/19/1135388919.db2.gz OPIBXJZECDUVHD-INIZCTEOSA-N 0 3 327.859 3.895 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000775649035 1135405304 /nfs/dbraw/zinc/40/53/04/1135405304.db2.gz IRUBMUVFXCYIAG-UHFFFAOYSA-N 0 3 344.842 3.618 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000775649035 1135405306 /nfs/dbraw/zinc/40/53/06/1135405306.db2.gz IRUBMUVFXCYIAG-UHFFFAOYSA-N 0 3 344.842 3.618 20 10 EHCDHN Oc1cc2c(cc1CN1CCC3(C1)Oc1ccccc1O3)CCCC2 ZINC000808238411 1135640188 /nfs/dbraw/zinc/64/01/88/1135640188.db2.gz DITAHEQJJPHABG-UHFFFAOYSA-N 0 3 337.419 3.644 20 10 EHCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808681208 1135710950 /nfs/dbraw/zinc/71/09/50/1135710950.db2.gz WVQSKBSWLUNKEG-GDBMZVCRSA-N 0 3 349.858 3.753 20 10 EHCDHN Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808716212 1135719805 /nfs/dbraw/zinc/71/98/05/1135719805.db2.gz UBLPHMMZYGJUQF-RHSMWYFYSA-N 0 3 333.859 3.917 20 10 EHCDHN COC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c(C)o1 ZINC000747533022 1135748944 /nfs/dbraw/zinc/74/89/44/1135748944.db2.gz GSWMGKMDTOVUED-UHFFFAOYSA-N 0 3 344.455 3.851 20 10 EHCDHN COc1cc(O)c(CN2CCC[C@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000776012895 1135917763 /nfs/dbraw/zinc/91/77/63/1135917763.db2.gz KLYHYEGZIJUGGP-PWSUYJOCSA-N 0 3 333.350 3.572 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216385 1135938780 /nfs/dbraw/zinc/93/87/80/1135938780.db2.gz IRBKMTQYKSUTFS-WFASDCNBSA-N 0 3 330.394 3.794 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253840 1135948942 /nfs/dbraw/zinc/94/89/42/1135948942.db2.gz DWNRRAZSBIASEQ-YPMHNXCESA-N 0 3 339.361 3.732 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253840 1135948945 /nfs/dbraw/zinc/94/89/45/1135948945.db2.gz DWNRRAZSBIASEQ-YPMHNXCESA-N 0 3 339.361 3.732 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000811780746 1136135012 /nfs/dbraw/zinc/13/50/12/1136135012.db2.gz WLRVBYALYHPSLE-WMZOPIPTSA-N 0 3 333.472 3.785 20 10 EHCDHN COc1cc(CN[C@@](C)(CO)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850138809 1136214097 /nfs/dbraw/zinc/21/40/97/1136214097.db2.gz JQPWNLQFILUOAG-NRFANRHFSA-N 0 3 343.467 3.696 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c1[O-] ZINC000850481339 1136266990 /nfs/dbraw/zinc/26/69/90/1136266990.db2.gz GLWYCRPIYQXPPJ-ZYHUDNBSSA-N 0 3 328.250 3.681 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850487541 1136269069 /nfs/dbraw/zinc/26/90/69/1136269069.db2.gz HZFDJOIEISBMPP-DNVCBOLYSA-N 0 3 326.440 3.720 20 10 EHCDHN COC(=O)c1nc(CN[C@H](C)c2c(C)cc(C)cc2O)ccc1Cl ZINC000850515826 1136275970 /nfs/dbraw/zinc/27/59/70/1136275970.db2.gz PCRWJSCAAKFQNH-GFCCVEGCSA-N 0 3 348.830 3.695 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c1[O-] ZINC000850545886 1136283111 /nfs/dbraw/zinc/28/31/11/1136283111.db2.gz UJFAUBGIBDXXNY-WCQYABFASA-N 0 3 342.277 3.522 20 10 EHCDHN CC[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000813881596 1136371757 /nfs/dbraw/zinc/37/17/57/1136371757.db2.gz QOLOCTUDZABTNU-FQEVSTJZSA-N 0 3 349.478 3.845 20 10 EHCDHN COc1cc(Br)cc(CN2CCC(C3CC3)CC2)c1O ZINC000814172538 1136410510 /nfs/dbraw/zinc/41/05/10/1136410510.db2.gz REXAGARNDHXRJE-UHFFFAOYSA-N 0 3 340.261 3.785 20 10 EHCDHN CC1(C)OC[C@@H](CC[N@H+](Cc2ccco2)Cc2ccccc2[O-])O1 ZINC000851841191 1136412888 /nfs/dbraw/zinc/41/28/88/1136412888.db2.gz NUQVOWRSIBINDK-QGZVFWFLSA-N 0 3 331.412 3.529 20 10 EHCDHN CC1(C)OC[C@@H](CC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])O1 ZINC000851841191 1136412890 /nfs/dbraw/zinc/41/28/90/1136412890.db2.gz NUQVOWRSIBINDK-QGZVFWFLSA-N 0 3 331.412 3.529 20 10 EHCDHN Cc1cc(Br)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000814170572 1136415308 /nfs/dbraw/zinc/41/53/08/1136415308.db2.gz ZBJQQJJHTWCGIW-OCCSQVGLSA-N 0 3 346.215 3.940 20 10 EHCDHN Cc1cc(CN[C@H](Cn2cccn2)c2ccccc2)ccc1N(C)C ZINC000815071682 1136546707 /nfs/dbraw/zinc/54/67/07/1136546707.db2.gz QGYWQOVVKOCSBY-HXUWFJFHSA-N 0 3 334.467 3.789 20 10 EHCDHN CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882847 1136559539 /nfs/dbraw/zinc/55/95/39/1136559539.db2.gz VUMKQNFODWEETC-UXPWSPDFSA-N 0 3 345.531 3.688 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c([O-])c1 ZINC000815627663 1136621256 /nfs/dbraw/zinc/62/12/56/1136621256.db2.gz GGOBCYNQBDPFAO-DJPFJPOOSA-N 0 3 325.452 3.826 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])[C@@H]1n1cccn1 ZINC000815661083 1136623241 /nfs/dbraw/zinc/62/32/41/1136623241.db2.gz SCZMCVDYAMQTRG-ZFVVBOAOSA-N 0 3 349.862 3.620 20 10 EHCDHN C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816511683 1136729562 /nfs/dbraw/zinc/72/95/62/1136729562.db2.gz HMLHDVOXZYLBKM-QGZVFWFLSA-N 0 3 347.462 3.819 20 10 EHCDHN COc1ccc(N2CCC(NCc3ccncc3Cl)CC2)cc1 ZINC000858123217 1136941990 /nfs/dbraw/zinc/94/19/90/1136941990.db2.gz QJHGNRMRYINYML-UHFFFAOYSA-N 0 3 331.847 3.502 20 10 EHCDHN Cc1ccc([C@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1C ZINC000858452911 1136969141 /nfs/dbraw/zinc/96/91/41/1136969141.db2.gz PJLDYGNXKQUTRJ-NSHDSACASA-N 0 3 327.350 3.612 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC=CC2)c1[O-] ZINC000858463243 1136970277 /nfs/dbraw/zinc/97/02/77/1136970277.db2.gz LQQOWUFGHFIHMI-SNVBAGLBSA-N 0 3 326.234 3.780 20 10 EHCDHN C[C@H](NCc1ccc[nH]c1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000858563718 1136978885 /nfs/dbraw/zinc/97/88/85/1136978885.db2.gz YHTKNWQUVXYZAQ-AWEZNQCLSA-N 0 3 329.419 3.767 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]CCCC(C)(F)F)c1[O-] ZINC000824477170 1137139181 /nfs/dbraw/zinc/13/91/81/1137139181.db2.gz HUJYCXZCSVCRKW-UHFFFAOYSA-N 0 3 338.192 3.688 20 10 EHCDHN CC(=O)N(C)c1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000862485008 1137146734 /nfs/dbraw/zinc/14/67/34/1137146734.db2.gz FUXHXTBPQJQNMQ-UHFFFAOYSA-N 0 3 332.831 3.627 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000824672956 1137147630 /nfs/dbraw/zinc/14/76/30/1137147630.db2.gz LCNVCJJXFIGQTR-OAHLLOKOSA-N 0 3 325.330 3.624 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000824799024 1137152840 /nfs/dbraw/zinc/15/28/40/1137152840.db2.gz JHQBRXCQYIROOH-DOMZBBRYSA-N 0 3 327.852 3.595 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794805364 1137253510 /nfs/dbraw/zinc/25/35/10/1137253510.db2.gz GMJKETUUTFKKNK-RTBURBONSA-N 0 3 338.451 3.937 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794813727 1137262596 /nfs/dbraw/zinc/26/25/96/1137262596.db2.gz IWWOGRKBQJFHIZ-BEFAXECRSA-N 0 3 349.421 3.871 20 10 EHCDHN C[C@H](NCc1ccc(C(F)F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000865431896 1137283124 /nfs/dbraw/zinc/28/31/24/1137283124.db2.gz MRHGCDYILRWNBO-AWEZNQCLSA-N 0 3 347.409 3.707 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000865657336 1137302400 /nfs/dbraw/zinc/30/24/00/1137302400.db2.gz IHXKVXYXXVZIGL-IAOVAPTHSA-N 0 3 330.225 3.583 20 10 EHCDHN CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000846107662 1137333001 /nfs/dbraw/zinc/33/30/01/1137333001.db2.gz XLKFIHLOBGRCBM-UHFFFAOYSA-N 0 3 334.460 3.519 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846116452 1137333770 /nfs/dbraw/zinc/33/37/70/1137333770.db2.gz HUUXNTJYQBQBHZ-ZDUSSCGKSA-N 0 3 332.188 3.694 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846116452 1137333772 /nfs/dbraw/zinc/33/37/72/1137333772.db2.gz HUUXNTJYQBQBHZ-ZDUSSCGKSA-N 0 3 332.188 3.694 20 10 EHCDHN Cc1cc(Br)cc(CN2CC[C@]3(CC3(F)F)C2)c1O ZINC000846116452 1137333774 /nfs/dbraw/zinc/33/37/74/1137333774.db2.gz HUUXNTJYQBQBHZ-ZDUSSCGKSA-N 0 3 332.188 3.694 20 10 EHCDHN COc1ccc(OC)c([C@@H](C)N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846138527 1137338455 /nfs/dbraw/zinc/33/84/55/1137338455.db2.gz VXESTNDCKQOJSR-CHWSQXEVSA-N 0 3 331.412 3.830 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000715094659 1137475612 /nfs/dbraw/zinc/47/56/12/1137475612.db2.gz XBQJETROKCQUDN-RBSFLKMASA-N 0 3 334.460 3.655 20 10 EHCDHN COCC1(C)CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000773272583 1137483608 /nfs/dbraw/zinc/48/36/08/1137483608.db2.gz SDIVHSATCCWHPC-UHFFFAOYSA-N 0 3 329.440 3.803 20 10 EHCDHN Cc1cc(C)c(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001171916949 1137518404 /nfs/dbraw/zinc/51/84/04/1137518404.db2.gz HIZFWMXEUDMNOC-UHFFFAOYSA-N 0 3 333.472 3.999 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000877066097 1137669240 /nfs/dbraw/zinc/66/92/40/1137669240.db2.gz COJILQCFCUXQAB-UHFFFAOYSA-N 0 3 339.483 3.525 20 10 EHCDHN Cc1ccc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c([O-])c1 ZINC000877575885 1137681673 /nfs/dbraw/zinc/68/16/73/1137681673.db2.gz BTOXJHQUQNFLMV-UHFFFAOYSA-N 0 3 330.394 3.549 20 10 EHCDHN Cc1ccc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)c([O-])c1 ZINC000877575885 1137681674 /nfs/dbraw/zinc/68/16/74/1137681674.db2.gz BTOXJHQUQNFLMV-UHFFFAOYSA-N 0 3 330.394 3.549 20 10 EHCDHN C[C@@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1[O-] ZINC000877755839 1137688135 /nfs/dbraw/zinc/68/81/35/1137688135.db2.gz OLSYMDIZAOJEMG-UMRPUCSYSA-N 0 3 336.435 3.876 20 10 EHCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])c(SC)cc1OC ZINC000877756349 1137688233 /nfs/dbraw/zinc/68/82/33/1137688233.db2.gz IETXPGHDZDHIKE-GFCCVEGCSA-N 0 3 333.453 3.982 20 10 EHCDHN C[C@@H](NCc1cc2c(cc1OC(F)F)OCO2)c1ccccc1O ZINC000877756308 1137688251 /nfs/dbraw/zinc/68/82/51/1137688251.db2.gz GEODCRRCJBICBP-SNVBAGLBSA-N 0 3 337.322 3.573 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccccc1[O-] ZINC000877756308 1137688252 /nfs/dbraw/zinc/68/82/52/1137688252.db2.gz GEODCRRCJBICBP-SNVBAGLBSA-N 0 3 337.322 3.573 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879649201 1137753576 /nfs/dbraw/zinc/75/35/76/1137753576.db2.gz NRVDERJPKFMZDH-CKEIUWERSA-N 0 3 349.858 3.835 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000879650016 1137753807 /nfs/dbraw/zinc/75/38/07/1137753807.db2.gz XVSLESVDPPYFQU-OTQYAVNOSA-N 0 3 342.483 3.516 20 10 EHCDHN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651685 1137753864 /nfs/dbraw/zinc/75/38/64/1137753864.db2.gz HEBMMSVLQLYBGH-PMPSAXMXSA-N 0 3 326.440 3.617 20 10 EHCDHN CCOc1ccc(O)c(CNCc2cc(C3CC3)ccc2OC)c1 ZINC000883258510 1137851045 /nfs/dbraw/zinc/85/10/45/1137851045.db2.gz FCEJJKRYDSQIQP-UHFFFAOYSA-N 0 3 327.424 3.967 20 10 EHCDHN COc1cc(C)c(CN(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000215913223 1137964630 /nfs/dbraw/zinc/96/46/30/1137964630.db2.gz JXZNCXPCDNDUKY-UHFFFAOYSA-N 0 3 328.456 3.710 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(-n3ccnc3C)nc2)cc1 ZINC000126332931 1138328876 /nfs/dbraw/zinc/32/88/76/1138328876.db2.gz LJUZELAGBYZIFD-INIZCTEOSA-N 0 3 349.482 3.883 20 10 EHCDHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000301751200 1138635911 /nfs/dbraw/zinc/63/59/11/1138635911.db2.gz ZLIAWKRHYWAYEE-CABCVRRESA-N 0 3 336.476 3.982 20 10 EHCDHN C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1[O-] ZINC000183417644 1140036973 /nfs/dbraw/zinc/03/69/73/1140036973.db2.gz HQXCUFOJWZBJJA-NSHDSACASA-N 0 3 326.318 3.579 20 10 EHCDHN COc1cc2c(cc1CN[C@@H](C)c1cc(C)ccc1O)O[C@H](C)C2 ZINC000184975011 1140129180 /nfs/dbraw/zinc/12/91/80/1140129180.db2.gz VNQDSAGESOJYFQ-KGLIPLIRSA-N 0 3 327.424 3.883 20 10 EHCDHN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185051504 1140133770 /nfs/dbraw/zinc/13/37/70/1140133770.db2.gz FKJOUTKGIXWANL-KBPBESRZSA-N 0 3 344.430 3.910 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000185090821 1140135631 /nfs/dbraw/zinc/13/56/31/1140135631.db2.gz MUNXAEXVTJPREQ-CQSZACIVSA-N 0 3 342.414 3.505 20 10 EHCDHN COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c(OC)c1OC ZINC000185327429 1140145243 /nfs/dbraw/zinc/14/52/43/1140145243.db2.gz OPLRQCMYWUGKFQ-AWEZNQCLSA-N 0 3 345.439 3.620 20 10 EHCDHN CC[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000188506880 1140299028 /nfs/dbraw/zinc/29/90/28/1140299028.db2.gz JFRDDRTZMXKFPJ-OAHLLOKOSA-N 0 3 330.394 3.707 20 10 EHCDHN COc1cc(Cl)cc(CN[C@H]2CCOc3c(F)cccc32)c1O ZINC000191196989 1140444457 /nfs/dbraw/zinc/44/44/57/1140444457.db2.gz RCTQSDGZLYEPLW-AWEZNQCLSA-N 0 3 337.778 3.807 20 10 EHCDHN CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(OC)c(OC)c1 ZINC000268852407 1141009347 /nfs/dbraw/zinc/00/93/47/1141009347.db2.gz QRYWJERZHYYBKN-QGZVFWFLSA-N 0 3 327.424 3.880 20 10 EHCDHN C[C@H](OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618393 1141127891 /nfs/dbraw/zinc/12/78/91/1141127891.db2.gz HIMVCSPJNHIHHR-KBXCAEBGSA-N 0 3 349.858 3.616 20 10 EHCDHN C[C@H](OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618393 1141127895 /nfs/dbraw/zinc/12/78/95/1141127895.db2.gz HIMVCSPJNHIHHR-KBXCAEBGSA-N 0 3 349.858 3.616 20 10 EHCDHN C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183502543 1032176004 /nfs/dbraw/zinc/17/60/04/1032176004.db2.gz PJRYAKXZRZVTPQ-HUUCEWRRSA-N 0 3 334.460 3.690 20 10 EHCDHN C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[O-] ZINC000183598889 1032209009 /nfs/dbraw/zinc/20/90/09/1032209009.db2.gz TUDYPZLNJLKOKS-GFCCVEGCSA-N 0 3 343.814 3.989 20 10 EHCDHN COc1cc(C)cc(CN(C)[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000894882986 1021628482 /nfs/dbraw/zinc/62/84/82/1021628482.db2.gz HFAZUIMTQUUIPN-MRXNPFEDSA-N 0 3 335.831 3.528 20 10 EHCDHN COC[C@H](NCc1cc(C)cc(OC)c1O)c1cccc(Cl)c1 ZINC000894788418 1022916713 /nfs/dbraw/zinc/91/67/13/1022916713.db2.gz ZVYNJYBNWFKFOB-INIZCTEOSA-N 0 3 335.831 3.840 20 10 EHCDHN Cc1cc(CN[C@H]2CCCc3c2cnn3C)c(C)n1-c1ccccc1 ZINC000326586089 1023118887 /nfs/dbraw/zinc/11/88/87/1023118887.db2.gz BSEBDJMHFQFVRU-FQEVSTJZSA-N 0 3 334.467 3.995 20 10 EHCDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(OC)c(OC)c1O ZINC000891914820 1023392018 /nfs/dbraw/zinc/39/20/18/1023392018.db2.gz BVXODLPNIMHOAS-MRXNPFEDSA-N 0 3 343.423 3.755 20 10 EHCDHN CN1CCCc2cc(CN[C@@H](c3cncc(F)c3)C3CC3)ccc21 ZINC000281112317 1024668990 /nfs/dbraw/zinc/66/89/90/1024668990.db2.gz CLLWHLMSVWYCBM-HXUWFJFHSA-N 0 3 325.431 3.844 20 10 EHCDHN COc1ccc(CNCc2csc(C(F)(F)F)c2)c(O)c1OC ZINC000895654977 1024690798 /nfs/dbraw/zinc/69/07/98/1024690798.db2.gz NCELNNYAMSUEIC-UHFFFAOYSA-N 0 3 347.358 3.780 20 10 EHCDHN Cc1cccc(CNCc2cc(NC(=O)OC(C)(C)C)ccn2)c1O ZINC000895760541 1024803306 /nfs/dbraw/zinc/80/33/06/1024803306.db2.gz FVYXFAHHHIIXGE-UHFFFAOYSA-N 0 3 343.427 3.732 20 10 EHCDHN COc1cc(O)c(CN[C@@H](c2ncccc2C)C(C)(C)C)cc1OC ZINC000897994320 1033265740 /nfs/dbraw/zinc/26/57/40/1033265740.db2.gz FWSFQHPVAZTDTI-IBGZPJMESA-N 0 3 344.455 3.990 20 10 EHCDHN COc1cccc(C2(NCc3cc(Cl)cc(OC)c3O)CC2)c1 ZINC000273693042 1027564582 /nfs/dbraw/zinc/56/45/82/1027564582.db2.gz BRIQLIWQDPLHMW-UHFFFAOYSA-N 0 3 333.815 3.842 20 10 EHCDHN COc1cccc(C2([NH2+]Cc3cc(Cl)cc(OC)c3[O-])CC2)c1 ZINC000273693042 1027564601 /nfs/dbraw/zinc/56/46/01/1027564601.db2.gz BRIQLIWQDPLHMW-UHFFFAOYSA-N 0 3 333.815 3.842 20 10 EHCDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729681248 1028441172 /nfs/dbraw/zinc/44/11/72/1028441172.db2.gz LFKUYVGEYHSGRO-MRXNPFEDSA-N 0 3 335.451 3.990 20 10 EHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1NC(C)=O ZINC000160552870 1030835298 /nfs/dbraw/zinc/83/52/98/1030835298.db2.gz UNAUXCRZVCQLBE-AWEZNQCLSA-N 0 3 341.455 3.570 20 10 EHCDHN COC1CCN(c2ccc(CN(C)Cc3cccc(O)c3)cc2)CC1 ZINC000827972818 1031909825 /nfs/dbraw/zinc/90/98/25/1031909825.db2.gz CIVCOZLUINNSTM-UHFFFAOYSA-N 0 3 340.467 3.639 20 10 EHCDHN COc1cccc([C@H](C[NH2+]Cc2cc(Cl)cc(C)c2[O-])OC)c1 ZINC000529641359 1034331262 /nfs/dbraw/zinc/33/12/62/1034331262.db2.gz XSMKEDKDVOSKMO-KRWDZBQOSA-N 0 3 335.831 3.840 20 10 EHCDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000066236447 1035302716 /nfs/dbraw/zinc/30/27/16/1035302716.db2.gz WLUUEXAKJDNKJI-KRWDZBQOSA-N 0 3 340.467 3.691 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927017103 1038677469 /nfs/dbraw/zinc/67/74/69/1038677469.db2.gz VTBLMBWGXUXUCV-UKRRQHHQSA-N 0 3 339.863 3.733 20 10 EHCDHN COc1ccc(O)c(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000183372212 1038703399 /nfs/dbraw/zinc/70/33/99/1038703399.db2.gz LLGQVWDTFOWONO-UHFFFAOYSA-N 0 3 339.391 3.902 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1[O-] ZINC000183435448 1038709255 /nfs/dbraw/zinc/70/92/55/1038709255.db2.gz BIVPPLIUHFIAMK-OAHLLOKOSA-N 0 3 347.418 3.890 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cncc(F)c1 ZINC000163621113 1040221014 /nfs/dbraw/zinc/22/10/14/1040221014.db2.gz WXTLLTKUOVCIMB-CQSZACIVSA-N 0 3 331.460 3.625 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000156428154 1041198597 /nfs/dbraw/zinc/19/85/97/1041198597.db2.gz HOYMZYMHIXQAJD-BLLLJJGKSA-N 0 3 346.377 3.517 20 10 EHCDHN Cc1cccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000165197595 1042664561 /nfs/dbraw/zinc/66/45/61/1042664561.db2.gz BBMOPCSORZXAMD-INIZCTEOSA-N 0 3 328.431 3.822 20 10 EHCDHN CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccccc3[O-])cc2)n1 ZINC000183596449 1125614292 /nfs/dbraw/zinc/61/42/92/1125614292.db2.gz NRUGFSZUPJVQJK-AWEZNQCLSA-N 0 3 337.423 3.898 20 10 EHCDHN C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1[O-] ZINC000185577060 1126947674 /nfs/dbraw/zinc/94/76/74/1126947674.db2.gz RVOMKBVUWOKJAE-ZDUSSCGKSA-N 0 3 343.377 3.749 20 10 EHCDHN Cc1ccnc(N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c1 ZINC000765140311 1127579689 /nfs/dbraw/zinc/57/96/89/1127579689.db2.gz RHGWHGBXXCJVGE-UHFFFAOYSA-N 0 3 339.483 3.850 20 10 EHCDHN COc1ccc([C@@H]2C[C@H]([N@@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665237 1128744690 /nfs/dbraw/zinc/74/46/90/1128744690.db2.gz NRZPMFUCNCPERH-UTKZUKDTSA-N 0 3 339.435 3.679 20 10 EHCDHN COc1ccc([C@@H]2C[C@H]([N@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665237 1128744692 /nfs/dbraw/zinc/74/46/92/1128744692.db2.gz NRZPMFUCNCPERH-UTKZUKDTSA-N 0 3 339.435 3.679 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000762468916 1121314191 /nfs/dbraw/zinc/31/41/91/1121314191.db2.gz XUCCYGLFTPTCEY-IEBWSBKVSA-N 0 3 325.408 3.545 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000762468916 1121314198 /nfs/dbraw/zinc/31/41/98/1121314198.db2.gz XUCCYGLFTPTCEY-IEBWSBKVSA-N 0 3 325.408 3.545 20 10 EHCDHN CCN(CC)c1ccc(CN(C)C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000917020453 1122441399 /nfs/dbraw/zinc/44/13/99/1122441399.db2.gz NNZHQTULYFZRIT-LJQANCHMSA-N 0 3 348.437 3.976 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCCO2 ZINC000921487691 1123546416 /nfs/dbraw/zinc/54/64/16/1123546416.db2.gz UDMZOSLDQFUBSV-AWEZNQCLSA-N 0 3 325.408 3.634 20 10 EHCDHN COc1ccc(O)c(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000179612931 1123806988 /nfs/dbraw/zinc/80/69/88/1123806988.db2.gz QUVHZERRUNXVMJ-GOSISDBHSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)ccc1O ZINC000180062277 1123935200 /nfs/dbraw/zinc/93/52/00/1123935200.db2.gz HNQITWXLXQXHGD-UHFFFAOYSA-N 0 3 326.440 3.631 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000922329352 1129470514 /nfs/dbraw/zinc/47/05/14/1129470514.db2.gz NSKNWJYMXNNKPV-ILXRZTDVSA-N 0 3 334.460 3.736 20 10 EHCDHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(C)n1-c1ccccc1C ZINC000741718770 1131636740 /nfs/dbraw/zinc/63/67/40/1131636740.db2.gz CEIUURKZGBJUSY-GOSISDBHSA-N 0 3 339.483 3.569 20 10 EHCDHN CCN(CC)c1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1F ZINC000742253450 1131701872 /nfs/dbraw/zinc/70/18/72/1131701872.db2.gz QJOQDFOGGDVKKR-INIZCTEOSA-N 0 3 349.494 3.553 20 10 EHCDHN CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000742371216 1131716869 /nfs/dbraw/zinc/71/68/69/1131716869.db2.gz KNTYNBGHZINDFK-UHFFFAOYSA-N 0 3 345.414 3.726 20 10 EHCDHN Cc1cc(C)c(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c([O-])c1 ZINC001172904276 1131886115 /nfs/dbraw/zinc/88/61/15/1131886115.db2.gz WHBVCANWPGXYSR-QGZVFWFLSA-N 0 3 340.423 3.954 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000743869844 1131995744 /nfs/dbraw/zinc/99/57/44/1131995744.db2.gz CEKKJTILARXYMO-GOSISDBHSA-N 0 3 342.414 3.549 20 10 EHCDHN CCOC(=O)[C@@H]1CC12CCC([NH2+]Cc1c(C)cc(C)cc1[O-])CC2 ZINC001173604079 1132103112 /nfs/dbraw/zinc/10/31/12/1132103112.db2.gz KRHAEVLVJYTZFD-CMVHYPBASA-N 0 3 331.456 3.611 20 10 EHCDHN CC[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000766435879 1132543378 /nfs/dbraw/zinc/54/33/78/1132543378.db2.gz BLYJJKKWOABUJA-LJQANCHMSA-N 0 3 331.504 3.584 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1COc2ccccc2O1 ZINC001169755691 1132847994 /nfs/dbraw/zinc/84/79/94/1132847994.db2.gz YTBIZESJXTXAPE-KRWDZBQOSA-N 0 3 327.424 3.834 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1COc2ccccc2O1 ZINC001169755691 1132848000 /nfs/dbraw/zinc/84/80/00/1132848000.db2.gz YTBIZESJXTXAPE-KRWDZBQOSA-N 0 3 327.424 3.834 20 10 EHCDHN CN(Cc1ccc(Cl)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768170681 1133105034 /nfs/dbraw/zinc/10/50/34/1133105034.db2.gz TYUZQROAYYTYJP-UHFFFAOYSA-N 0 3 348.849 3.948 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446485 1133140692 /nfs/dbraw/zinc/14/06/92/1133140692.db2.gz KQSPWIIGCJPCSL-BXTJHSDWSA-N 0 3 339.435 3.504 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446485 1133140694 /nfs/dbraw/zinc/14/06/94/1133140694.db2.gz KQSPWIIGCJPCSL-BXTJHSDWSA-N 0 3 339.435 3.504 20 10 EHCDHN Cc1ccccc1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768453473 1133140961 /nfs/dbraw/zinc/14/09/61/1133140961.db2.gz YICSHALFUHRCHE-FQEVSTJZSA-N 0 3 339.435 3.506 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1[O-] ZINC000768524212 1133149581 /nfs/dbraw/zinc/14/95/81/1133149581.db2.gz METAHEFARHTPMU-LSDHHAIUSA-N 0 3 327.852 3.736 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCc1ccc(F)c(F)c1)C[C@H]1CCCO1 ZINC000768541969 1133153694 /nfs/dbraw/zinc/15/36/94/1133153694.db2.gz NRLXEEZMJVZNRZ-QGZVFWFLSA-N 0 3 347.405 3.894 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccc(F)c(F)c1)C[C@H]1CCCO1 ZINC000768541969 1133153697 /nfs/dbraw/zinc/15/36/97/1133153697.db2.gz NRLXEEZMJVZNRZ-QGZVFWFLSA-N 0 3 347.405 3.894 20 10 EHCDHN CCOc1ccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c([O-])c1 ZINC000769020533 1133214816 /nfs/dbraw/zinc/21/48/16/1133214816.db2.gz DPJDPZMSJDDLQM-HXUWFJFHSA-N 0 3 327.424 3.537 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c([O-])c1 ZINC000769020533 1133214820 /nfs/dbraw/zinc/21/48/20/1133214820.db2.gz DPJDPZMSJDDLQM-HXUWFJFHSA-N 0 3 327.424 3.537 20 10 EHCDHN COc1ccc(CNCc2ccc3occc3c2)cc1Cn1cccn1 ZINC001179104836 1133228571 /nfs/dbraw/zinc/22/85/71/1133228571.db2.gz DQYDWYDTWYWQJX-UHFFFAOYSA-N 0 3 347.418 3.976 20 10 EHCDHN COc1cc(Br)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC000769425483 1133282950 /nfs/dbraw/zinc/28/29/50/1133282950.db2.gz IAQNXSHZZCETIO-VXGBXAGGSA-N 0 3 340.261 3.785 20 10 EHCDHN COc1cccc(C[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)c1[O-] ZINC000769492203 1133291925 /nfs/dbraw/zinc/29/19/25/1133291925.db2.gz HCNPDIWOEADMJB-VJFUWPCTSA-N 0 3 333.472 3.961 20 10 EHCDHN COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)c1[O-] ZINC000769492203 1133291929 /nfs/dbraw/zinc/29/19/29/1133291929.db2.gz HCNPDIWOEADMJB-VJFUWPCTSA-N 0 3 333.472 3.961 20 10 EHCDHN CC(C)(CC[NH+]1CCCCCC1)NCc1ccc(F)c(F)c1[O-] ZINC001181042113 1133443742 /nfs/dbraw/zinc/44/37/42/1133443742.db2.gz CXBGRRRBWCIVFA-UHFFFAOYSA-N 0 3 326.431 3.805 20 10 EHCDHN CC[C@H]1CN(CC)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001181764334 1133523112 /nfs/dbraw/zinc/52/31/12/1133523112.db2.gz NMWCKYBFBSXSPK-HNNXBMFYSA-N 0 3 343.437 3.688 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOCC4(CCCC4)C3)c2c1 ZINC000774655506 1133834879 /nfs/dbraw/zinc/83/48/79/1133834879.db2.gz LPIUMOHWZLSDJX-UHFFFAOYSA-N 0 3 341.451 3.947 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOCC4(CCCC4)C3)c2c1 ZINC000774655506 1133834883 /nfs/dbraw/zinc/83/48/83/1133834883.db2.gz LPIUMOHWZLSDJX-UHFFFAOYSA-N 0 3 341.451 3.947 20 10 EHCDHN Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000786585478 1133871013 /nfs/dbraw/zinc/87/10/13/1133871013.db2.gz WLDHLDJNGJLAFQ-FRFSOERESA-N 0 3 329.415 3.581 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1cc(F)ccc1[O-] ZINC000787029397 1133939771 /nfs/dbraw/zinc/93/97/71/1133939771.db2.gz XNIXMAWDOOFIJO-ABKXIKBNSA-N 0 3 327.758 3.708 20 10 EHCDHN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc(OC)ccc1O ZINC000787333293 1133990776 /nfs/dbraw/zinc/99/07/76/1133990776.db2.gz UEALREKZCOFJIF-KRWDZBQOSA-N 0 3 335.831 3.874 20 10 EHCDHN COC(=O)[C@@](C)(C[NH2+]Cc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000787423438 1134001084 /nfs/dbraw/zinc/00/10/84/1134001084.db2.gz NBDAWOMFDKQRAL-IBGZPJMESA-N 0 3 347.842 3.575 20 10 EHCDHN C[NH+](C)CCCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792170728 1134662738 /nfs/dbraw/zinc/66/27/38/1134662738.db2.gz WJAORMDSVKCBLX-UHFFFAOYSA-N 0 3 328.859 3.739 20 10 EHCDHN CO[C@]1(C)CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000793340546 1134901975 /nfs/dbraw/zinc/90/19/75/1134901975.db2.gz QJBPCWAIZGDZNN-MRXNPFEDSA-N 0 3 342.277 3.854 20 10 EHCDHN CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000793340546 1134901978 /nfs/dbraw/zinc/90/19/78/1134901978.db2.gz QJBPCWAIZGDZNN-MRXNPFEDSA-N 0 3 342.277 3.854 20 10 EHCDHN COc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000793388167 1134920584 /nfs/dbraw/zinc/92/05/84/1134920584.db2.gz NVQPDMDLKIJQHL-JYRVWZFOSA-N 0 3 328.368 3.502 20 10 EHCDHN CC1(C)CCC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC001192014981 1134956903 /nfs/dbraw/zinc/95/69/03/1134956903.db2.gz XUKUOTIOYNTUQH-ZWKOTPCHSA-N 0 3 333.472 3.721 20 10 EHCDHN CC1(C)CCC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC001192014981 1134956913 /nfs/dbraw/zinc/95/69/13/1134956913.db2.gz XUKUOTIOYNTUQH-ZWKOTPCHSA-N 0 3 333.472 3.721 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)c2c1c(F)ccc2[O-] ZINC000775561875 1135097451 /nfs/dbraw/zinc/09/74/51/1135097451.db2.gz GFMAYGIAFOLOTJ-BLLLJJGKSA-N 0 3 339.414 3.799 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)c2c1c(F)ccc2[O-] ZINC000775561880 1135097721 /nfs/dbraw/zinc/09/77/21/1135097721.db2.gz GFMAYGIAFOLOTJ-MLGOLLRUSA-N 0 3 339.414 3.799 20 10 EHCDHN C[C@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172534 1135398303 /nfs/dbraw/zinc/39/83/03/1135398303.db2.gz NSLORTDUAYKCSX-YWZLYKJASA-N 0 3 329.463 3.845 20 10 EHCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808694219 1135711533 /nfs/dbraw/zinc/71/15/33/1135711533.db2.gz AVYOWRNDGABQEM-SJCJKPOMSA-N 0 3 335.831 3.747 20 10 EHCDHN CO[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808716551 1135720307 /nfs/dbraw/zinc/72/03/07/1135720307.db2.gz YUNBEMITNNLLME-CABZTGNLSA-N 0 3 325.758 3.972 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1[O-] ZINC000808715187 1135720374 /nfs/dbraw/zinc/72/03/74/1135720374.db2.gz BGCLDIKOHVHEFU-GJZGRUSLSA-N 0 3 340.895 3.506 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1[O-] ZINC000808695008 1135724578 /nfs/dbraw/zinc/72/45/78/1135724578.db2.gz IUWIVEXRYZLCBO-ZDUSSCGKSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(C)cc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775829050 1135786961 /nfs/dbraw/zinc/78/69/61/1135786961.db2.gz WMOQESQENRWWEN-INIZCTEOSA-N 0 3 325.456 3.659 20 10 EHCDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000775837347 1135796036 /nfs/dbraw/zinc/79/60/36/1135796036.db2.gz RPCXOMGAXBKDIZ-GFCCVEGCSA-N 0 3 349.837 3.834 20 10 EHCDHN C[C@H](O)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000809574739 1135853103 /nfs/dbraw/zinc/85/31/03/1135853103.db2.gz SQBUVDVSKNUKRQ-ZDUSSCGKSA-N 0 3 332.469 3.847 20 10 EHCDHN C[C@H](O)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000809574739 1135853104 /nfs/dbraw/zinc/85/31/04/1135853104.db2.gz SQBUVDVSKNUKRQ-ZDUSSCGKSA-N 0 3 332.469 3.847 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000809702600 1135869921 /nfs/dbraw/zinc/86/99/21/1135869921.db2.gz WLSJXRSHYSQQDR-SJKOYZFVSA-N 0 3 335.831 3.574 20 10 EHCDHN CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809767386 1135879666 /nfs/dbraw/zinc/87/96/66/1135879666.db2.gz JQQSMZPROFLMJX-LJQANCHMSA-N 0 3 343.467 3.810 20 10 EHCDHN CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809767386 1135879668 /nfs/dbraw/zinc/87/96/68/1135879668.db2.gz JQQSMZPROFLMJX-LJQANCHMSA-N 0 3 343.467 3.810 20 10 EHCDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809766385 1135888880 /nfs/dbraw/zinc/88/88/80/1135888880.db2.gz XIHHGESIRJPBOR-IBGZPJMESA-N 0 3 343.446 3.640 20 10 EHCDHN COc1cc(O)c(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000776012897 1135917589 /nfs/dbraw/zinc/91/75/89/1135917589.db2.gz KLYHYEGZIJUGGP-ZYHUDNBSSA-N 0 3 333.350 3.572 20 10 EHCDHN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000776012574 1135919895 /nfs/dbraw/zinc/91/98/95/1135919895.db2.gz HQUDLTAWDZENQT-YOEHRIQHSA-N 0 3 342.405 3.686 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)c1[O-] ZINC000810254195 1135948794 /nfs/dbraw/zinc/94/87/94/1135948794.db2.gz JXQJTADGNOMOKV-CHWSQXEVSA-N 0 3 343.309 3.842 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)c2c1 ZINC000811777886 1136134159 /nfs/dbraw/zinc/13/41/59/1136134159.db2.gz KPEBBMCFJBQBQW-VQTJNVASSA-N 0 3 341.451 3.943 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)c2c1 ZINC000811777886 1136134160 /nfs/dbraw/zinc/13/41/60/1136134160.db2.gz KPEBBMCFJBQBQW-VQTJNVASSA-N 0 3 341.451 3.943 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC000811778250 1136134286 /nfs/dbraw/zinc/13/42/86/1136134286.db2.gz JFNAQOFFFHDTEM-LBPRGKRZSA-N 0 3 349.377 3.809 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC000811778250 1136134289 /nfs/dbraw/zinc/13/42/89/1136134289.db2.gz JFNAQOFFFHDTEM-LBPRGKRZSA-N 0 3 349.377 3.809 20 10 EHCDHN COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCOCC1 ZINC000850350681 1136238752 /nfs/dbraw/zinc/23/87/52/1136238752.db2.gz FHMFYSPSCDAKTE-HXUWFJFHSA-N 0 3 341.451 3.590 20 10 EHCDHN COc1cc(CN[C@H]2C[C@H](O)c3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850375505 1136244666 /nfs/dbraw/zinc/24/46/66/1136244666.db2.gz RBQYMMUFVCNESA-OALUTQOASA-N 0 3 341.451 3.966 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)c([O-])c1 ZINC000850395606 1136248193 /nfs/dbraw/zinc/24/81/93/1136248193.db2.gz VGIYXZAUYRAIOG-UXHICEINSA-N 0 3 329.440 3.639 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C(C)C)C2CC2)c1[O-] ZINC000850398336 1136248805 /nfs/dbraw/zinc/24/88/05/1136248805.db2.gz NMIYSSMZDWMMJN-AWEZNQCLSA-N 0 3 328.250 3.688 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc2cnccc2o1 ZINC000850427591 1136257168 /nfs/dbraw/zinc/25/71/68/1136257168.db2.gz WSWINHQEEPBGHZ-OAHLLOKOSA-N 0 3 337.423 3.515 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2[O-] ZINC000850485597 1136268347 /nfs/dbraw/zinc/26/83/47/1136268347.db2.gz LXDAGSRQXYUHDE-LDYMZIIASA-N 0 3 341.308 3.678 20 10 EHCDHN C[C@@H]1C[C@@H](NCc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2O ZINC000850485597 1136268351 /nfs/dbraw/zinc/26/83/51/1136268351.db2.gz LXDAGSRQXYUHDE-LDYMZIIASA-N 0 3 341.308 3.678 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(Cl)cn3)C2)cc1 ZINC000850488886 1136269633 /nfs/dbraw/zinc/26/96/33/1136269633.db2.gz OZCFFQYJTDLCIW-HIFRSBDPSA-N 0 3 331.847 3.673 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CCCC2)c2c1c(F)ccc2[O-] ZINC000850502381 1136272788 /nfs/dbraw/zinc/27/27/88/1136272788.db2.gz VQEIJIJIFCBXRP-CJNGLKHVSA-N 0 3 341.430 3.865 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1[O-] ZINC000850502838 1136272835 /nfs/dbraw/zinc/27/28/35/1136272835.db2.gz RRMRAJNABZQKAS-OVXMFMJOSA-N 0 3 329.893 3.694 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1ccccc1[O-] ZINC000850579099 1136291964 /nfs/dbraw/zinc/29/19/64/1136291964.db2.gz RTBYGAGKDMDRFK-APWZRJJASA-N 0 3 341.451 3.939 20 10 EHCDHN Cc1cc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)ccc1N(C)C ZINC000815094514 1136555218 /nfs/dbraw/zinc/55/52/18/1136555218.db2.gz LCWZWKXJKIWLJR-KRWDZBQOSA-N 0 3 344.421 3.586 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccco1 ZINC000815556694 1136610230 /nfs/dbraw/zinc/61/02/30/1136610230.db2.gz BTMNYKIXDUWYOL-AZUAARDMSA-N 0 3 337.419 3.982 20 10 EHCDHN Cc1cc(F)ccc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000815561347 1136610768 /nfs/dbraw/zinc/61/07/68/1136610768.db2.gz DYSFOONYABHONQ-HNNXBMFYSA-N 0 3 346.421 3.961 20 10 EHCDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582552 1136614050 /nfs/dbraw/zinc/61/40/50/1136614050.db2.gz JJWQXNPPWZIROF-ZAAXVRCTSA-N 0 3 345.508 3.768 20 10 EHCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000815651188 1136626333 /nfs/dbraw/zinc/62/63/33/1136626333.db2.gz MMWYTKUDIPPLSU-IINYFYTJSA-N 0 3 328.250 3.539 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C(C)(C)O ZINC000815652233 1136626518 /nfs/dbraw/zinc/62/65/18/1136626518.db2.gz UTHAFPAMLCSNFV-GXFFZTMASA-N 0 3 330.266 3.663 20 10 EHCDHN COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000816597353 1136739859 /nfs/dbraw/zinc/73/98/59/1136739859.db2.gz OFEGRWBCCMYOGS-GDNBJRDFSA-N 0 3 327.424 3.740 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC23CCSCC3)c1[O-] ZINC000817411819 1136806171 /nfs/dbraw/zinc/80/61/71/1136806171.db2.gz WDGKQDNFICSHPY-GFCCVEGCSA-N 0 3 327.877 3.677 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954854 1136851035 /nfs/dbraw/zinc/85/10/35/1136851035.db2.gz LHKZVZTZDHHZBL-ABAIWWIYSA-N 0 3 335.245 3.505 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2NCCc3ccccc32)c2c1c(F)ccc2[O-] ZINC000817973408 1136853786 /nfs/dbraw/zinc/85/37/86/1136853786.db2.gz FHDGMUAZSWJENL-OAUYIBNBSA-N 0 3 326.415 3.556 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2CC=CC2)c1[O-] ZINC000858463241 1136970282 /nfs/dbraw/zinc/97/02/82/1136970282.db2.gz LQQOWUFGHFIHMI-JTQLQIEISA-N 0 3 326.234 3.780 20 10 EHCDHN Cc1cnccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000823855377 1137116566 /nfs/dbraw/zinc/11/65/66/1137116566.db2.gz QJOIWTBGPIGXFC-GOSISDBHSA-N 0 3 345.874 3.503 20 10 EHCDHN Cc1ccc(O)c(C[NH2+]Cc2cc(Br)cc(C)c2[O-])c1 ZINC000862476379 1137145823 /nfs/dbraw/zinc/14/58/23/1137145823.db2.gz RMWLOLOWVCUPEX-UHFFFAOYSA-N 0 3 336.229 3.767 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1[O-] ZINC000862481999 1137146381 /nfs/dbraw/zinc/14/63/81/1137146381.db2.gz CHRYJPYUFBBYKE-IBGZPJMESA-N 0 3 347.842 3.538 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1[O-] ZINC000862481999 1137146383 /nfs/dbraw/zinc/14/63/83/1137146383.db2.gz CHRYJPYUFBBYKE-IBGZPJMESA-N 0 3 347.842 3.538 20 10 EHCDHN CS[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824683619 1137148176 /nfs/dbraw/zinc/14/81/76/1137148176.db2.gz SMTLACLMVWXBPB-SFHVURJKSA-N 0 3 329.465 3.909 20 10 EHCDHN CS[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824683619 1137148177 /nfs/dbraw/zinc/14/81/77/1137148177.db2.gz SMTLACLMVWXBPB-SFHVURJKSA-N 0 3 329.465 3.909 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000862530026 1137148268 /nfs/dbraw/zinc/14/82/68/1137148268.db2.gz SGZAMWAOPYGREK-NQIIRXRSSA-N 0 3 339.435 3.628 20 10 EHCDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824903766 1137156282 /nfs/dbraw/zinc/15/62/82/1137156282.db2.gz MBXNYKHJCIGZBJ-UYAOXDASSA-N 0 3 327.424 3.628 20 10 EHCDHN COc1ccc(N2CCN(Cc3c[nH]c4cc(C)ccc34)CC2)cc1 ZINC001136967807 1137159215 /nfs/dbraw/zinc/15/92/15/1137159215.db2.gz SPWGOCYWUUICMQ-UHFFFAOYSA-N 0 3 335.451 3.807 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+](CCO)C1CCSCC1 ZINC000825129898 1137166784 /nfs/dbraw/zinc/16/67/84/1137166784.db2.gz HNRRBEFUTDURCK-UHFFFAOYSA-N 0 3 343.492 3.749 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+](CCO)C1CCSCC1 ZINC000825129898 1137166785 /nfs/dbraw/zinc/16/67/85/1137166785.db2.gz HNRRBEFUTDURCK-UHFFFAOYSA-N 0 3 343.492 3.749 20 10 EHCDHN CCc1cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702894 1137236181 /nfs/dbraw/zinc/23/61/81/1137236181.db2.gz KPCMZYXFKOSXTP-VFNWGFHPSA-N 0 3 347.499 3.632 20 10 EHCDHN CCc1cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702893 1137236286 /nfs/dbraw/zinc/23/62/86/1137236286.db2.gz KPCMZYXFKOSXTP-QVKFZJNVSA-N 0 3 347.499 3.632 20 10 EHCDHN CC[C@H]([NH2+]CC(C)(C)N1CCC(OC)CC1)c1ccc(C)cc1[O-] ZINC000794805059 1137253919 /nfs/dbraw/zinc/25/39/19/1137253919.db2.gz FIAXZOYXRNFMNE-SFHVURJKSA-N 0 3 334.504 3.631 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812082 1137264151 /nfs/dbraw/zinc/26/41/51/1137264151.db2.gz ZWCGJKVOHMYGMN-NVXWUHKLSA-N 0 3 327.424 3.754 20 10 EHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCN1CCCCC1 ZINC001144280763 1137265640 /nfs/dbraw/zinc/26/56/40/1137265640.db2.gz DSRYPWLLVLKVOJ-UHFFFAOYSA-N 0 3 345.512 3.714 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000794818753 1137266423 /nfs/dbraw/zinc/26/64/23/1137266423.db2.gz YNCQCEXNVIZDGL-UXLLHSPISA-N 0 3 334.460 3.608 20 10 EHCDHN C[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)c1ccnn1C ZINC000865838159 1137315780 /nfs/dbraw/zinc/31/57/80/1137315780.db2.gz QLEOOUUOYNZWQE-OAHLLOKOSA-N 0 3 340.496 3.969 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cc2cnccc2o1)C[C@@H]1CCCO1 ZINC000845903665 1137319205 /nfs/dbraw/zinc/31/92/05/1137319205.db2.gz RIIWQGAWKCBUGY-KRWDZBQOSA-N 0 3 338.407 3.715 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cc2cnccc2o1)C[C@@H]1CCCO1 ZINC000845903665 1137319206 /nfs/dbraw/zinc/31/92/06/1137319206.db2.gz RIIWQGAWKCBUGY-KRWDZBQOSA-N 0 3 338.407 3.715 20 10 EHCDHN CCCCOc1ncccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846147654 1137339313 /nfs/dbraw/zinc/33/93/13/1137339313.db2.gz WZIPTPDPCGJWNU-CQSZACIVSA-N 0 3 330.428 3.826 20 10 EHCDHN O=C(NCc1cc(Cl)ccc1O)c1cccc(CN2CCCC2)c1 ZINC000846473175 1137352929 /nfs/dbraw/zinc/35/29/29/1137352929.db2.gz QHEDNSGZHJPVFH-UHFFFAOYSA-N 0 3 344.842 3.571 20 10 EHCDHN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866464450 1137357119 /nfs/dbraw/zinc/35/71/19/1137357119.db2.gz JHEBJFZGLWWMJW-HEHGZKQESA-N 0 3 330.394 3.639 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@@H]1CCc3c(F)cc(F)cc3C1)CCC2 ZINC001171387473 1137467308 /nfs/dbraw/zinc/46/73/08/1137467308.db2.gz HRIOPUHZFIZIEW-MRXNPFEDSA-N 0 3 345.389 3.682 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903275 1137517788 /nfs/dbraw/zinc/51/77/88/1137517788.db2.gz OHHHJUJLVXGMIE-IBGZPJMESA-N 0 3 338.451 3.519 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903275 1137517790 /nfs/dbraw/zinc/51/77/90/1137517790.db2.gz OHHHJUJLVXGMIE-IBGZPJMESA-N 0 3 338.451 3.519 20 10 EHCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccc(F)c(F)c1 ZINC000876573148 1137655892 /nfs/dbraw/zinc/65/58/92/1137655892.db2.gz NWXNIXRLXAAJRG-UHFFFAOYSA-N 0 3 346.421 3.558 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000876963613 1137666393 /nfs/dbraw/zinc/66/63/93/1137666393.db2.gz FXFPHNHVNFHMMV-UHFFFAOYSA-N 0 3 329.415 3.678 20 10 EHCDHN CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000877193438 1137672592 /nfs/dbraw/zinc/67/25/92/1137672592.db2.gz DDZHYEXVTQVIHT-UHFFFAOYSA-N 0 3 332.488 3.561 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1[O-] ZINC000877698443 1137686206 /nfs/dbraw/zinc/68/62/06/1137686206.db2.gz VCFHKXJQYHKWIX-MRXNPFEDSA-N 0 3 339.863 3.883 20 10 EHCDHN Cc1cc(C)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000878357706 1137712418 /nfs/dbraw/zinc/71/24/18/1137712418.db2.gz FSHLCVWDBULYEX-QGZVFWFLSA-N 0 3 339.483 3.694 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000879007750 1137735061 /nfs/dbraw/zinc/73/50/61/1137735061.db2.gz GXLWARNHXZEVAP-FQEVSTJZSA-N 0 3 339.483 3.531 20 10 EHCDHN Cc1cc(=O)oc2cc(OCC[NH2+][C@H](C)c3ccccc3[O-])ccc12 ZINC000879648195 1137753433 /nfs/dbraw/zinc/75/34/33/1137753433.db2.gz DLDXZJXLXWVDPK-CQSZACIVSA-N 0 3 339.391 3.537 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000879648659 1137753544 /nfs/dbraw/zinc/75/35/44/1137753544.db2.gz XZCXVARCONBQCY-CHWSQXEVSA-N 0 3 348.393 3.541 20 10 EHCDHN CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650324 1137753741 /nfs/dbraw/zinc/75/37/41/1137753741.db2.gz UQOCJSYSXQIPEO-AWEZNQCLSA-N 0 3 340.423 3.664 20 10 EHCDHN Cc1cc(=O)oc2cc(OCC[NH2+][C@@H](C)c3ccccc3[O-])ccc12 ZINC000879651010 1137753801 /nfs/dbraw/zinc/75/38/01/1137753801.db2.gz DLDXZJXLXWVDPK-AWEZNQCLSA-N 0 3 339.391 3.537 20 10 EHCDHN C[C@H]([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000883225213 1137849483 /nfs/dbraw/zinc/84/94/83/1137849483.db2.gz BMAUHJLSYVMXOY-RYUDHWBXSA-N 0 3 344.402 3.591 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c2c1c(F)ccc2[O-] ZINC000883263071 1137851235 /nfs/dbraw/zinc/85/12/35/1137851235.db2.gz GCNODARFYUGEEI-YCPHGPKFSA-N 0 3 349.446 3.645 20 10 EHCDHN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000883272058 1137851804 /nfs/dbraw/zinc/85/18/04/1137851804.db2.gz CJZJWZSCOGANBC-GVXVVHGQSA-N 0 3 328.250 3.539 20 10 EHCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](N)CC1CC1 ZINC000884305270 1137946287 /nfs/dbraw/zinc/94/62/87/1137946287.db2.gz QISSSQUNZKAKLA-BEFAXECRSA-N 0 3 338.451 3.609 20 10 EHCDHN COc1cccc(CN(C)Cc2cc(Br)cs2)c1O ZINC000091888175 1138222831 /nfs/dbraw/zinc/22/28/31/1138222831.db2.gz YDEYKILZLQVBEP-UHFFFAOYSA-N 0 3 342.258 3.857 20 10 EHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000122765382 1138261788 /nfs/dbraw/zinc/26/17/88/1138261788.db2.gz GAJFMBAUWSYFQZ-KKSFZXQISA-N 0 3 341.451 3.807 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1 ZINC000151068533 1139006184 /nfs/dbraw/zinc/00/61/84/1139006184.db2.gz PMIQQGGWDOAYLU-CQSZACIVSA-N 0 3 332.394 3.652 20 10 EHCDHN CCOc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000152638678 1139101438 /nfs/dbraw/zinc/10/14/38/1139101438.db2.gz FJNQVPGRBBXEAZ-CQSZACIVSA-N 0 3 343.427 3.910 20 10 EHCDHN CCOC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183114457 1140014571 /nfs/dbraw/zinc/01/45/71/1140014571.db2.gz KAHOYCSFMSDIHL-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN CCOC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183114457 1140014579 /nfs/dbraw/zinc/01/45/79/1140014579.db2.gz KAHOYCSFMSDIHL-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(O[C@H]2CCOC2)c1 ZINC000183557941 1140046435 /nfs/dbraw/zinc/04/64/35/1140046435.db2.gz DGEXAGJRJSRDTA-RDJZCZTQSA-N 0 3 327.424 3.719 20 10 EHCDHN C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1cc(F)ccc1[O-] ZINC000184988263 1140129988 /nfs/dbraw/zinc/12/99/88/1140129988.db2.gz SXEQMIPHFIESRU-AWEZNQCLSA-N 0 3 342.414 3.505 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c([O-])c1 ZINC000185011037 1140131489 /nfs/dbraw/zinc/13/14/89/1140131489.db2.gz BUHDABLYORGZIB-INIZCTEOSA-N 0 3 338.451 3.674 20 10 EHCDHN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185051482 1140133961 /nfs/dbraw/zinc/13/39/61/1140133961.db2.gz FKJOUTKGIXWANL-KGLIPLIRSA-N 0 3 344.430 3.910 20 10 EHCDHN O=C(C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)C(F)(F)F ZINC000185100815 1140135910 /nfs/dbraw/zinc/13/59/10/1140135910.db2.gz DYHWYUBTVMJCIX-UHFFFAOYSA-N 0 3 337.341 3.889 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000185172740 1140138911 /nfs/dbraw/zinc/13/89/11/1140138911.db2.gz ICBUFHPODLOMCQ-MRXNPFEDSA-N 0 3 338.451 3.656 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000185470621 1140151279 /nfs/dbraw/zinc/15/12/79/1140151279.db2.gz QBVVVWJWIWRLLG-MGPUTAFESA-N 0 3 329.440 3.872 20 10 EHCDHN COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000185712278 1140165662 /nfs/dbraw/zinc/16/56/62/1140165662.db2.gz UFSOAVANUIQDLK-CVEARBPZSA-N 0 3 326.440 3.639 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(O[C@H]2CCOC2)c1 ZINC000185726900 1140166569 /nfs/dbraw/zinc/16/65/69/1140166569.db2.gz LOAIZGKQTTZTBU-YOEHRIQHSA-N 0 3 345.414 3.858 20 10 EHCDHN CN1CCCc2cc(CNCc3cncc(Br)c3)ccc21 ZINC000186611230 1140213427 /nfs/dbraw/zinc/21/34/27/1140213427.db2.gz APRQXWFXVUTCJL-UHFFFAOYSA-N 0 3 346.272 3.516 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000359872334 201113880 /nfs/dbraw/zinc/11/38/80/201113880.db2.gz OSMCEVXXPSLTOJ-UVFQYZLESA-N 0 3 328.431 3.875 20 10 EHCDHN [O-]c1c(C[NH2+]C2CCN(CC3CC3)CC2)cc(Cl)c2cccnc12 ZINC001168358296 1032059467 /nfs/dbraw/zinc/05/94/67/1032059467.db2.gz QAFJFEIESKRDIT-UHFFFAOYSA-N 0 3 345.874 3.558 20 10 EHCDHN C[C@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000183160411 1125459239 /nfs/dbraw/zinc/45/92/39/1125459239.db2.gz JUFQBCLKTOPGQG-HXUWFJFHSA-N 0 3 327.424 3.630 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccncc2)c1[O-] ZINC000275287187 1016308312 /nfs/dbraw/zinc/30/83/12/1016308312.db2.gz FRZAOCMBHARULB-GFCCVEGCSA-N 0 3 335.245 3.751 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1[O-] ZINC000279972210 1019151706 /nfs/dbraw/zinc/15/17/06/1019151706.db2.gz DAJCWCZHTSYMNJ-MRXNPFEDSA-N 0 3 345.439 3.967 20 10 EHCDHN CCCCNC(=O)c1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000065981038 1020518719 /nfs/dbraw/zinc/51/87/19/1020518719.db2.gz QYEQAMRJWXMYIP-UHFFFAOYSA-N 0 3 340.467 3.823 20 10 EHCDHN C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccccc1[O-] ZINC000760041128 1024235456 /nfs/dbraw/zinc/23/54/56/1024235456.db2.gz WHYIXYHWEOYYPL-RVHYNSKXSA-N 0 3 343.442 3.956 20 10 EHCDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760042819 1024237302 /nfs/dbraw/zinc/23/73/02/1024237302.db2.gz YOUQNYLAVLDRPA-CMKODMSKSA-N 0 3 329.415 3.738 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C1CCCC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892011945 1024329439 /nfs/dbraw/zinc/32/94/39/1024329439.db2.gz IONOIEMSWSOIJX-QZTJIDSGSA-N 0 3 349.446 3.771 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C1CCCC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892011945 1024329451 /nfs/dbraw/zinc/32/94/51/1024329451.db2.gz IONOIEMSWSOIJX-QZTJIDSGSA-N 0 3 349.446 3.771 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCCOC1 ZINC000895661641 1024701584 /nfs/dbraw/zinc/70/15/84/1024701584.db2.gz CRSRPOFVTDNZCK-DOMZBBRYSA-N 0 3 342.277 3.758 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1[O-] ZINC000897969263 1033264692 /nfs/dbraw/zinc/26/46/92/1033264692.db2.gz HVQZUNXUEYMXMD-LBPRGKRZSA-N 0 3 335.245 3.579 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC000896532056 1025547573 /nfs/dbraw/zinc/54/75/73/1025547573.db2.gz SNSXWYZNCZJIJR-AWEZNQCLSA-N 0 3 332.469 3.702 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c([O-])c1 ZINC000896532056 1025547584 /nfs/dbraw/zinc/54/75/84/1025547584.db2.gz SNSXWYZNCZJIJR-AWEZNQCLSA-N 0 3 332.469 3.702 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000848540605 1025863941 /nfs/dbraw/zinc/86/39/41/1025863941.db2.gz PXSVMNUKUWZOAA-SECBINFHSA-N 0 3 326.234 3.757 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000897035911 1026255543 /nfs/dbraw/zinc/25/55/43/1026255543.db2.gz ZCXUTWNOHMVFTL-UHFFFAOYSA-N 0 3 344.421 3.670 20 10 EHCDHN CCOCCOCc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000272813393 1027130181 /nfs/dbraw/zinc/13/01/81/1027130181.db2.gz DOPUFHFWEKABHF-MRXNPFEDSA-N 0 3 329.440 3.796 20 10 EHCDHN COc1cccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348257 1027388750 /nfs/dbraw/zinc/38/87/50/1027388750.db2.gz AMGXVOWGDKKHMQ-HKUYNNGSSA-N 0 3 345.414 3.892 20 10 EHCDHN COc1cccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348257 1027388766 /nfs/dbraw/zinc/38/87/66/1027388766.db2.gz AMGXVOWGDKKHMQ-HKUYNNGSSA-N 0 3 345.414 3.892 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273610447 1027518131 /nfs/dbraw/zinc/51/81/31/1027518131.db2.gz VREYAAQJUOPBRN-CQSZACIVSA-N 0 3 347.459 3.748 20 10 EHCDHN C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273610447 1027518135 /nfs/dbraw/zinc/51/81/35/1027518135.db2.gz VREYAAQJUOPBRN-CQSZACIVSA-N 0 3 347.459 3.748 20 10 EHCDHN Cc1nc(C)c(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000119902144 1027841357 /nfs/dbraw/zinc/84/13/57/1027841357.db2.gz JMNDMNQTDRKGMW-GFCCVEGCSA-N 0 3 349.475 3.586 20 10 EHCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000382464941 1028995571 /nfs/dbraw/zinc/99/55/71/1028995571.db2.gz ZSJAHPJMOPQDKB-VNQPRFMTSA-N 0 3 346.471 3.663 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)CCCOc2ccccc2)c1[O-] ZINC000761192663 1034376812 /nfs/dbraw/zinc/37/68/12/1034376812.db2.gz XUTGUCQRPGHMDS-UHFFFAOYSA-N 0 3 335.831 3.955 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCCOc2ccccc2)c1[O-] ZINC000761192663 1034376820 /nfs/dbraw/zinc/37/68/20/1034376820.db2.gz XUTGUCQRPGHMDS-UHFFFAOYSA-N 0 3 335.831 3.955 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)CCN(C)c2ccccc2)c1[O-] ZINC000761199373 1034388731 /nfs/dbraw/zinc/38/87/31/1034388731.db2.gz MFHKOYKAGOUQFL-UHFFFAOYSA-N 0 3 334.847 3.622 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCN(C)c2ccccc2)c1[O-] ZINC000761199373 1034388746 /nfs/dbraw/zinc/38/87/46/1034388746.db2.gz MFHKOYKAGOUQFL-UHFFFAOYSA-N 0 3 334.847 3.622 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000761216837 1034589963 /nfs/dbraw/zinc/58/99/63/1034589963.db2.gz YNWFCAPDZQRUTE-MRXNPFEDSA-N 0 3 337.851 3.665 20 10 EHCDHN CCN(CC)[C@@H](C[NH2+]Cc1c([O-])cccc1OC)c1ccccc1 ZINC000725841532 1034678442 /nfs/dbraw/zinc/67/84/42/1034678442.db2.gz MGUTUILFCAXJQV-SFHVURJKSA-N 0 3 328.456 3.574 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([O-])c1 ZINC000761226961 1034820372 /nfs/dbraw/zinc/82/03/72/1034820372.db2.gz XZKIUJDNQMDICF-HXUWFJFHSA-N 0 3 341.451 3.564 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([O-])c1 ZINC000761226961 1034820387 /nfs/dbraw/zinc/82/03/87/1034820387.db2.gz XZKIUJDNQMDICF-HXUWFJFHSA-N 0 3 341.451 3.564 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c([O-])c1 ZINC000185718926 1035522458 /nfs/dbraw/zinc/52/24/58/1035522458.db2.gz UCCFURWKKLTDHU-UONOGXRCSA-N 0 3 331.847 3.679 20 10 EHCDHN C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186152890 1035590937 /nfs/dbraw/zinc/59/09/37/1035590937.db2.gz SVCJWGWCARTTFG-LSDHHAIUSA-N 0 3 343.446 3.803 20 10 EHCDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C)cc(C(C)(C)C)c3O)[C@H]2C1 ZINC000165224950 1036339853 /nfs/dbraw/zinc/33/98/53/1036339853.db2.gz ALIFKBKJRXDJOI-NZSAHSFTSA-N 0 3 347.499 3.766 20 10 EHCDHN C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000187742355 1039719470 /nfs/dbraw/zinc/71/94/70/1039719470.db2.gz GXNIKUYIAXMFLG-CQSZACIVSA-N 0 3 332.444 3.610 20 10 EHCDHN COc1ccc(CN[C@H]2CCCOc3cc(F)ccc32)c(O)c1OC ZINC000893316492 1040156709 /nfs/dbraw/zinc/15/67/09/1040156709.db2.gz FIDORZKIGNRFBC-HNNXBMFYSA-N 0 3 347.386 3.552 20 10 EHCDHN COc1ccc(N2CCC(N[C@@H](C)c3ncc(C)s3)CC2)cc1 ZINC000162549500 1042738070 /nfs/dbraw/zinc/73/80/70/1042738070.db2.gz MPVHXSGASKTMIC-AWEZNQCLSA-N 0 3 331.485 3.780 20 10 EHCDHN C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000183471285 1125572559 /nfs/dbraw/zinc/57/25/59/1125572559.db2.gz RDIZSYWQNDUYRV-CQSZACIVSA-N 0 3 327.424 3.792 20 10 EHCDHN C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000186145758 1127354734 /nfs/dbraw/zinc/35/47/34/1127354734.db2.gz NXKFMGQYDJSFJN-SNVBAGLBSA-N 0 3 344.308 3.675 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000186200889 1128183132 /nfs/dbraw/zinc/18/31/32/1128183132.db2.gz IQJBYQBJNLMSSH-BBRMVZONSA-N 0 3 334.460 3.655 20 10 EHCDHN CCOc1cc(F)cc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC001648950664 1120252200 /nfs/dbraw/zinc/25/22/00/1120252200.db2.gz FYIVQMJBEPUZOP-UHFFFAOYSA-N 0 3 328.431 3.897 20 10 EHCDHN CN(C)c1ccc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000155183763 1123290440 /nfs/dbraw/zinc/29/04/40/1123290440.db2.gz IETSYDAODIMHOJ-UHFFFAOYSA-N 0 3 338.430 3.914 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000179945205 1123904791 /nfs/dbraw/zinc/90/47/91/1123904791.db2.gz NAEXYDQPJHWRIL-UHFFFAOYSA-N 0 3 337.341 3.853 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1cc(F)ccc1[O-])COCc1ccccc1 ZINC000702801419 1130249117 /nfs/dbraw/zinc/24/91/17/1130249117.db2.gz DYLVHRYOTSINMA-YWZLYKJASA-N 0 3 347.430 3.804 20 10 EHCDHN CCCN(CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1O ZINC000727830558 1130597241 /nfs/dbraw/zinc/59/72/41/1130597241.db2.gz BTKNYZGBYYEHFD-UHFFFAOYSA-N 0 3 330.472 3.538 20 10 EHCDHN COc1cccc([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000732230000 1130902463 /nfs/dbraw/zinc/90/24/63/1130902463.db2.gz UDYSWAMQULRAHN-JOCHJYFZSA-N 0 3 349.430 3.891 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000740899784 1131555551 /nfs/dbraw/zinc/55/55/51/1131555551.db2.gz SOSPEVOIVJOEAF-AWEZNQCLSA-N 0 3 342.222 3.531 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000743869862 1131995911 /nfs/dbraw/zinc/99/59/11/1131995911.db2.gz CVINOIIRBJTOHZ-WMZOPIPTSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000743869862 1131995918 /nfs/dbraw/zinc/99/59/18/1131995918.db2.gz CVINOIIRBJTOHZ-WMZOPIPTSA-N 0 3 332.488 3.784 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ccccc2[O-])c1F ZINC001173198451 1131998156 /nfs/dbraw/zinc/99/81/56/1131998156.db2.gz ZRCDGBFSUFFUKB-GFCCVEGCSA-N 0 3 348.374 3.511 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2ccccc2[O-])c1F ZINC001173198451 1131998163 /nfs/dbraw/zinc/99/81/63/1131998163.db2.gz ZRCDGBFSUFFUKB-GFCCVEGCSA-N 0 3 348.374 3.511 20 10 EHCDHN CCC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC000744392417 1132083061 /nfs/dbraw/zinc/08/30/61/1132083061.db2.gz MSUVSCAJRSYYQI-UHFFFAOYSA-N 0 3 348.393 3.911 20 10 EHCDHN CCC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC000744392417 1132083067 /nfs/dbraw/zinc/08/30/67/1132083067.db2.gz MSUVSCAJRSYYQI-UHFFFAOYSA-N 0 3 348.393 3.911 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc2ccccc2c1 ZINC000768208129 1133107850 /nfs/dbraw/zinc/10/78/50/1133107850.db2.gz NUWLZUUMOGYIKC-UHFFFAOYSA-N 0 3 347.462 3.703 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000768213950 1133113632 /nfs/dbraw/zinc/11/36/32/1133113632.db2.gz CBTAAFXNCHUZLV-UHFFFAOYSA-N 0 3 327.424 3.582 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768234805 1133116421 /nfs/dbraw/zinc/11/64/21/1133116421.db2.gz QJGKTTHSPIXRQW-UHFFFAOYSA-N 0 3 335.407 3.566 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000768234805 1133116423 /nfs/dbraw/zinc/11/64/23/1133116423.db2.gz QJGKTTHSPIXRQW-UHFFFAOYSA-N 0 3 335.407 3.566 20 10 EHCDHN C[N@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442492 1133139145 /nfs/dbraw/zinc/13/91/45/1133139145.db2.gz QZAKLCHYRLZKFX-HXUWFJFHSA-N 0 3 335.403 3.603 20 10 EHCDHN C[N@@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442492 1133139148 /nfs/dbraw/zinc/13/91/48/1133139148.db2.gz QZAKLCHYRLZKFX-HXUWFJFHSA-N 0 3 335.403 3.603 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCC1CCCC1)[C@H](O)CO2 ZINC000768462535 1133144358 /nfs/dbraw/zinc/14/43/58/1133144358.db2.gz MQIZCCSEFKKNSK-VQIMIIECSA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CCC1CCCC1)[C@H](O)CO2 ZINC000768462535 1133144361 /nfs/dbraw/zinc/14/43/61/1133144361.db2.gz MQIZCCSEFKKNSK-VQIMIIECSA-N 0 3 331.456 3.753 20 10 EHCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1c1cccc(F)c1 ZINC000768466429 1133145067 /nfs/dbraw/zinc/14/50/67/1133145067.db2.gz QHRUOYPULAPVCJ-CCMJGWDWSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1c1cccc(F)c1 ZINC000768466429 1133145072 /nfs/dbraw/zinc/14/50/72/1133145072.db2.gz QHRUOYPULAPVCJ-CCMJGWDWSA-N 0 3 343.398 3.540 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNC(C)(C)C(=O)NCC(C)(C)C ZINC001178238015 1133150660 /nfs/dbraw/zinc/15/06/60/1133150660.db2.gz KINWBJJNBYHJOJ-UHFFFAOYSA-N 0 3 329.488 3.517 20 10 EHCDHN COCC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000768541318 1133153228 /nfs/dbraw/zinc/15/32/28/1133153228.db2.gz NHTMYSZTKXSIHA-CYBMUJFWSA-N 0 3 327.852 3.693 20 10 EHCDHN COCC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000768541318 1133153232 /nfs/dbraw/zinc/15/32/32/1133153232.db2.gz NHTMYSZTKXSIHA-CYBMUJFWSA-N 0 3 327.852 3.693 20 10 EHCDHN COCCN(Cc1ccc(C)cc1C)Cc1c(O)cccc1OC ZINC000768564977 1133156725 /nfs/dbraw/zinc/15/67/25/1133156725.db2.gz RHBYSYLXQQGZOE-UHFFFAOYSA-N 0 3 329.440 3.666 20 10 EHCDHN COc1cccc(C[C@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)c1 ZINC000768935462 1133205663 /nfs/dbraw/zinc/20/56/63/1133205663.db2.gz ANYJTUUGPIXOIR-MRXNPFEDSA-N 0 3 327.424 3.617 20 10 EHCDHN COc1cccc(C[C@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)c1 ZINC000768935462 1133205671 /nfs/dbraw/zinc/20/56/71/1133205671.db2.gz ANYJTUUGPIXOIR-MRXNPFEDSA-N 0 3 327.424 3.617 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CCC2CC2)c1[O-] ZINC000768951982 1133212194 /nfs/dbraw/zinc/21/21/94/1133212194.db2.gz ISSZRAMRQBPZIZ-JTQLQIEISA-N 0 3 328.250 3.832 20 10 EHCDHN CCCN(Cc1cc(C)ccc1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000769210150 1133245394 /nfs/dbraw/zinc/24/53/94/1133245394.db2.gz GRXWXCGIRYLJFX-INIZCTEOSA-N 0 3 326.440 3.940 20 10 EHCDHN COc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)c([O-])c1OC ZINC001179931265 1133300684 /nfs/dbraw/zinc/30/06/84/1133300684.db2.gz KFNUGIBLXXBJIJ-UHFFFAOYSA-N 0 3 345.414 3.756 20 10 EHCDHN COc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c([O-])c1OC ZINC001179931265 1133300690 /nfs/dbraw/zinc/30/06/90/1133300690.db2.gz KFNUGIBLXXBJIJ-UHFFFAOYSA-N 0 3 345.414 3.756 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000770312058 1133409616 /nfs/dbraw/zinc/40/96/16/1133409616.db2.gz ILUIYLVYXDOVSK-HXUWFJFHSA-N 0 3 326.488 3.912 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)c([O-])c1 ZINC000770747850 1133468613 /nfs/dbraw/zinc/46/86/13/1133468613.db2.gz QVZWMDPJOIRWTG-DJJJIMSYSA-N 0 3 333.403 3.796 20 10 EHCDHN CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1OC ZINC000771935427 1133616652 /nfs/dbraw/zinc/61/66/52/1133616652.db2.gz RWNUQGFFKVGWTJ-UHFFFAOYSA-N 0 3 328.456 3.792 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000774480341 1133687189 /nfs/dbraw/zinc/68/71/89/1133687189.db2.gz AIIMZWFTYSPTAK-OLZOCXBDSA-N 0 3 347.409 3.709 20 10 EHCDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482395 1133688097 /nfs/dbraw/zinc/68/80/97/1133688097.db2.gz KESSJZXAMSTZRB-XYJFISCASA-N 0 3 331.504 3.583 20 10 EHCDHN [O-]c1cc2c(cc1C[NH2+]C13CCC(C(F)(F)F)(CC1)CC3)OCO2 ZINC000787299016 1133986048 /nfs/dbraw/zinc/98/60/48/1133986048.db2.gz TWFTWNYSMWIPIQ-UHFFFAOYSA-N 0 3 343.345 3.866 20 10 EHCDHN CCn1cccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)c1=O ZINC000788606408 1134150235 /nfs/dbraw/zinc/15/02/35/1134150235.db2.gz GPSFAMHCSPMHSZ-QGZVFWFLSA-N 0 3 339.483 3.709 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c2c1 ZINC000789541614 1134293184 /nfs/dbraw/zinc/29/31/84/1134293184.db2.gz OMBXJPZRFMWHHQ-HXUWFJFHSA-N 0 3 327.424 3.557 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(C3)CCCOC4)c2c1 ZINC000789541614 1134293189 /nfs/dbraw/zinc/29/31/89/1134293189.db2.gz OMBXJPZRFMWHHQ-HXUWFJFHSA-N 0 3 327.424 3.557 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC000791003152 1134491701 /nfs/dbraw/zinc/49/17/01/1134491701.db2.gz LCPRFAGHSQUFTN-HRAATJIYSA-N 0 3 343.467 3.510 20 10 EHCDHN CC(C)C[N@@H+]1CCC[C@@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790983139 1134495420 /nfs/dbraw/zinc/49/54/20/1134495420.db2.gz NCZSYPLMKZNVRM-ZDUSSCGKSA-N 0 3 328.859 3.642 20 10 EHCDHN CC(C)C[N@H+]1CCC[C@@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000790983139 1134495423 /nfs/dbraw/zinc/49/54/23/1134495423.db2.gz NCZSYPLMKZNVRM-ZDUSSCGKSA-N 0 3 328.859 3.642 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000775416643 1134759163 /nfs/dbraw/zinc/75/91/63/1134759163.db2.gz VYWDQTBQNUEVCX-MOPGFXCFSA-N 0 3 338.451 3.937 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1[O-] ZINC000775492187 1134942438 /nfs/dbraw/zinc/94/24/38/1134942438.db2.gz NFHHMOXNTQRKNJ-KRWDZBQOSA-N 0 3 326.396 3.590 20 10 EHCDHN CCOc1cccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O ZINC000793617910 1134973641 /nfs/dbraw/zinc/97/36/41/1134973641.db2.gz XXTWSXIAMSUXNA-DZGCQCFKSA-N 0 3 330.255 3.807 20 10 EHCDHN COc1ccccc1CN(Cc1cccc(C)c1O)C[C@H]1CCCO1 ZINC000775656328 1135425771 /nfs/dbraw/zinc/42/57/71/1135425771.db2.gz DFUWUPJDHGRRCV-LJQANCHMSA-N 0 3 341.451 3.890 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000775696756 1135532503 /nfs/dbraw/zinc/53/25/03/1135532503.db2.gz NVNSHXNKPAUHTD-SFHVURJKSA-N 0 3 331.843 3.836 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000775696756 1135532505 /nfs/dbraw/zinc/53/25/05/1135532505.db2.gz NVNSHXNKPAUHTD-SFHVURJKSA-N 0 3 331.843 3.836 20 10 EHCDHN CCOc1ccc(O)c(CN[C@H](COC)c2cccc(Cl)c2)c1 ZINC000808454764 1135671033 /nfs/dbraw/zinc/67/10/33/1135671033.db2.gz PCADCVASQDITAZ-QGZVFWFLSA-N 0 3 335.831 3.922 20 10 EHCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808694221 1135711588 /nfs/dbraw/zinc/71/15/88/1135711588.db2.gz AVYOWRNDGABQEM-SJKOYZFVSA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000808706381 1135716769 /nfs/dbraw/zinc/71/67/69/1135716769.db2.gz IMTKJXWKVXLHTG-VERVWZFWSA-N 0 3 337.872 3.942 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1[O-] ZINC000808702628 1135726428 /nfs/dbraw/zinc/72/64/28/1135726428.db2.gz KVPTYXBRACRCQQ-JTQLQIEISA-N 0 3 347.768 3.964 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1[O-] ZINC000808701759 1135726851 /nfs/dbraw/zinc/72/68/51/1135726851.db2.gz HKTFZALGNQLCQY-OCCSQVGLSA-N 0 3 349.837 3.818 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758078 1135888159 /nfs/dbraw/zinc/88/81/59/1135888159.db2.gz BSOIEZPSDBGUPZ-UONOGXRCSA-N 0 3 339.863 3.693 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000809758078 1135888162 /nfs/dbraw/zinc/88/81/62/1135888162.db2.gz BSOIEZPSDBGUPZ-UONOGXRCSA-N 0 3 339.863 3.693 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209793 1135943318 /nfs/dbraw/zinc/94/33/18/1135943318.db2.gz VVCBOEXVWSOIFM-LRDDRELGSA-N 0 3 342.405 3.936 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c2c1c(F)ccc2[O-] ZINC000810247124 1135947612 /nfs/dbraw/zinc/94/76/12/1135947612.db2.gz TWXLPNZSYYWGOA-RAWFVAKBSA-N 0 3 341.426 3.835 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)c2c1 ZINC000811777880 1136134300 /nfs/dbraw/zinc/13/43/00/1136134300.db2.gz KPEBBMCFJBQBQW-PMACEKPBSA-N 0 3 341.451 3.943 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)c2c1 ZINC000811777880 1136134302 /nfs/dbraw/zinc/13/43/02/1136134302.db2.gz KPEBBMCFJBQBQW-PMACEKPBSA-N 0 3 341.451 3.943 20 10 EHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)F)nc1 ZINC000850426786 1136256598 /nfs/dbraw/zinc/25/65/98/1136256598.db2.gz FBNQJYOVHXWSHJ-AWEZNQCLSA-N 0 3 347.409 3.707 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2[O-] ZINC000850485594 1136268092 /nfs/dbraw/zinc/26/80/92/1136268092.db2.gz LXDAGSRQXYUHDE-GZMMTYOYSA-N 0 3 341.308 3.678 20 10 EHCDHN C[C@H]1C[C@@H](NCc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2O ZINC000850485594 1136268096 /nfs/dbraw/zinc/26/80/96/1136268096.db2.gz LXDAGSRQXYUHDE-GZMMTYOYSA-N 0 3 341.308 3.678 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(OC)cc3F)C2)cc1 ZINC000850488575 1136269789 /nfs/dbraw/zinc/26/97/89/1136269789.db2.gz NISCTVKDZUYFNH-LSDHHAIUSA-N 0 3 344.430 3.772 20 10 EHCDHN COc1ccc(-c2cc(CN[C@@H]3CCc4cccc(O)c43)on2)cc1 ZINC000850526637 1136278658 /nfs/dbraw/zinc/27/86/58/1136278658.db2.gz RNFOBABINDBPGA-QGZVFWFLSA-N 0 3 336.391 3.833 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2=CCCC2)c1[O-] ZINC000850558421 1136285212 /nfs/dbraw/zinc/28/52/12/1136285212.db2.gz WFDKJPZNUHOKCC-SNVBAGLBSA-N 0 3 326.234 3.924 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000850565526 1136287071 /nfs/dbraw/zinc/28/70/71/1136287071.db2.gz DBQIEWDBJRUGAX-ZYHUDNBSSA-N 0 3 329.362 3.610 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1[O-] ZINC000850566865 1136287512 /nfs/dbraw/zinc/28/75/12/1136287512.db2.gz SOZHUJUNHRONQN-NSHDSACASA-N 0 3 333.806 3.945 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000851879305 1136415208 /nfs/dbraw/zinc/41/52/08/1136415208.db2.gz HYMVJSAEMXDCDH-MAUKXSAKSA-N 0 3 325.408 3.661 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000851879305 1136415211 /nfs/dbraw/zinc/41/52/11/1136415211.db2.gz HYMVJSAEMXDCDH-MAUKXSAKSA-N 0 3 325.408 3.661 20 10 EHCDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000814300461 1136437958 /nfs/dbraw/zinc/43/79/58/1136437958.db2.gz KCDODUKIGSREFE-INIZCTEOSA-N 0 3 340.467 3.701 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c([O-])c1 ZINC000853095497 1136509291 /nfs/dbraw/zinc/50/92/91/1136509291.db2.gz ZHADSGAMISGVDY-AWEZNQCLSA-N 0 3 327.424 3.967 20 10 EHCDHN C[C@@H]1CCN(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815585702 1136614629 /nfs/dbraw/zinc/61/46/29/1136614629.db2.gz PRXGACQXFYWCDV-WIYYLYMNSA-N 0 3 338.495 3.998 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCC1(O)CCC1 ZINC000815624197 1136620375 /nfs/dbraw/zinc/62/03/75/1136620375.db2.gz SBAPETSJNAFRDA-IBGZPJMESA-N 0 3 325.452 3.961 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000816521048 1136727321 /nfs/dbraw/zinc/72/73/21/1136727321.db2.gz FAGRGULXTVSXPN-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000816521048 1136727318 /nfs/dbraw/zinc/72/73/18/1136727318.db2.gz FAGRGULXTVSXPN-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000816521048 1136727324 /nfs/dbraw/zinc/72/73/24/1136727324.db2.gz FAGRGULXTVSXPN-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000816521048 1136727328 /nfs/dbraw/zinc/72/73/28/1136727328.db2.gz FAGRGULXTVSXPN-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN COC1([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000817419291 1136806938 /nfs/dbraw/zinc/80/69/38/1136806938.db2.gz FIGVTWQSLZVVAP-MRXNPFEDSA-N 0 3 341.451 3.733 20 10 EHCDHN COC1([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000817587827 1136826728 /nfs/dbraw/zinc/82/67/28/1136826728.db2.gz IVQYPRDTLKCWMS-OLZOCXBDSA-N 0 3 327.852 3.589 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1cnn(Cc2ccccc2)c1 ZINC000115629173 1136909407 /nfs/dbraw/zinc/90/94/07/1136909407.db2.gz PNADYFNGTCMLIC-UHFFFAOYSA-N 0 3 334.467 3.596 20 10 EHCDHN Cc1ccc([C@@H](O)[C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858163346 1136945587 /nfs/dbraw/zinc/94/55/87/1136945587.db2.gz DVXOMFOZDNLFQP-YJYMSZOUSA-N 0 3 334.410 3.551 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000858449188 1136968619 /nfs/dbraw/zinc/96/86/19/1136968619.db2.gz JOZCCHFHSIKRCY-SUZMYJTESA-N 0 3 343.324 3.669 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H]1CCCO1 ZINC000822739726 1137072631 /nfs/dbraw/zinc/07/26/31/1137072631.db2.gz HFJMZTGZJCRSRF-GJZGRUSLSA-N 0 3 344.282 3.957 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H]1CCCO1 ZINC000822739726 1137072633 /nfs/dbraw/zinc/07/26/33/1137072633.db2.gz HFJMZTGZJCRSRF-GJZGRUSLSA-N 0 3 344.282 3.957 20 10 EHCDHN Cc1ccc(O)c(CN2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000862482888 1137146180 /nfs/dbraw/zinc/14/61/80/1137146180.db2.gz YVUKPMFMSVCGOD-NRFANRHFSA-N 0 3 337.419 3.701 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000825144497 1137167216 /nfs/dbraw/zinc/16/72/16/1137167216.db2.gz OCRLTOMEMOPKQL-SFHVURJKSA-N 0 3 341.451 3.878 20 10 EHCDHN CCN(Cc1cc(Br)c(C)cn1)Cc1ccccc1O ZINC001143661866 1137187326 /nfs/dbraw/zinc/18/73/26/1137187326.db2.gz JAGAWYYXFWLBRF-UHFFFAOYSA-N 0 3 335.245 3.880 20 10 EHCDHN CC[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802387 1137252070 /nfs/dbraw/zinc/25/20/70/1137252070.db2.gz NPGXSAWITVOUBK-FQEVSTJZSA-N 0 3 338.495 3.841 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794372 1137252784 /nfs/dbraw/zinc/25/27/84/1137252784.db2.gz MTEZRFAKPOEYEF-ICSRJNTNSA-N 0 3 326.484 3.914 20 10 EHCDHN CC[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794808497 1137257432 /nfs/dbraw/zinc/25/74/32/1137257432.db2.gz ODTRSDTUTAEEFD-TZIWHRDSSA-N 0 3 325.452 3.965 20 10 EHCDHN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000794833382 1137273360 /nfs/dbraw/zinc/27/33/60/1137273360.db2.gz VKNOXUWNODLVHW-OLZOCXBDSA-N 0 3 343.309 3.844 20 10 EHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@](C)(O)c1ccccc1 ZINC000846186987 1137340419 /nfs/dbraw/zinc/34/04/19/1137340419.db2.gz IRWLQANLQIVHEQ-AFTNEDFKSA-N 0 3 329.415 3.965 20 10 EHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@](C)(O)c1ccccc1 ZINC000846186988 1137340538 /nfs/dbraw/zinc/34/05/38/1137340538.db2.gz IRWLQANLQIVHEQ-AWUHREGDSA-N 0 3 329.415 3.965 20 10 EHCDHN Cc1ccc(CNc2cccc(CN3CCSCC3)c2)c(O)c1 ZINC000876855333 1137663774 /nfs/dbraw/zinc/66/37/74/1137663774.db2.gz YHPBNXXQTSCNST-UHFFFAOYSA-N 0 3 328.481 3.862 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c([O-])c1 ZINC000877481063 1137677720 /nfs/dbraw/zinc/67/77/20/1137677720.db2.gz TXEYWQUBGGPPDJ-UHFFFAOYSA-N 0 3 325.452 3.518 20 10 EHCDHN C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1O ZINC000877757161 1137688340 /nfs/dbraw/zinc/68/83/40/1137688340.db2.gz KGVLIBSKTJMMAK-JTQLQIEISA-N 0 3 338.310 3.753 20 10 EHCDHN C[C@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1[O-] ZINC000877758232 1137688582 /nfs/dbraw/zinc/68/85/82/1137688582.db2.gz OLSYMDIZAOJEMG-VEBLATHCSA-N 0 3 336.435 3.876 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000879648464 1137753550 /nfs/dbraw/zinc/75/35/50/1137753550.db2.gz QIDUCRNNRYKNLA-FMKPAKJESA-N 0 3 344.480 3.857 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000879648943 1137753554 /nfs/dbraw/zinc/75/35/54/1137753554.db2.gz GTYWLTYBHNCCLL-GLJUWKHASA-N 0 3 342.414 3.544 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879649203 1137753601 /nfs/dbraw/zinc/75/36/01/1137753601.db2.gz NRVDERJPKFMZDH-JKIFEVAISA-N 0 3 349.858 3.835 20 10 EHCDHN COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[O-])cc1Cl ZINC000879649022 1137753711 /nfs/dbraw/zinc/75/37/11/1137753711.db2.gz HWQHRTFJUVCHBE-GFCCVEGCSA-N 0 3 348.830 3.734 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCSc2ccccc21 ZINC000879651251 1137753761 /nfs/dbraw/zinc/75/37/61/1137753761.db2.gz OPHGEDPXNVIZON-KBPBESRZSA-N 0 3 342.464 3.570 20 10 EHCDHN CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653077 1137753903 /nfs/dbraw/zinc/75/39/03/1137753903.db2.gz MHCAFCFHMPGDFL-BBRMVZONSA-N 0 3 344.480 3.640 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000883225212 1137849450 /nfs/dbraw/zinc/84/94/50/1137849450.db2.gz BMAUHJLSYVMXOY-NWDGAFQWSA-N 0 3 344.402 3.591 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1c(F)cccc1F ZINC000883288800 1137852845 /nfs/dbraw/zinc/85/28/45/1137852845.db2.gz RSUVVGMKJAQUFO-OAHLLOKOSA-N 0 3 345.437 3.567 20 10 EHCDHN COc1ccc(N2CCC(NCc3ccc(C)nc3Cl)CC2)cc1 ZINC000883293342 1137853374 /nfs/dbraw/zinc/85/33/74/1137853374.db2.gz PXKQEPFGEBXSLY-UHFFFAOYSA-N 0 3 345.874 3.811 20 10 EHCDHN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000883319733 1137854606 /nfs/dbraw/zinc/85/46/06/1137854606.db2.gz NINFSOYQLPOADX-GMXVVIOVSA-N 0 3 328.250 3.539 20 10 EHCDHN CCc1nc(C)c([C@H](C)N(C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093612609 1138239283 /nfs/dbraw/zinc/23/92/83/1138239283.db2.gz CJLDEKDYKIGJEM-NSHDSACASA-N 0 3 334.441 3.641 20 10 EHCDHN C[C@@H](N[C@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000152245518 1139080424 /nfs/dbraw/zinc/08/04/24/1139080424.db2.gz BSGWBGNZJCWZOF-KDOFPFPSSA-N 0 3 344.430 3.984 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000177825040 1139644600 /nfs/dbraw/zinc/64/46/00/1139644600.db2.gz HNPPEHVGHDEHEP-HUUCEWRRSA-N 0 3 346.496 3.568 20 10 EHCDHN C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccccc1[O-] ZINC000183443740 1140038877 /nfs/dbraw/zinc/03/88/77/1140038877.db2.gz IYIHIGXVWOZSOE-OAHLLOKOSA-N 0 3 329.415 3.930 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000183451777 1140039304 /nfs/dbraw/zinc/03/93/04/1140039304.db2.gz MUMXIGXMSMREPL-KBPBESRZSA-N 0 3 326.396 3.761 20 10 EHCDHN C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1[O-] ZINC000184092938 1140079310 /nfs/dbraw/zinc/07/93/10/1140079310.db2.gz DWLVKMHQAORQOT-ZDUSSCGKSA-N 0 3 341.386 3.865 20 10 EHCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccc(C)cc3[O-])cn2)n1 ZINC000185058086 1140134676 /nfs/dbraw/zinc/13/46/76/1140134676.db2.gz QSBSQSCBMKOUNT-MRXNPFEDSA-N 0 3 336.439 3.749 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccccc1[O-] ZINC000155084218 1016122092 /nfs/dbraw/zinc/12/20/92/1016122092.db2.gz XBSSIFUGCYMRGW-LJQANCHMSA-N 0 3 338.451 3.756 20 10 EHCDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183533932 1032178769 /nfs/dbraw/zinc/17/87/69/1032178769.db2.gz OLURQTIGKWTVSW-WZYMTQMTSA-N 0 3 346.471 3.973 20 10 EHCDHN CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000163804078 1018470803 /nfs/dbraw/zinc/47/08/03/1018470803.db2.gz KICHGEYELXLDML-DNVCBOLYSA-N 0 3 343.446 3.859 20 10 EHCDHN COc1cc(C)cc(CNCc2ccc(OC3CCCC3)nc2)c1O ZINC000894190493 1019108844 /nfs/dbraw/zinc/10/88/44/1019108844.db2.gz QEWYSMHKUOVPPY-UHFFFAOYSA-N 0 3 342.439 3.715 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCSC2)c1[O-] ZINC000280196086 1020161341 /nfs/dbraw/zinc/16/13/41/1020161341.db2.gz VCUWOUUAOHIPLK-MNOVXSKESA-N 0 3 330.291 3.867 20 10 EHCDHN CC[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(C)cc1[O-] ZINC000280203520 1020197893 /nfs/dbraw/zinc/19/78/93/1020197893.db2.gz SWJARWRWEIHHFN-HNNXBMFYSA-N 0 3 332.469 3.623 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccnn1CC1CCC1 ZINC000925080589 1023004491 /nfs/dbraw/zinc/00/44/91/1023004491.db2.gz MOLZPMUSLJWPEY-INIZCTEOSA-N 0 3 326.488 3.908 20 10 EHCDHN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000093049338 1023446528 /nfs/dbraw/zinc/44/65/28/1023446528.db2.gz XWZDWORTWHGWOH-UHFFFAOYSA-N 0 3 334.460 3.664 20 10 EHCDHN COc1ccc(CN2CCC(CC(F)(F)F)CC2)c(O)c1OC ZINC000894301955 1024437023 /nfs/dbraw/zinc/43/70/23/1024437023.db2.gz QEYGNZQNFJRIGN-UHFFFAOYSA-N 0 3 333.350 3.574 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000158558298 1026121582 /nfs/dbraw/zinc/12/15/82/1026121582.db2.gz XNQFZHRFILLWOY-QAPCUYQASA-N 0 3 347.480 3.604 20 10 EHCDHN CC(C)c1nc([C@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000273494814 1027457761 /nfs/dbraw/zinc/45/77/61/1027457761.db2.gz OZCFWYVZSIMGLT-OLZOCXBDSA-N 0 3 328.460 3.924 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1[O-] ZINC000273755916 1027601223 /nfs/dbraw/zinc/60/12/23/1027601223.db2.gz OHINWKYJGFTWQG-DZGCQCFKSA-N 0 3 327.852 3.738 20 10 EHCDHN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(N(C)C)cc1 ZINC000162406390 1028740688 /nfs/dbraw/zinc/74/06/88/1028740688.db2.gz IJECCUISPJHOTO-KRWDZBQOSA-N 0 3 338.499 3.989 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1[O-] ZINC000527990019 1031549247 /nfs/dbraw/zinc/54/92/47/1031549247.db2.gz JHPDBKJDGYENIW-IAQYHMDHSA-N 0 3 348.805 3.641 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000180694095 1031899276 /nfs/dbraw/zinc/89/92/76/1031899276.db2.gz LRHLDQBMMTUQFS-UHFFFAOYSA-N 0 3 330.334 3.658 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310081871 1034255421 /nfs/dbraw/zinc/25/54/21/1034255421.db2.gz YJFDUPFCWVMGGO-GOEBONIOSA-N 0 3 334.460 3.832 20 10 EHCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000152389283 1036519327 /nfs/dbraw/zinc/51/93/27/1036519327.db2.gz UGCWVVBNNPGXDJ-JOCHJYFZSA-N 0 3 349.430 3.794 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927017105 1038677403 /nfs/dbraw/zinc/67/74/03/1038677403.db2.gz VTBLMBWGXUXUCV-ZFWWWQNUSA-N 0 3 339.863 3.733 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)c(O)c1OC ZINC000893634093 1043098631 /nfs/dbraw/zinc/09/86/31/1043098631.db2.gz SUXBTQBESSRUJA-LBPRGKRZSA-N 0 3 347.459 3.520 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)c([O-])c1 ZINC000185174334 1126803289 /nfs/dbraw/zinc/80/32/89/1126803289.db2.gz BTXFTMVPYUGKJT-LSDHHAIUSA-N 0 3 330.497 3.860 20 10 EHCDHN CCN1CCN(c2ccccc2N[C@H](C)c2cc(F)ccc2O)CC1 ZINC000186361600 1128403551 /nfs/dbraw/zinc/40/35/51/1128403551.db2.gz XRDJGSNRWOPMHE-OAHLLOKOSA-N 0 3 343.446 3.846 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cnc3ccccn23)cc1F ZINC000109016071 1120015256 /nfs/dbraw/zinc/01/52/56/1120015256.db2.gz DVZHLHPKGDPSRO-UHFFFAOYSA-N 0 3 326.419 3.609 20 10 EHCDHN CCc1cc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000762182058 1121158209 /nfs/dbraw/zinc/15/82/09/1121158209.db2.gz BAKVWDDNFQYNSX-KRWDZBQOSA-N 0 3 345.405 3.751 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCS[C@@H](C)C2)c1[O-] ZINC000922840828 1129685155 /nfs/dbraw/zinc/68/51/55/1129685155.db2.gz BCIJIVMAYOQLIG-CABZTGNLSA-N 0 3 346.290 3.537 20 10 EHCDHN CCCN(CC(=O)N[C@@H](C)c1cccs1)Cc1ccccc1O ZINC000727831408 1130597554 /nfs/dbraw/zinc/59/75/54/1130597554.db2.gz ZOZGHXXSPPACJR-AWEZNQCLSA-N 0 3 332.469 3.543 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CCCC1 ZINC000732204317 1130900078 /nfs/dbraw/zinc/90/00/78/1130900078.db2.gz IMSBCSRZVVOCJZ-LJQANCHMSA-N 0 3 341.451 3.577 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1)C1CCCC1 ZINC000732204317 1130900081 /nfs/dbraw/zinc/90/00/81/1130900081.db2.gz IMSBCSRZVVOCJZ-LJQANCHMSA-N 0 3 341.451 3.577 20 10 EHCDHN C[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613350 1131061664 /nfs/dbraw/zinc/06/16/64/1131061664.db2.gz OGIIOXUWWUTPGN-MRXNPFEDSA-N 0 3 330.472 3.538 20 10 EHCDHN C[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613350 1131061669 /nfs/dbraw/zinc/06/16/69/1131061669.db2.gz OGIIOXUWWUTPGN-MRXNPFEDSA-N 0 3 330.472 3.538 20 10 EHCDHN Cc1cc(C)c(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c([O-])c1 ZINC001172904275 1131885948 /nfs/dbraw/zinc/88/59/48/1131885948.db2.gz WHBVCANWPGXYSR-KRWDZBQOSA-N 0 3 340.423 3.954 20 10 EHCDHN Cc1cnccc1Nc1ccc(OCCOc2ccc(N)cc2)cc1 ZINC001174539530 1132389063 /nfs/dbraw/zinc/38/90/63/1132389063.db2.gz KLYKPHNJWBZKPC-UHFFFAOYSA-N 0 3 335.407 3.596 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCC(=O)N(C)C2CCCCC2)cc1 ZINC000766436568 1132545040 /nfs/dbraw/zinc/54/50/40/1132545040.db2.gz IIRHXIBKEJLAPD-INIZCTEOSA-N 0 3 331.504 3.584 20 10 EHCDHN CCc1nn(C)c(CC)c1CN(CC)Cc1ccc(N(C)C)cc1 ZINC000768131876 1133099413 /nfs/dbraw/zinc/09/94/13/1133099413.db2.gz AWYKCJIJJLVMAG-UHFFFAOYSA-N 0 3 328.504 3.633 20 10 EHCDHN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000768196763 1133111623 /nfs/dbraw/zinc/11/16/23/1133111623.db2.gz FUGDEJASDQKGJL-DLBZAZTESA-N 0 3 325.456 3.638 20 10 EHCDHN Oc1cc2c(cc1CN1CCCC[C@H]1c1ccc(F)cc1)[C@@H](O)CO2 ZINC000768464473 1133144341 /nfs/dbraw/zinc/14/43/41/1133144341.db2.gz SLGWDOZIJHTSDK-HKUYNNGSSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)[C@@H](O)CO2 ZINC000768464473 1133144344 /nfs/dbraw/zinc/14/43/44/1133144344.db2.gz SLGWDOZIJHTSDK-HKUYNNGSSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1c1ccc(F)cc1)[C@@H](O)CO2 ZINC000768464473 1133144348 /nfs/dbraw/zinc/14/43/48/1133144348.db2.gz SLGWDOZIJHTSDK-HKUYNNGSSA-N 0 3 343.398 3.684 20 10 EHCDHN COc1cc(O)c(CN2Cc3ccccc3C(C)(C)C2)cc1OC ZINC000768466032 1133144732 /nfs/dbraw/zinc/14/47/32/1133144732.db2.gz VSEOMPSPEAXHCF-UHFFFAOYSA-N 0 3 327.424 3.703 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)c([O-])c1 ZINC000768542470 1133153663 /nfs/dbraw/zinc/15/36/63/1133153663.db2.gz VXEUXXVSVKQBBF-KRWDZBQOSA-N 0 3 331.412 3.867 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(COC)o2)c([O-])c1 ZINC000768542470 1133153666 /nfs/dbraw/zinc/15/36/66/1133153666.db2.gz VXEUXXVSVKQBBF-KRWDZBQOSA-N 0 3 331.412 3.867 20 10 EHCDHN CCOc1ccc(CN2CCC[C@H]2c2ccc(COC)o2)c(O)c1 ZINC000768542470 1133153669 /nfs/dbraw/zinc/15/36/69/1133153669.db2.gz VXEUXXVSVKQBBF-KRWDZBQOSA-N 0 3 331.412 3.867 20 10 EHCDHN COc1cccc(O)c1CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000768904055 1133199251 /nfs/dbraw/zinc/19/92/51/1133199251.db2.gz SFHORBOQWCBQMJ-UHFFFAOYSA-N 0 3 349.377 3.722 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000768904055 1133199253 /nfs/dbraw/zinc/19/92/53/1133199253.db2.gz SFHORBOQWCBQMJ-UHFFFAOYSA-N 0 3 349.377 3.722 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c([O-])c1 ZINC000769188850 1133242373 /nfs/dbraw/zinc/24/23/73/1133242373.db2.gz KOXQJRBQIPXOPX-UHFFFAOYSA-N 0 3 345.414 3.973 20 10 EHCDHN O=[N+]([O-])c1cc(CN2CCC3(CCC3)C2)ccc1N1CCCCC1 ZINC000769445896 1133291562 /nfs/dbraw/zinc/29/15/62/1133291562.db2.gz HOZFPLLLINDTFW-UHFFFAOYSA-N 0 3 329.444 3.961 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000769459322 1133295433 /nfs/dbraw/zinc/29/54/33/1133295433.db2.gz CSQLKQBBEGOAOP-SFHVURJKSA-N 0 3 326.440 3.804 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000769459322 1133295438 /nfs/dbraw/zinc/29/54/38/1133295438.db2.gz CSQLKQBBEGOAOP-SFHVURJKSA-N 0 3 326.440 3.804 20 10 EHCDHN CCCOc1ccc2c(c1)CCN(Cc1cccc(OC)c1O)C2 ZINC000770278659 1133403755 /nfs/dbraw/zinc/40/37/55/1133403755.db2.gz BPXIQGJZYVLUSQ-UHFFFAOYSA-N 0 3 327.424 3.748 20 10 EHCDHN CCN(CC)c1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1F ZINC000770328866 1133412659 /nfs/dbraw/zinc/41/26/59/1133412659.db2.gz XODIWMHFTUTOMV-JXFKEZNVSA-N 0 3 344.478 3.952 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c([O-])c1 ZINC000771875539 1133604249 /nfs/dbraw/zinc/60/42/49/1133604249.db2.gz WACWGVUJCCZOBB-YLJYHZDGSA-N 0 3 327.424 3.658 20 10 EHCDHN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774482461 1133687599 /nfs/dbraw/zinc/68/75/99/1133687599.db2.gz LFJSCYUZVCYLBA-CABCVRRESA-N 0 3 343.446 3.878 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c([O-])c1 ZINC000788538402 1134139814 /nfs/dbraw/zinc/13/98/14/1134139814.db2.gz MDJUIUCRDBHORW-WOJBJXKFSA-N 0 3 329.440 3.639 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)c2c1 ZINC000789504267 1134286883 /nfs/dbraw/zinc/28/68/83/1134286883.db2.gz JAVLNDDLESOWJB-AZUAARDMSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)c2c1 ZINC000789504267 1134286887 /nfs/dbraw/zinc/28/68/87/1134286887.db2.gz JAVLNDDLESOWJB-AZUAARDMSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)c2c1 ZINC000789504269 1134287424 /nfs/dbraw/zinc/28/74/24/1134287424.db2.gz JAVLNDDLESOWJB-ICSRJNTNSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)c2c1 ZINC000789504269 1134287430 /nfs/dbraw/zinc/28/74/30/1134287430.db2.gz JAVLNDDLESOWJB-ICSRJNTNSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CCOCC4)CC3)c2c1 ZINC000789531945 1134291997 /nfs/dbraw/zinc/29/19/97/1134291997.db2.gz SBEAVGCLCFQLMC-UHFFFAOYSA-N 0 3 341.451 3.947 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000775138282 1134369175 /nfs/dbraw/zinc/36/91/75/1134369175.db2.gz NVMOMVWLGSRYNP-WBVHZDCISA-N 0 3 344.421 3.668 20 10 EHCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000790961881 1134485948 /nfs/dbraw/zinc/48/59/48/1134485948.db2.gz CDWLBRNXWKGVDK-UHFFFAOYSA-N 0 3 340.870 3.929 20 10 EHCDHN COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170304952 1134739940 /nfs/dbraw/zinc/73/99/40/1134739940.db2.gz IKBAWOWEGXFDRR-STQMWFEESA-N 0 3 330.384 3.591 20 10 EHCDHN CC[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000775491122 1134937006 /nfs/dbraw/zinc/93/70/06/1134937006.db2.gz YNIMIGKGNGWKSR-ROUUACIJSA-N 0 3 326.440 3.653 20 10 EHCDHN Cc1cc(Br)cc(CN2CC[C@H](OCC(C)C)C2)c1O ZINC000775737071 1135593630 /nfs/dbraw/zinc/59/36/30/1135593630.db2.gz AHRQLYJCHBJEIQ-HNNXBMFYSA-N 0 3 342.277 3.710 20 10 EHCDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc2c(c1)CCCN2C ZINC000808684281 1135710956 /nfs/dbraw/zinc/71/09/56/1135710956.db2.gz CFQRBHFQDMKZGI-GOSISDBHSA-N 0 3 340.442 3.994 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000808685689 1135711686 /nfs/dbraw/zinc/71/16/86/1135711686.db2.gz KGLNKDWGDIBBMW-JQWIXIFHSA-N 0 3 336.785 3.641 20 10 EHCDHN COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808674188 1135713881 /nfs/dbraw/zinc/71/38/81/1135713881.db2.gz OHFILVNSIDTMQO-SJKOYZFVSA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000808710067 1135718586 /nfs/dbraw/zinc/71/85/86/1135718586.db2.gz LKGQKVXFXUYRMP-TZMCWYRMSA-N 0 3 325.836 3.690 20 10 EHCDHN CN(C)Cc1cnc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000809574583 1135852983 /nfs/dbraw/zinc/85/29/83/1135852983.db2.gz QFNKFVBSFJOYGZ-UHFFFAOYSA-N 0 3 345.512 3.855 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758076 1135887508 /nfs/dbraw/zinc/88/75/08/1135887508.db2.gz BSOIEZPSDBGUPZ-KBPBESRZSA-N 0 3 339.863 3.693 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758076 1135887509 /nfs/dbraw/zinc/88/75/09/1135887509.db2.gz BSOIEZPSDBGUPZ-KBPBESRZSA-N 0 3 339.863 3.693 20 10 EHCDHN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000776012572 1135919655 /nfs/dbraw/zinc/91/96/55/1135919655.db2.gz HQUDLTAWDZENQT-WMLDXEAASA-N 0 3 342.405 3.686 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](C)c2ccncc2)c1[O-] ZINC000776222964 1136070967 /nfs/dbraw/zinc/07/09/67/1136070967.db2.gz XPCLXFMRFTWNQC-GFCCVEGCSA-N 0 3 335.245 3.751 20 10 EHCDHN CC(C)(CO)[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000811519553 1136098224 /nfs/dbraw/zinc/09/82/24/1136098224.db2.gz YKNRYVCXSAIKCN-FQEVSTJZSA-N 0 3 325.452 3.946 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)c([O-])c1 ZINC000776256614 1136112567 /nfs/dbraw/zinc/11/25/67/1136112567.db2.gz CXCVLIZEVCOLQT-UHFFFAOYSA-N 0 3 343.423 3.646 20 10 EHCDHN COc1cc(CN[C@@H]2C[C@H](O)c3ccccc32)c(O)c(C(C)(C)C)c1 ZINC000850375503 1136244983 /nfs/dbraw/zinc/24/49/83/1136244983.db2.gz RBQYMMUFVCNESA-MOPGFXCFSA-N 0 3 341.451 3.966 20 10 EHCDHN COc1cc(CNCc2c(C3CC3)cnn2C)c(O)c(C(C)(C)C)c1 ZINC000850379458 1136245977 /nfs/dbraw/zinc/24/59/77/1136245977.db2.gz PJAUFHXGKMKTNS-UHFFFAOYSA-N 0 3 343.471 3.599 20 10 EHCDHN CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](C)OC ZINC000812806954 1136254203 /nfs/dbraw/zinc/25/42/03/1136254203.db2.gz ASFGUABXSYNYHV-MRXNPFEDSA-N 0 3 329.440 3.828 20 10 EHCDHN CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](C)OC ZINC000812806954 1136254206 /nfs/dbraw/zinc/25/42/06/1136254206.db2.gz ASFGUABXSYNYHV-MRXNPFEDSA-N 0 3 329.440 3.828 20 10 EHCDHN COc1ccccc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850565150 1136287039 /nfs/dbraw/zinc/28/70/39/1136287039.db2.gz BMMXTZFVWUYBBC-MRXNPFEDSA-N 0 3 340.467 3.507 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccccc1[O-] ZINC000850574708 1136290317 /nfs/dbraw/zinc/29/03/17/1136290317.db2.gz ITANAGGYIVFZBH-SFHVURJKSA-N 0 3 339.439 3.553 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000850580295 1136292401 /nfs/dbraw/zinc/29/24/01/1136292401.db2.gz JYHATWINWVBBAF-WBVHZDCISA-N 0 3 339.357 3.892 20 10 EHCDHN COC[C@@H](C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000851880078 1136415136 /nfs/dbraw/zinc/41/51/36/1136415136.db2.gz SVUAQRJGZMHTKP-QFBILLFUSA-N 0 3 329.440 3.617 20 10 EHCDHN COC[C@@H](C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000851880078 1136415138 /nfs/dbraw/zinc/41/51/38/1136415138.db2.gz SVUAQRJGZMHTKP-QFBILLFUSA-N 0 3 329.440 3.617 20 10 EHCDHN CCC[N@H+](Cc1ccnc(Br)c1)Cc1ccccc1[O-] ZINC000815055386 1136541120 /nfs/dbraw/zinc/54/11/20/1136541120.db2.gz YVRBVCSEBQLQJH-UHFFFAOYSA-N 0 3 335.245 3.962 20 10 EHCDHN CCC[N@@H+](Cc1ccnc(Br)c1)Cc1ccccc1[O-] ZINC000815055386 1136541123 /nfs/dbraw/zinc/54/11/23/1136541123.db2.gz YVRBVCSEBQLQJH-UHFFFAOYSA-N 0 3 335.245 3.962 20 10 EHCDHN COC(=O)[C@H](C)[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815073248 1136547167 /nfs/dbraw/zinc/54/71/67/1136547167.db2.gz YVQRDDFAETUANL-UZLBHIALSA-N 0 3 340.467 3.701 20 10 EHCDHN CCCNC(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815563206 1136611286 /nfs/dbraw/zinc/61/12/86/1136611286.db2.gz WGBFTUCOJCCICB-LJQANCHMSA-N 0 3 340.467 3.572 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000818342383 1136873016 /nfs/dbraw/zinc/87/30/16/1136873016.db2.gz QAHJWQCAQOBVLR-IRXDYDNUSA-N 0 3 340.467 3.886 20 10 EHCDHN Cc1cc(CCNCc2ncc(Cl)n2C)c(C)n1-c1ccccc1 ZINC000857761152 1136906151 /nfs/dbraw/zinc/90/61/51/1136906151.db2.gz AQRNBWZLKKXRNA-UHFFFAOYSA-N 0 3 342.874 3.813 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011173 1136929951 /nfs/dbraw/zinc/92/99/51/1136929951.db2.gz RFLYBFXUUPFWQP-GOSISDBHSA-N 0 3 342.414 3.847 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011173 1136929954 /nfs/dbraw/zinc/92/99/54/1136929954.db2.gz RFLYBFXUUPFWQP-GOSISDBHSA-N 0 3 342.414 3.847 20 10 EHCDHN Cc1cc(CN[C@H]2CCCc3nn(C)cc32)c(C)n1-c1ccccc1 ZINC000858543118 1136977426 /nfs/dbraw/zinc/97/74/26/1136977426.db2.gz QETKSLSRZBJZGV-FQEVSTJZSA-N 0 3 334.467 3.995 20 10 EHCDHN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CCN(C)CC1 ZINC000861893218 1137124000 /nfs/dbraw/zinc/12/40/00/1137124000.db2.gz IDXILMRTCPFYFQ-UHFFFAOYSA-N 0 3 339.483 3.650 20 10 EHCDHN COc1ccc(O)c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000013993990 1137133928 /nfs/dbraw/zinc/13/39/28/1137133928.db2.gz DMQJZHQLMGQPSG-LJQANCHMSA-N 0 3 345.414 3.721 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000824673703 1137147657 /nfs/dbraw/zinc/14/76/57/1137147657.db2.gz WITPTDUVKQURJK-OAHLLOKOSA-N 0 3 343.320 3.763 20 10 EHCDHN CS[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000824683379 1137148257 /nfs/dbraw/zinc/14/82/57/1137148257.db2.gz GPXRBYXPBOKOEI-OAHLLOKOSA-N 0 3 335.473 3.522 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)c2c1 ZINC000794647085 1137220539 /nfs/dbraw/zinc/22/05/39/1137220539.db2.gz KMPLKRATGSDYNA-ZUOKHONESA-N 0 3 327.424 3.553 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)c2c1 ZINC000794647085 1137220541 /nfs/dbraw/zinc/22/05/41/1137220541.db2.gz KMPLKRATGSDYNA-ZUOKHONESA-N 0 3 327.424 3.553 20 10 EHCDHN CC[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(C)cc1[O-] ZINC000794793567 1137252323 /nfs/dbraw/zinc/25/23/23/1137252323.db2.gz JMZFQIMEKCRZSG-IBGZPJMESA-N 0 3 346.515 3.776 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794812975 1137262362 /nfs/dbraw/zinc/26/23/62/1137262362.db2.gz ADSPRPDNBOIQJU-ZBFHGGJFSA-N 0 3 336.476 3.902 20 10 EHCDHN C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)NC(=O)OC(C)(C)C ZINC000794825899 1137270230 /nfs/dbraw/zinc/27/02/30/1137270230.db2.gz QLKWBHFPARVLER-WZRBSPASSA-N 0 3 338.423 3.582 20 10 EHCDHN Cc1ccc(O)c(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000865657629 1137302487 /nfs/dbraw/zinc/30/24/87/1137302487.db2.gz ZLXBIYDNKQEJKU-HNNXBMFYSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1C(C)C ZINC000794903630 1137332779 /nfs/dbraw/zinc/33/27/79/1137332779.db2.gz VCXPGKDLHAEYIU-JXFKEZNVSA-N 0 3 333.472 3.594 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846116451 1137333674 /nfs/dbraw/zinc/33/36/74/1137333674.db2.gz HUUXNTJYQBQBHZ-CYBMUJFWSA-N 0 3 332.188 3.694 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846116451 1137333676 /nfs/dbraw/zinc/33/36/76/1137333676.db2.gz HUUXNTJYQBQBHZ-CYBMUJFWSA-N 0 3 332.188 3.694 20 10 EHCDHN Cc1cc(Br)cc(CN2CC[C@@]3(CC3(F)F)C2)c1O ZINC000846116451 1137333678 /nfs/dbraw/zinc/33/36/78/1137333678.db2.gz HUUXNTJYQBQBHZ-CYBMUJFWSA-N 0 3 332.188 3.694 20 10 EHCDHN COc1cccc2c1OCCC[C@H]2NCc1ccc(N(C)C)cc1 ZINC000866217790 1137335706 /nfs/dbraw/zinc/33/57/06/1137335706.db2.gz HKZHMAQDOANNRG-GOSISDBHSA-N 0 3 326.440 3.765 20 10 EHCDHN COc1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)c(C)c1 ZINC001144721626 1137338730 /nfs/dbraw/zinc/33/87/30/1137338730.db2.gz WCAYZYZOPUFVLA-UHFFFAOYSA-N 0 3 335.451 3.807 20 10 EHCDHN COc1ccc([C@H]2CCCN2Cc2cccc(OC)c2O)c(OC)c1 ZINC000121010031 1137346179 /nfs/dbraw/zinc/34/61/79/1137346179.db2.gz ZXZRWBROMUEULG-QGZVFWFLSA-N 0 3 343.423 3.755 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCOC3)c2c1c(F)ccc2[O-] ZINC000866478562 1137358103 /nfs/dbraw/zinc/35/81/03/1137358103.db2.gz IYTRLWGTTYKYMB-SJKOYZFVSA-N 0 3 327.399 3.942 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3ncccc23)c2c1c(F)ccc2[O-] ZINC000866573963 1137366164 /nfs/dbraw/zinc/36/61/64/1137366164.db2.gz PVUOFXUWBLMJJQ-WBMJQRKESA-N 0 3 339.414 3.799 20 10 EHCDHN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000773104878 1137465603 /nfs/dbraw/zinc/46/56/03/1137465603.db2.gz GPXOCEZABCQDLC-UKRRQHHQSA-N 0 3 330.394 3.641 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715092066 1137475619 /nfs/dbraw/zinc/47/56/19/1137475619.db2.gz CPIIXLRRJYBVLC-DZKIICNBSA-N 0 3 334.460 3.736 20 10 EHCDHN COc1ccc(CNCc2cscc2C)cc1Cn1cccn1 ZINC000873114973 1137590411 /nfs/dbraw/zinc/59/04/11/1137590411.db2.gz COAXCVWKORXDQR-UHFFFAOYSA-N 0 3 327.453 3.600 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000873173016 1137592239 /nfs/dbraw/zinc/59/22/39/1137592239.db2.gz LHMFXXCGJPLYEK-UHFFFAOYSA-N 0 3 325.412 3.669 20 10 EHCDHN Cc1cccc(O)c1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000876531273 1137654634 /nfs/dbraw/zinc/65/46/34/1137654634.db2.gz AWENODLQWSMJBQ-KRWDZBQOSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1cccc(O)c1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000876531273 1137654635 /nfs/dbraw/zinc/65/46/35/1137654635.db2.gz AWENODLQWSMJBQ-KRWDZBQOSA-N 0 3 327.424 3.587 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CC1(F)F ZINC000877033656 1137668244 /nfs/dbraw/zinc/66/82/44/1137668244.db2.gz JOKFANMCCSEXSO-CQDKDKBSSA-N 0 3 344.833 3.643 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877458644 1137677015 /nfs/dbraw/zinc/67/70/15/1137677015.db2.gz BALGFTRWLSEDOW-INIZCTEOSA-N 0 3 334.460 3.580 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000877547183 1137680794 /nfs/dbraw/zinc/68/07/94/1137680794.db2.gz YQARTVDOTRHMMV-KRWDZBQOSA-N 0 3 346.471 3.580 20 10 EHCDHN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c(OC)c1 ZINC000126661138 1137686204 /nfs/dbraw/zinc/68/62/04/1137686204.db2.gz CKPVEWTVFPAWJJ-OAHLLOKOSA-N 0 3 340.467 3.937 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000879648945 1137753657 /nfs/dbraw/zinc/75/36/57/1137753657.db2.gz GTYWLTYBHNCCLL-HBUWYVDXSA-N 0 3 342.414 3.544 20 10 EHCDHN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648952 1137753679 /nfs/dbraw/zinc/75/36/79/1137753679.db2.gz HEBMMSVLQLYBGH-XHSDSOJGSA-N 0 3 326.440 3.617 20 10 EHCDHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651173 1137753782 /nfs/dbraw/zinc/75/37/82/1137753782.db2.gz LLCUGCZTTOYIBS-UONOGXRCSA-N 0 3 346.858 3.916 20 10 EHCDHN CCN(C(=O)C[NH2+][C@@H](C)c1ccccc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000879651413 1137753835 /nfs/dbraw/zinc/75/38/35/1137753835.db2.gz UOOTVXJEQRLPAF-LSDHHAIUSA-N 0 3 344.430 3.792 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879651874 1137754016 /nfs/dbraw/zinc/75/40/16/1137754016.db2.gz NRVDERJPKFMZDH-ZQIUZPCESA-N 0 3 349.858 3.835 20 10 EHCDHN Fc1cccc2c1CC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000886364069 1138070813 /nfs/dbraw/zinc/07/08/13/1138070813.db2.gz NVDRLMXGMMFFJY-LJQANCHMSA-N 0 3 344.405 3.579 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(c3nc(C)no3)CC2)cc1 ZINC000091837068 1138222121 /nfs/dbraw/zinc/22/21/21/1138222121.db2.gz QHJDFYRNSZXCTG-UHFFFAOYSA-N 0 3 328.460 3.604 20 10 EHCDHN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185051519 1140133674 /nfs/dbraw/zinc/13/36/74/1140133674.db2.gz FKJOUTKGIXWANL-ZIAGYGMSSA-N 0 3 344.430 3.910 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c([O-])c1 ZINC000185151344 1140138240 /nfs/dbraw/zinc/13/82/40/1140138240.db2.gz WFICKJOXPIZBOV-GFCCVEGCSA-N 0 3 333.815 3.976 20 10 EHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000185451177 1140150301 /nfs/dbraw/zinc/15/03/01/1140150301.db2.gz GNCCAYSTBJQBSL-NWDGAFQWSA-N 0 3 349.402 3.969 20 10 EHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000185451161 1140150795 /nfs/dbraw/zinc/15/07/95/1140150795.db2.gz GNCCAYSTBJQBSL-RYUDHWBXSA-N 0 3 349.402 3.969 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c([O-])c1 ZINC000186337617 1140199093 /nfs/dbraw/zinc/19/90/93/1140199093.db2.gz KKQYVQDHBZSSOQ-FVWXCPNNSA-N 0 3 326.440 3.577 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439855 1140280887 /nfs/dbraw/zinc/28/08/87/1140280887.db2.gz PICCXRSJYSXQHC-GOSISDBHSA-N 0 3 335.806 3.587 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439855 1140280890 /nfs/dbraw/zinc/28/08/90/1140280890.db2.gz PICCXRSJYSXQHC-GOSISDBHSA-N 0 3 335.806 3.587 20 10 EHCDHN C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000269109540 1141066489 /nfs/dbraw/zinc/06/64/89/1141066489.db2.gz VPEUIVSHKPYALK-USCONSEESA-N 0 3 336.479 3.986 20 10 EHCDHN COc1cc(Cl)cc(CN2CCC(OC(C)(C)C)CC2)c1O ZINC000273811597 1141424599 /nfs/dbraw/zinc/42/45/99/1141424599.db2.gz YXPAUOAUTPVKOT-UHFFFAOYSA-N 0 3 327.852 3.834 20 10 EHCDHN CCOc1cccc(CNCc2ccc(Br)cc2)c1O ZINC000042352282 521367468 /nfs/dbraw/zinc/36/74/68/521367468.db2.gz FBDTXBMKLVTVCT-UHFFFAOYSA-N 0 3 336.229 3.843 20 10 EHCDHN CCOc1cccc(C[NH2+]Cc2ccc(Br)cc2)c1[O-] ZINC000042352282 521367474 /nfs/dbraw/zinc/36/74/74/521367474.db2.gz FBDTXBMKLVTVCT-UHFFFAOYSA-N 0 3 336.229 3.843 20 10 EHCDHN CC(C)c1ccc(O)c(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001574417032 948763465 /nfs/dbraw/zinc/76/34/65/948763465.db2.gz JSQAFTBGHYIFSY-CYBMUJFWSA-N 0 3 337.427 3.547 20 10 EHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nccc1-c1ccncc1 ZINC000729265054 1019256595 /nfs/dbraw/zinc/25/65/95/1019256595.db2.gz QWPDMJFUAUVSFU-UHFFFAOYSA-N 0 3 349.482 3.879 20 10 EHCDHN CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000280088234 1020048963 /nfs/dbraw/zinc/04/89/63/1020048963.db2.gz MDOGHWYQDSHLLY-IBGZPJMESA-N 0 3 326.440 3.942 20 10 EHCDHN CC[C@@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000280090225 1020052134 /nfs/dbraw/zinc/05/21/34/1020052134.db2.gz MKAIHSDNRKUAFN-LJQANCHMSA-N 0 3 342.439 3.779 20 10 EHCDHN CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000834905705 1021105106 /nfs/dbraw/zinc/10/51/06/1021105106.db2.gz VQPNZOOSNXJYOV-MMPTUQATSA-N 0 3 342.277 3.927 20 10 EHCDHN COc1ccc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000392111640 1025611754 /nfs/dbraw/zinc/61/17/54/1025611754.db2.gz AJJUPHAJYUGJCY-QWHCGFSZSA-N 0 3 331.412 3.830 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000158557987 1026122108 /nfs/dbraw/zinc/12/21/08/1026122108.db2.gz XNQFZHRFILLWOY-YJBOKZPZSA-N 0 3 347.480 3.604 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1[O-] ZINC000273755921 1027601349 /nfs/dbraw/zinc/60/13/49/1027601349.db2.gz OHINWKYJGFTWQG-UKRRQHHQSA-N 0 3 327.852 3.738 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNC(C)(C)C(=O)Nc1ccccc1 ZINC000840933400 1027823613 /nfs/dbraw/zinc/82/36/13/1027823613.db2.gz DYMBPLSWEOXATI-UHFFFAOYSA-N 0 3 325.456 3.568 20 10 EHCDHN COc1cccc(CNCc2cc(C)ccc2Br)c1O ZINC000840962409 1028098972 /nfs/dbraw/zinc/09/89/72/1028098972.db2.gz BCTMEUBVVIODMW-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC000278528840 1029082394 /nfs/dbraw/zinc/08/23/94/1029082394.db2.gz TYCAARYPMRTSSU-QLFBSQMISA-N 0 3 334.460 3.831 20 10 EHCDHN COc1ccc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000067690647 1029183357 /nfs/dbraw/zinc/18/33/57/1029183357.db2.gz MCOFSGZODCXLLM-CQSZACIVSA-N 0 3 345.439 3.880 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000271867162 1029207351 /nfs/dbraw/zinc/20/73/51/1029207351.db2.gz WNQNRIGTMMMWNB-HNNXBMFYSA-N 0 3 341.904 3.888 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000728561854 1029645256 /nfs/dbraw/zinc/64/52/56/1029645256.db2.gz BPIXTMIHXUQLFV-SFHVURJKSA-N 0 3 325.408 3.706 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000728561854 1029645260 /nfs/dbraw/zinc/64/52/60/1029645260.db2.gz BPIXTMIHXUQLFV-SFHVURJKSA-N 0 3 325.408 3.706 20 10 EHCDHN C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000278629007 1031722384 /nfs/dbraw/zinc/72/23/84/1031722384.db2.gz RWTXBPYVCAXMLT-IRXDYDNUSA-N 0 3 342.483 3.697 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1[O-] ZINC000529641340 1034331325 /nfs/dbraw/zinc/33/13/25/1034331325.db2.gz QLEKJKLTOIKQJE-MRXNPFEDSA-N 0 3 338.879 3.551 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000761201221 1034405607 /nfs/dbraw/zinc/40/56/07/1034405607.db2.gz FFPOAQMQAFNXHH-INIZCTEOSA-N 0 3 335.831 3.610 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000761201221 1034405613 /nfs/dbraw/zinc/40/56/13/1034405613.db2.gz FFPOAQMQAFNXHH-INIZCTEOSA-N 0 3 335.831 3.610 20 10 EHCDHN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC000761214893 1034550380 /nfs/dbraw/zinc/55/03/80/1034550380.db2.gz HASOZIIYRSNVAF-MRXNPFEDSA-N 0 3 347.842 3.710 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000186195634 1035600665 /nfs/dbraw/zinc/60/06/65/1035600665.db2.gz HWTRNXAYOJZADL-QFBILLFUSA-N 0 3 338.451 3.542 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000310863751 1036665003 /nfs/dbraw/zinc/66/50/03/1036665003.db2.gz OLRXYVDDADSASK-MRXNPFEDSA-N 0 3 346.471 3.616 20 10 EHCDHN CCOc1cccc(CNCc2cc(C)ccc2O)c1OC(F)F ZINC000152534803 1037242126 /nfs/dbraw/zinc/24/21/26/1037242126.db2.gz IGJPRMDMQHYJBX-UHFFFAOYSA-N 0 3 337.366 3.991 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C)c1 ZINC000182449236 1038601906 /nfs/dbraw/zinc/60/19/06/1038601906.db2.gz IYCIXCCEAIUQFA-LBPRGKRZSA-N 0 3 348.468 3.677 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000363860006 1038710673 /nfs/dbraw/zinc/71/06/73/1038710673.db2.gz GAXAIZRKYPQWTO-CYBMUJFWSA-N 0 3 325.387 3.783 20 10 EHCDHN COCCOc1cc(C)ccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000167629771 1043320171 /nfs/dbraw/zinc/32/01/71/1043320171.db2.gz RWFXYUNWFVQICR-QGZVFWFLSA-N 0 3 342.483 3.937 20 10 EHCDHN COc1ccc(CNCc2ccc3c(c2)CCCO3)cc1OC(F)F ZINC000921517691 1127620761 /nfs/dbraw/zinc/62/07/61/1127620761.db2.gz BQIKGCKCCJJNBM-UHFFFAOYSA-N 0 3 349.377 3.911 20 10 EHCDHN C[C@H]([NH3+])c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168525946 1124757237 /nfs/dbraw/zinc/75/72/37/1124757237.db2.gz MXHCKVXRLPRBET-JTQLQIEISA-N 0 3 328.803 3.621 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cn(-c3ccccc3)nc2C)c1 ZINC000186519245 1129357107 /nfs/dbraw/zinc/35/71/07/1129357107.db2.gz LFHBRSMAPMLOSP-OAHLLOKOSA-N 0 3 337.423 3.746 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000282496758 1129948979 /nfs/dbraw/zinc/94/89/79/1129948979.db2.gz RORNBTXGXCBECG-NVXWUHKLSA-N 0 3 339.439 3.658 20 10 EHCDHN CC[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845708 1130850298 /nfs/dbraw/zinc/85/02/98/1130850298.db2.gz IDYWPZXYBHPZSQ-GOSISDBHSA-N 0 3 344.499 3.928 20 10 EHCDHN CC[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845708 1130850306 /nfs/dbraw/zinc/85/03/06/1130850306.db2.gz IDYWPZXYBHPZSQ-GOSISDBHSA-N 0 3 344.499 3.928 20 10 EHCDHN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000732189751 1130891468 /nfs/dbraw/zinc/89/14/68/1130891468.db2.gz UOJSGWRQNVGSHZ-MRXNPFEDSA-N 0 3 336.435 3.960 20 10 EHCDHN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000732189751 1130891472 /nfs/dbraw/zinc/89/14/72/1130891472.db2.gz UOJSGWRQNVGSHZ-MRXNPFEDSA-N 0 3 336.435 3.960 20 10 EHCDHN C[N@H+](CCOc1cccc(Br)c1)Cc1ccccc1[O-] ZINC000732203107 1130900502 /nfs/dbraw/zinc/90/05/02/1130900502.db2.gz PGCBOXQTQYUHGU-UHFFFAOYSA-N 0 3 336.229 3.666 20 10 EHCDHN C[N@@H+](CCOc1cccc(Br)c1)Cc1ccccc1[O-] ZINC000732203107 1130900510 /nfs/dbraw/zinc/90/05/10/1130900510.db2.gz PGCBOXQTQYUHGU-UHFFFAOYSA-N 0 3 336.229 3.666 20 10 EHCDHN C[C@H](NCc1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000742369068 1131711406 /nfs/dbraw/zinc/71/14/06/1131711406.db2.gz LRNGHYRKMQSZNE-KRWDZBQOSA-N 0 3 347.462 3.922 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]CCCC(F)(F)F)c1[O-] ZINC000743497398 1131930391 /nfs/dbraw/zinc/93/03/91/1131930391.db2.gz YFASOTZKXAGMJU-UHFFFAOYSA-N 0 3 342.155 3.595 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000766475608 1132553342 /nfs/dbraw/zinc/55/33/42/1132553342.db2.gz ZTAWPDYZJCJKCR-OAQYLSRUSA-N 0 3 349.430 3.891 20 10 EHCDHN COc1cccc(O)c1CN(C)Cc1ccc(Br)cc1 ZINC000768169087 1133104283 /nfs/dbraw/zinc/10/42/83/1133104283.db2.gz FMONKXISRCAGMM-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN Cc1cc(O)c(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)cc1C ZINC000768179298 1133108833 /nfs/dbraw/zinc/10/88/33/1133108833.db2.gz AEOVGUOMYUXFGX-UHFFFAOYSA-N 0 3 344.430 3.997 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccccc3)CC1)[C@H](O)CO2 ZINC000768453570 1133141490 /nfs/dbraw/zinc/14/14/90/1133141490.db2.gz YXQMSZJPGFZUCV-OXQOHEQNSA-N 0 3 339.435 3.588 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccccc3)CC1)[C@H](O)CO2 ZINC000768453570 1133141491 /nfs/dbraw/zinc/14/14/91/1133141491.db2.gz YXQMSZJPGFZUCV-OXQOHEQNSA-N 0 3 339.435 3.588 20 10 EHCDHN CN(Cc1ccccc1O)Cc1ccccc1OCc1ccncc1 ZINC000768873629 1133194227 /nfs/dbraw/zinc/19/42/27/1133194227.db2.gz SLYLWFXGYDEBGD-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN Cc1ccc(O)c(CN2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000768895960 1133198144 /nfs/dbraw/zinc/19/81/44/1133198144.db2.gz LHFVJLRUIISWBN-UHFFFAOYSA-N 0 3 333.435 3.571 20 10 EHCDHN CN(C)c1cc(F)c(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1F ZINC001179211291 1133235448 /nfs/dbraw/zinc/23/54/48/1133235448.db2.gz YWHFLKWXYXBNJA-GDIGMMSISA-N 0 3 332.369 3.598 20 10 EHCDHN OC[C@H]1c2ccccc2CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000769444812 1133290979 /nfs/dbraw/zinc/29/09/79/1133290979.db2.gz CJUCHZVICHVGNP-QFIPXVFZSA-N 0 3 336.479 3.769 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000769444731 1133291186 /nfs/dbraw/zinc/29/11/86/1133291186.db2.gz CVZQUEYUJVNUCL-IBGZPJMESA-N 0 3 347.430 3.732 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000769444731 1133291190 /nfs/dbraw/zinc/29/11/90/1133291190.db2.gz CVZQUEYUJVNUCL-IBGZPJMESA-N 0 3 347.430 3.732 20 10 EHCDHN CCn1nc(CNCCCSc2nccs2)c2ccccc21 ZINC000769914991 1133358776 /nfs/dbraw/zinc/35/87/76/1133358776.db2.gz TUZHMJMWJCFHFC-UHFFFAOYSA-N 0 3 332.498 3.785 20 10 EHCDHN C[NH+](C)CCN(Cc1cccc(F)c1)Cc1ccc(Cl)cc1[O-] ZINC001181484914 1133496943 /nfs/dbraw/zinc/49/69/43/1133496943.db2.gz GCNGPRFNECGMJX-UHFFFAOYSA-N 0 3 336.838 3.749 20 10 EHCDHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771387121 1133550371 /nfs/dbraw/zinc/55/03/71/1133550371.db2.gz IDOKTYBEGUPBQG-IRXDYDNUSA-N 0 3 325.456 3.638 20 10 EHCDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482394 1133687710 /nfs/dbraw/zinc/68/77/10/1133687710.db2.gz KESSJZXAMSTZRB-SOLBZPMBSA-N 0 3 331.504 3.583 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(F)c1 ZINC000774483309 1133688025 /nfs/dbraw/zinc/68/80/25/1133688025.db2.gz JOKXVXBFJVSGJP-UONOGXRCSA-N 0 3 329.419 3.570 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000774487207 1133688783 /nfs/dbraw/zinc/68/87/83/1133688783.db2.gz YBOPUVNLJWRLQV-OLZOCXBDSA-N 0 3 347.409 3.709 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775137027 1134367112 /nfs/dbraw/zinc/36/71/12/1134367112.db2.gz QBNJYWYLKZMFNY-ZBEGNZNMSA-N 0 3 325.330 3.795 20 10 EHCDHN CCN(C)C(=O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000775361180 1134666353 /nfs/dbraw/zinc/66/63/53/1134666353.db2.gz HQAPZIJCJRRTLR-UHFFFAOYSA-N 0 3 334.504 3.555 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000772799002 1134702434 /nfs/dbraw/zinc/70/24/34/1134702434.db2.gz VPSIRFSRGSWBRF-CYBMUJFWSA-N 0 3 347.484 3.705 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1[O-] ZINC000775412921 1134751697 /nfs/dbraw/zinc/75/16/97/1134751697.db2.gz SCBIOSBSCUZCER-DAYGRLMNSA-N 0 3 338.451 3.799 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([O-])c1 ZINC000793611481 1134972026 /nfs/dbraw/zinc/97/20/26/1134972026.db2.gz HFKOTLQIYRUUNK-CABCVRRESA-N 0 3 330.255 3.807 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([O-])c1 ZINC000793611481 1134972034 /nfs/dbraw/zinc/97/20/34/1134972034.db2.gz HFKOTLQIYRUUNK-CABCVRRESA-N 0 3 330.255 3.807 20 10 EHCDHN CC[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775526942 1135011416 /nfs/dbraw/zinc/01/14/16/1135011416.db2.gz OSLDHRRWFVMJFU-KRWDZBQOSA-N 0 3 327.424 3.837 20 10 EHCDHN C[C@@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172533 1135397822 /nfs/dbraw/zinc/39/78/22/1135397822.db2.gz NSLORTDUAYKCSX-QRWLVFNGSA-N 0 3 329.463 3.845 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000808682051 1135710466 /nfs/dbraw/zinc/71/04/66/1135710466.db2.gz MQPMCVHEAULJFM-KGLIPLIRSA-N 0 3 346.858 3.710 20 10 EHCDHN CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808674346 1135713946 /nfs/dbraw/zinc/71/39/46/1135713946.db2.gz QWBFQOFSOUAPHB-GFCCVEGCSA-N 0 3 340.851 3.626 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1[O-] ZINC000808717924 1135721122 /nfs/dbraw/zinc/72/11/22/1135721122.db2.gz NHXKAUKDIUJIIL-RHSMWYFYSA-N 0 3 333.859 3.998 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCCOC1 ZINC000809693331 1135866827 /nfs/dbraw/zinc/86/68/27/1135866827.db2.gz SVTBWBJUGWYBJP-GOSISDBHSA-N 0 3 327.424 3.582 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCCOC1 ZINC000809693331 1135866830 /nfs/dbraw/zinc/86/68/30/1135866830.db2.gz SVTBWBJUGWYBJP-GOSISDBHSA-N 0 3 327.424 3.582 20 10 EHCDHN CCCC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1[O-] ZINC000809662632 1135869789 /nfs/dbraw/zinc/86/97/89/1135869789.db2.gz BADWDOBUUZVXSP-UHFFFAOYSA-N 0 3 345.439 3.917 20 10 EHCDHN CCCC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1[O-] ZINC000809662632 1135869792 /nfs/dbraw/zinc/86/97/92/1135869792.db2.gz BADWDOBUUZVXSP-UHFFFAOYSA-N 0 3 345.439 3.917 20 10 EHCDHN C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809702335 1135870903 /nfs/dbraw/zinc/87/09/03/1135870903.db2.gz RVYCSZAYTYNNIJ-KDOFPFPSSA-N 0 3 329.465 3.812 20 10 EHCDHN CN(C)c1ccc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000776015780 1135921269 /nfs/dbraw/zinc/92/12/69/1135921269.db2.gz XENOEBCDLSKAJX-UHFFFAOYSA-N 0 3 328.431 3.977 20 10 EHCDHN CCc1ccccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001199722241 1135922893 /nfs/dbraw/zinc/92/28/93/1135922893.db2.gz PSWQKPHQOJKLBC-UHFFFAOYSA-N 0 3 342.458 3.639 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CC1Cc2ccccc2C1)C[C@@H]1CCCO1 ZINC000811454245 1136089217 /nfs/dbraw/zinc/08/92/17/1136089217.db2.gz XUQUAJUBXILADP-NRFANRHFSA-N 0 3 337.463 3.788 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CC1Cc2ccccc2C1)C[C@@H]1CCCO1 ZINC000811454245 1136089219 /nfs/dbraw/zinc/08/92/19/1136089219.db2.gz XUQUAJUBXILADP-NRFANRHFSA-N 0 3 337.463 3.788 20 10 EHCDHN COCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCCC1 ZINC000811517963 1136098006 /nfs/dbraw/zinc/09/80/06/1136098006.db2.gz FJORPOXYEKFDTP-UHFFFAOYSA-N 0 3 327.852 3.741 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000811791799 1136141295 /nfs/dbraw/zinc/14/12/95/1136141295.db2.gz VRBLOVBNKBJDEG-PKOBYXMFSA-N 0 3 345.483 3.929 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)COc2c(F)cccc2F)c([O-])c1 ZINC000850366579 1136241912 /nfs/dbraw/zinc/24/19/12/1136241912.db2.gz DTNXPGYERPSLEW-LBPRGKRZSA-N 0 3 337.366 3.626 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C(C)(C2CC2)C2CC2)c1[O-] ZINC000850398104 1136248741 /nfs/dbraw/zinc/24/87/41/1136248741.db2.gz LISOPRNLNSRQIS-UHFFFAOYSA-N 0 3 340.261 3.832 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cccc(F)c3F)C2)cc1 ZINC000850487120 1136268983 /nfs/dbraw/zinc/26/89/83/1136268983.db2.gz GEHLLYFCINGPAA-ZIAGYGMSSA-N 0 3 332.394 3.903 20 10 EHCDHN CNC(=O)CC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCCCC1 ZINC000850554485 1136284447 /nfs/dbraw/zinc/28/44/47/1136284447.db2.gz DXSRMYFHDAMRMK-INIZCTEOSA-N 0 3 332.488 3.746 20 10 EHCDHN CSc1ccccc1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000109770618 1136339981 /nfs/dbraw/zinc/33/99/81/1136339981.db2.gz FTZRBNKTDCZZEZ-UHFFFAOYSA-N 0 3 330.453 3.575 20 10 EHCDHN CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000109770618 1136339985 /nfs/dbraw/zinc/33/99/85/1136339985.db2.gz FTZRBNKTDCZZEZ-UHFFFAOYSA-N 0 3 330.453 3.575 20 10 EHCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCCC1)[C@H]1CCOC1 ZINC000851769641 1136406063 /nfs/dbraw/zinc/40/60/63/1136406063.db2.gz KIPLFIZAFLRTMX-FXAWDEMLSA-N 0 3 333.472 3.578 20 10 EHCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCCC1)[C@H]1CCOC1 ZINC000851769641 1136406067 /nfs/dbraw/zinc/40/60/67/1136406067.db2.gz KIPLFIZAFLRTMX-FXAWDEMLSA-N 0 3 333.472 3.578 20 10 EHCDHN CC1CCN(c2cccc(NC(=O)c3cccc4c3CCNC4)c2)CC1 ZINC000852870655 1136491481 /nfs/dbraw/zinc/49/14/81/1136491481.db2.gz OWCYYXKFZIHRQW-UHFFFAOYSA-N 0 3 349.478 3.821 20 10 EHCDHN CCn1nccc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000853239684 1136521000 /nfs/dbraw/zinc/52/10/00/1136521000.db2.gz JEWDUVMETJNIBL-NSHDSACASA-N 0 3 338.249 3.530 20 10 EHCDHN CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815618479 1136619311 /nfs/dbraw/zinc/61/93/11/1136619311.db2.gz MQFFVIHJAVNTBA-YZGWKJHDSA-N 0 3 325.452 3.815 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)c1[O-] ZINC000817954901 1136851160 /nfs/dbraw/zinc/85/11/60/1136851160.db2.gz MINAMAPZPTUIHK-WBMJQRKESA-N 0 3 349.272 3.814 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@H]3CCCc4scnc43)C2)cc1 ZINC000858427288 1136966941 /nfs/dbraw/zinc/96/69/41/1136966941.db2.gz BWUOFTDZPVSOKT-YOEHRIQHSA-N 0 3 343.496 3.645 20 10 EHCDHN CC[C@@H](NCc1c(C(F)(F)F)cnn1C)c1ccc(N(C)C)cc1 ZINC000858453589 1136969347 /nfs/dbraw/zinc/96/93/47/1136969347.db2.gz VVPZDWJZPUKMGF-OAHLLOKOSA-N 0 3 340.393 3.746 20 10 EHCDHN C[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409137 1137098746 /nfs/dbraw/zinc/09/87/46/1137098746.db2.gz VMCZVMVFONNZHT-HOTGVXAUSA-N 0 3 348.487 3.860 20 10 EHCDHN C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409137 1137098748 /nfs/dbraw/zinc/09/87/48/1137098748.db2.gz VMCZVMVFONNZHT-HOTGVXAUSA-N 0 3 348.487 3.860 20 10 EHCDHN CCOc1ccc(O)c(CN(C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000824690416 1137148374 /nfs/dbraw/zinc/14/83/74/1137148374.db2.gz FIERUXVVTIKFPX-QGZVFWFLSA-N 0 3 335.831 3.610 20 10 EHCDHN COC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000825321994 1137172936 /nfs/dbraw/zinc/17/29/36/1137172936.db2.gz UJZHVNINXJGTDX-CYBMUJFWSA-N 0 3 342.277 3.712 20 10 EHCDHN COC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000825321994 1137172937 /nfs/dbraw/zinc/17/29/37/1137172937.db2.gz UJZHVNINXJGTDX-CYBMUJFWSA-N 0 3 342.277 3.712 20 10 EHCDHN CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1ccc(C)cc1[O-] ZINC000794813705 1137262558 /nfs/dbraw/zinc/26/25/58/1137262558.db2.gz BTJKBYGRVFUWDL-QAPCUYQASA-N 0 3 327.424 3.754 20 10 EHCDHN C[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000866406811 1137352545 /nfs/dbraw/zinc/35/25/45/1137352545.db2.gz IINNVMPIYDIFOL-BONVTDFDSA-N 0 3 343.320 3.934 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@H]1CCc3c(F)cc(F)cc3C1)CCC2 ZINC001171387472 1137467276 /nfs/dbraw/zinc/46/72/76/1137467276.db2.gz HRIOPUHZFIZIEW-INIZCTEOSA-N 0 3 345.389 3.682 20 10 EHCDHN COc1ccc(CNCc2ccc(F)c(C)c2)cc1Cn1cccn1 ZINC000873009731 1137587806 /nfs/dbraw/zinc/58/78/06/1137587806.db2.gz SYBDDOISFMHXMD-UHFFFAOYSA-N 0 3 339.414 3.677 20 10 EHCDHN CCCOc1ccc(CNCc2ccnc(-n3ccnc3)c2)cc1C ZINC000873028075 1137588409 /nfs/dbraw/zinc/58/84/09/1137588409.db2.gz SXZLFOBTLQFMPB-UHFFFAOYSA-N 0 3 336.439 3.654 20 10 EHCDHN Cc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000876909542 1137665067 /nfs/dbraw/zinc/66/50/67/1137665067.db2.gz ASRILCGWFYGFJW-UHFFFAOYSA-N 0 3 325.330 3.932 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878326728 1137711015 /nfs/dbraw/zinc/71/10/15/1137711015.db2.gz UYTIHOUNPTZQHV-QFBILLFUSA-N 0 3 348.450 3.734 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878326728 1137711016 /nfs/dbraw/zinc/71/10/16/1137711016.db2.gz UYTIHOUNPTZQHV-QFBILLFUSA-N 0 3 348.450 3.734 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000879648390 1137753640 /nfs/dbraw/zinc/75/36/40/1137753640.db2.gz MPFHRXHYSGNONO-BDJLRTHQSA-N 0 3 336.229 3.539 20 10 EHCDHN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651491 1137753791 /nfs/dbraw/zinc/75/37/91/1137753791.db2.gz XZCXVARCONBQCY-QWHCGFSZSA-N 0 3 348.393 3.541 20 10 EHCDHN c1csc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000130247386 1137835778 /nfs/dbraw/zinc/83/57/78/1137835778.db2.gz VHQLZUNGQRZPIO-UHFFFAOYSA-N 0 3 328.481 3.749 20 10 EHCDHN C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631679 1138104156 /nfs/dbraw/zinc/10/41/56/1138104156.db2.gz UBYWEJOFXJKQAZ-YOEHRIQHSA-N 0 3 339.414 3.899 20 10 EHCDHN C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1c([O-])cccc1F ZINC000886631679 1138104158 /nfs/dbraw/zinc/10/41/58/1138104158.db2.gz UBYWEJOFXJKQAZ-YOEHRIQHSA-N 0 3 339.414 3.899 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000886711524 1138122449 /nfs/dbraw/zinc/12/24/49/1138122449.db2.gz XPMHQGVCJOQKDQ-DLBZAZTESA-N 0 3 333.472 3.717 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c2c1c(F)ccc2[O-] ZINC000886771986 1138137587 /nfs/dbraw/zinc/13/75/87/1138137587.db2.gz QUIIMAREXABYJR-IIHLJPHWSA-N 0 3 349.446 3.642 20 10 EHCDHN Cn1nncc1C[N@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000093315134 1138235800 /nfs/dbraw/zinc/23/58/00/1138235800.db2.gz WMAQMROXXAKKJQ-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN Cn1nncc1C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCCC1 ZINC000093315134 1138235802 /nfs/dbraw/zinc/23/58/02/1138235802.db2.gz WMAQMROXXAKKJQ-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181121168 1139886515 /nfs/dbraw/zinc/88/65/15/1139886515.db2.gz CEKSKCBKFNUFBT-UHFFFAOYSA-N 0 3 343.324 3.584 20 10 EHCDHN CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185077884 1140135376 /nfs/dbraw/zinc/13/53/76/1140135376.db2.gz BLBRBUUKDUWNPT-ZDUSSCGKSA-N 0 3 336.451 3.609 20 10 EHCDHN CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185479328 1140151902 /nfs/dbraw/zinc/15/19/02/1140151902.db2.gz OGWANXNFGRBJNT-BFUOFWGJSA-N 0 3 333.403 3.703 20 10 EHCDHN Cc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1N(C)C ZINC000271528543 1141388860 /nfs/dbraw/zinc/38/88/60/1141388860.db2.gz ROPQZRNSASUZPE-NPMXOYFQSA-N 0 3 330.497 3.649 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c([O-])c1 ZINC000283159230 1141564038 /nfs/dbraw/zinc/56/40/38/1141564038.db2.gz YCDNDRQWYBIVGD-HNNXBMFYSA-N 0 3 329.444 3.592 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c([O-])c1 ZINC000283159230 1141564041 /nfs/dbraw/zinc/56/40/41/1141564041.db2.gz YCDNDRQWYBIVGD-HNNXBMFYSA-N 0 3 329.444 3.592 20 10 EHCDHN Oc1ccccc1CN(Cc1cc(F)cc(F)c1)C[C@@H]1CCCO1 ZINC000160168073 1014176944 /nfs/dbraw/zinc/17/69/44/1014176944.db2.gz CLDDANIZYHWKHR-SFHVURJKSA-N 0 3 333.378 3.852 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000183517978 1032177926 /nfs/dbraw/zinc/17/79/26/1032177926.db2.gz NBFLHXFGWPGEOC-KGLIPLIRSA-N 0 3 348.393 3.923 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000376863691 1017165681 /nfs/dbraw/zinc/16/56/81/1017165681.db2.gz GMMJLRQKPKKSAX-UONOGXRCSA-N 0 3 332.394 3.848 20 10 EHCDHN C[C@@H](NCc1cc(O)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000892731729 1017248085 /nfs/dbraw/zinc/24/80/85/1017248085.db2.gz XKKZEOMCNLDETQ-CQSZACIVSA-N 0 3 346.858 3.733 20 10 EHCDHN Cc1noc(C[C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000897578838 1032815598 /nfs/dbraw/zinc/81/55/98/1032815598.db2.gz HQWLLESHNJFIEU-OAHLLOKOSA-N 0 3 337.423 3.692 20 10 EHCDHN Cc1noc(C[C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000897578838 1032815616 /nfs/dbraw/zinc/81/56/16/1032815616.db2.gz HQWLLESHNJFIEU-OAHLLOKOSA-N 0 3 337.423 3.692 20 10 EHCDHN CCOC(=O)c1csc(CC[NH2+][C@@H](CC)c2ccc(C)cc2[O-])n1 ZINC000280180360 1020171057 /nfs/dbraw/zinc/17/10/57/1020171057.db2.gz ROUVEWQYGDRHCA-AWEZNQCLSA-N 0 3 348.468 3.617 20 10 EHCDHN Cc1ccccc1OCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096971021 1021078789 /nfs/dbraw/zinc/07/87/89/1021078789.db2.gz KFCFXSQREIZHLS-IBGZPJMESA-N 0 3 341.451 3.761 20 10 EHCDHN Cc1ccccc1OCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096971021 1021078794 /nfs/dbraw/zinc/07/87/94/1021078794.db2.gz KFCFXSQREIZHLS-IBGZPJMESA-N 0 3 341.451 3.761 20 10 EHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1nc(-c3ccncc3)cs1)CC2 ZINC000296781327 1021431509 /nfs/dbraw/zinc/43/15/09/1021431509.db2.gz KTCIRHOVUFYEDF-OAHLLOKOSA-N 0 3 337.448 3.730 20 10 EHCDHN NC(=O)c1csc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000156783422 1024580256 /nfs/dbraw/zinc/58/02/56/1024580256.db2.gz GLQMWMGUXUHOJC-UHFFFAOYSA-N 0 3 344.480 3.888 20 10 EHCDHN NC(=O)c1csc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000156783422 1024580263 /nfs/dbraw/zinc/58/02/63/1024580263.db2.gz GLQMWMGUXUHOJC-UHFFFAOYSA-N 0 3 344.480 3.888 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000895704305 1024740204 /nfs/dbraw/zinc/74/02/04/1024740204.db2.gz MQVPEKPPINGLDG-KRWDZBQOSA-N 0 3 343.398 3.694 20 10 EHCDHN CC[C@@H](NCc1cc(OC)c(OC)cc1O)c1cc(F)ccc1OC ZINC000896688684 1025854145 /nfs/dbraw/zinc/85/41/45/1025854145.db2.gz QHTXKRPLODALOM-OAHLLOKOSA-N 0 3 349.402 3.798 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1[O-] ZINC000278528836 1029082990 /nfs/dbraw/zinc/08/29/90/1029082990.db2.gz TYCAARYPMRTSSU-KKUMJFAQSA-N 0 3 334.460 3.831 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](CCc1cnn(C)c1)Cc1ccccc1[O-] ZINC000272081739 1029302567 /nfs/dbraw/zinc/30/25/67/1029302567.db2.gz WLCIQFSKSWGSFM-QGZVFWFLSA-N 0 3 335.451 3.932 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](CCc1cnn(C)c1)Cc1ccccc1[O-] ZINC000272081739 1029302585 /nfs/dbraw/zinc/30/25/85/1029302585.db2.gz WLCIQFSKSWGSFM-QGZVFWFLSA-N 0 3 335.451 3.932 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000156340059 1029805910 /nfs/dbraw/zinc/80/59/10/1029805910.db2.gz XIRNGMXSCRWHSI-CZUORRHYSA-N 0 3 331.847 3.760 20 10 EHCDHN Cc1nc(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)no1 ZINC000092787606 1030517406 /nfs/dbraw/zinc/51/74/06/1030517406.db2.gz NIFXFJZCKQKEFH-UHFFFAOYSA-N 0 3 340.471 3.748 20 10 EHCDHN CCOc1ccc(C[NH2+]C(C)(C)c2ccc(OC)c(F)c2)c([O-])c1 ZINC000527780132 1031216253 /nfs/dbraw/zinc/21/62/53/1031216253.db2.gz CPYGKFIQQNGZGE-UHFFFAOYSA-N 0 3 333.403 3.964 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000527926259 1031418822 /nfs/dbraw/zinc/41/88/22/1031418822.db2.gz KKCGQIVREFPBKW-CHWSQXEVSA-N 0 3 342.277 3.930 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN1Cc1ccc(OC)cc1)c1ccccc1[O-] ZINC000527964500 1031532427 /nfs/dbraw/zinc/53/24/27/1031532427.db2.gz CLTHZQYZDONRHG-YLJYHZDGSA-N 0 3 340.467 3.716 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000760171773 1031763647 /nfs/dbraw/zinc/76/36/47/1031763647.db2.gz PCGKZICCHMHFOU-CABCVRRESA-N 0 3 345.874 3.983 20 10 EHCDHN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000529641893 1034333733 /nfs/dbraw/zinc/33/37/33/1034333733.db2.gz GGCCQRFGSYTUOK-LAUBAEHRSA-N 0 3 339.435 3.628 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1[O-] ZINC000761203001 1034407175 /nfs/dbraw/zinc/40/71/75/1034407175.db2.gz HRWYIEXODNCWPE-PXAZEXFGSA-N 0 3 347.842 3.878 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1[O-] ZINC000761203001 1034407180 /nfs/dbraw/zinc/40/71/80/1034407180.db2.gz HRWYIEXODNCWPE-PXAZEXFGSA-N 0 3 347.842 3.878 20 10 EHCDHN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C2 ZINC000761214877 1034543795 /nfs/dbraw/zinc/54/37/95/1034543795.db2.gz HASOZIIYRSNVAF-INIZCTEOSA-N 0 3 347.842 3.710 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc(F)c(F)c2F)c1[O-] ZINC000761216071 1034609094 /nfs/dbraw/zinc/60/90/94/1034609094.db2.gz OJZNVTXKWFSKRF-UHFFFAOYSA-N 0 3 345.748 3.804 20 10 EHCDHN C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1[O-] ZINC000171926243 1034712294 /nfs/dbraw/zinc/71/22/94/1034712294.db2.gz MGIRLMJQAFGZAA-UHFFFAOYSA-N 0 3 325.330 3.965 20 10 EHCDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1[O-] ZINC000171926243 1034712302 /nfs/dbraw/zinc/71/23/02/1034712302.db2.gz MGIRLMJQAFGZAA-UHFFFAOYSA-N 0 3 325.330 3.965 20 10 EHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000761225280 1034810446 /nfs/dbraw/zinc/81/04/46/1034810446.db2.gz BBIXUUKEQPNUCM-LJQANCHMSA-N 0 3 328.431 3.628 20 10 EHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000761225280 1034810452 /nfs/dbraw/zinc/81/04/52/1034810452.db2.gz BBIXUUKEQPNUCM-LJQANCHMSA-N 0 3 328.431 3.628 20 10 EHCDHN Cc1nc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)s1 ZINC000898450429 1039049095 /nfs/dbraw/zinc/04/90/95/1039049095.db2.gz RIPSGSYACHRNAM-FZKQIMNGSA-N 0 3 346.544 3.779 20 10 EHCDHN CCC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)Cc1ccccc1[O-] ZINC000194997423 1041363289 /nfs/dbraw/zinc/36/32/89/1041363289.db2.gz AYEDZWYEEQNVEA-UHFFFAOYSA-N 0 3 342.464 3.718 20 10 EHCDHN CCC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)Cc1ccccc1[O-] ZINC000194997423 1041363297 /nfs/dbraw/zinc/36/32/97/1041363297.db2.gz AYEDZWYEEQNVEA-UHFFFAOYSA-N 0 3 342.464 3.718 20 10 EHCDHN O=C(c1cccc2c1CCNC2)N1CC2(CCC2)c2c1cccc2F ZINC000662560340 1042781056 /nfs/dbraw/zinc/78/10/56/1042781056.db2.gz FCTPEHSKYBKUGB-UHFFFAOYSA-N 0 3 336.410 3.554 20 10 EHCDHN CCN(Cc1ccc(Cl)s1)Cc1cc2c(cc1O)OCO2 ZINC000008039803 1042934792 /nfs/dbraw/zinc/93/47/92/1042934792.db2.gz VEXSESVSSLOPRP-UHFFFAOYSA-N 0 3 325.817 3.858 20 10 EHCDHN Oc1cc2c(cc1CN[C@@H]1CCSc3ccc(F)cc31)OCO2 ZINC000063255960 1044179038 /nfs/dbraw/zinc/17/90/38/1044179038.db2.gz PJERYALMEBBYDD-CYBMUJFWSA-N 0 3 333.384 3.587 20 10 EHCDHN COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000183518235 1125586361 /nfs/dbraw/zinc/58/63/61/1125586361.db2.gz LQFDMTKNMRYSOD-JKSUJKDBSA-N 0 3 326.440 3.720 20 10 EHCDHN C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cc(F)ccc1[O-] ZINC000185170117 1126801761 /nfs/dbraw/zinc/80/17/61/1126801761.db2.gz RUNYXOWSOCKBJB-ZDUSSCGKSA-N 0 3 330.428 3.987 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185455909 1126903498 /nfs/dbraw/zinc/90/34/98/1126903498.db2.gz LYCSHZDMTIXSCQ-CABCVRRESA-N 0 3 334.460 3.751 20 10 EHCDHN COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000185481224 1126906466 /nfs/dbraw/zinc/90/64/66/1126906466.db2.gz ULQIZQZIODDFJZ-GDBMZVCRSA-N 0 3 344.430 3.860 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000185533937 1126928467 /nfs/dbraw/zinc/92/84/67/1126928467.db2.gz XKMJYXICRCFRQJ-CZUORRHYSA-N 0 3 334.460 3.655 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185681227 1126981848 /nfs/dbraw/zinc/98/18/48/1126981848.db2.gz JEZDFHOWZWHBLV-AAEUAGOBSA-N 0 3 336.357 3.739 20 10 EHCDHN COc1cc(OC)cc(OCCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000186100210 1127264371 /nfs/dbraw/zinc/26/43/71/1127264371.db2.gz HCTFDJYPQTXSHU-ZDUSSCGKSA-N 0 3 349.402 3.668 20 10 EHCDHN CC(C)n1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000765327669 1127597852 /nfs/dbraw/zinc/59/78/52/1127597852.db2.gz BFUMTKGVEGGJAL-SJORKVTESA-N 0 3 342.487 3.712 20 10 EHCDHN CCN(CC)C(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765333436 1127599723 /nfs/dbraw/zinc/59/97/23/1127599723.db2.gz LRYQNWBDLLEYJM-QGZVFWFLSA-N 0 3 331.504 3.586 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(C)(C)OC)c1[O-] ZINC000903329655 1128468752 /nfs/dbraw/zinc/46/87/52/1128468752.db2.gz CAXCQEYNLXKREJ-VHSXEESVSA-N 0 3 346.265 3.627 20 10 EHCDHN CCOc1cc(CNCc2ccc3c(c2)CCCO3)ccc1OC ZINC000921740016 1128702477 /nfs/dbraw/zinc/70/24/77/1128702477.db2.gz CCYSTBYSJLIBDB-UHFFFAOYSA-N 0 3 327.424 3.709 20 10 EHCDHN COc1ccc(O)c(CN(C)Cc2ccccc2N2CCCC2)c1 ZINC000179615547 1123809359 /nfs/dbraw/zinc/80/93/59/1123809359.db2.gz KIQYVWLDNDSPBR-UHFFFAOYSA-N 0 3 326.440 3.633 20 10 EHCDHN C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000182633899 1125346653 /nfs/dbraw/zinc/34/66/53/1125346653.db2.gz VANHSABFECOYMT-KRWDZBQOSA-N 0 3 338.499 3.678 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2cccc(C(=O)NC)c2)cc1 ZINC000733841419 1131084367 /nfs/dbraw/zinc/08/43/67/1131084367.db2.gz DUGOLCYVOOZQNU-UHFFFAOYSA-N 0 3 339.483 3.524 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000738160748 1131462942 /nfs/dbraw/zinc/46/29/42/1131462942.db2.gz YVPYBRIWQPERPY-MRXNPFEDSA-N 0 3 337.423 3.588 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000738160748 1131462946 /nfs/dbraw/zinc/46/29/46/1131462946.db2.gz YVPYBRIWQPERPY-MRXNPFEDSA-N 0 3 337.423 3.588 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172966434 1131920793 /nfs/dbraw/zinc/92/07/93/1131920793.db2.gz BTDDZJUJXWFXSA-HNNXBMFYSA-N 0 3 336.476 3.860 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172966434 1131920797 /nfs/dbraw/zinc/92/07/97/1131920797.db2.gz BTDDZJUJXWFXSA-HNNXBMFYSA-N 0 3 336.476 3.860 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000743870227 1131994923 /nfs/dbraw/zinc/99/49/23/1131994923.db2.gz MCXIJPUODYGODC-JZXOWHBKSA-N 0 3 332.488 3.688 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000743870227 1131994926 /nfs/dbraw/zinc/99/49/26/1131994926.db2.gz MCXIJPUODYGODC-JZXOWHBKSA-N 0 3 332.488 3.688 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000743869879 1131996691 /nfs/dbraw/zinc/99/66/91/1131996691.db2.gz DHEVTRSKRMHLHM-MRXNPFEDSA-N 0 3 326.440 3.656 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)c1ccccc1 ZINC000743869879 1131996704 /nfs/dbraw/zinc/99/67/04/1131996704.db2.gz DHEVTRSKRMHLHM-MRXNPFEDSA-N 0 3 326.440 3.656 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)c1ccccc1 ZINC000743869879 1131996711 /nfs/dbraw/zinc/99/67/11/1131996711.db2.gz DHEVTRSKRMHLHM-MRXNPFEDSA-N 0 3 326.440 3.656 20 10 EHCDHN C[C@@H]1CC([NH2+]Cc2ccccc2[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673281 1132116805 /nfs/dbraw/zinc/11/68/05/1132116805.db2.gz LYXOZTCAKKRDBP-ZIAGYGMSSA-N 0 3 334.460 3.658 20 10 EHCDHN C[C@@H](NCC(=O)NCCCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC001169461107 1132767116 /nfs/dbraw/zinc/76/71/16/1132767116.db2.gz CVECVYSZNOLJHU-QGZVFWFLSA-N 0 3 345.531 3.880 20 10 EHCDHN Cc1cc(CN[C@]2(CO)CC[C@@H](C)c3ccccc32)ccc1N(C)C ZINC001176932042 1133011356 /nfs/dbraw/zinc/01/13/56/1133011356.db2.gz AJNXCFRKMRTYQB-ZHRRBRCNSA-N 0 3 338.495 3.936 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1nccc2ccccc21 ZINC000768207398 1133107881 /nfs/dbraw/zinc/10/78/81/1133107881.db2.gz HPFTTZIVNDIYET-UHFFFAOYSA-N 0 3 347.462 3.703 20 10 EHCDHN C[N@H+](Cc1csc2ccccc12)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439126 1133138226 /nfs/dbraw/zinc/13/82/26/1133138226.db2.gz HVZNTVFHWCUKHU-QGZVFWFLSA-N 0 3 341.432 3.665 20 10 EHCDHN C[N@@H+](Cc1csc2ccccc12)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439126 1133138229 /nfs/dbraw/zinc/13/82/29/1133138229.db2.gz HVZNTVFHWCUKHU-QGZVFWFLSA-N 0 3 341.432 3.665 20 10 EHCDHN Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768462130 1133144531 /nfs/dbraw/zinc/14/45/31/1133144531.db2.gz JVBMPCMYSKXUOU-QUCCMNQESA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768462130 1133144532 /nfs/dbraw/zinc/14/45/32/1133144532.db2.gz JVBMPCMYSKXUOU-QUCCMNQESA-N 0 3 339.435 3.772 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000768690785 1133173596 /nfs/dbraw/zinc/17/35/96/1133173596.db2.gz NRZSRKWOOMQHES-XGTXGMFGSA-N 0 3 344.833 3.643 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c([O-])c1 ZINC000768999704 1133219167 /nfs/dbraw/zinc/21/91/67/1133219167.db2.gz PHWLKFULDPIXNR-UHFFFAOYSA-N 0 3 326.440 3.503 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)c([O-])c1 ZINC000768999704 1133219170 /nfs/dbraw/zinc/21/91/70/1133219170.db2.gz PHWLKFULDPIXNR-UHFFFAOYSA-N 0 3 326.440 3.503 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773812613 1133240838 /nfs/dbraw/zinc/24/08/38/1133240838.db2.gz RNGDFMQTRDOSBE-IQMFZBJNSA-N 0 3 330.497 3.731 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770326673 1133411381 /nfs/dbraw/zinc/41/13/81/1133411381.db2.gz QKVYMLUEBFWXBG-MAUKXSAKSA-N 0 3 345.439 3.862 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770326673 1133411383 /nfs/dbraw/zinc/41/13/83/1133411383.db2.gz QKVYMLUEBFWXBG-MAUKXSAKSA-N 0 3 345.439 3.862 20 10 EHCDHN COC(=O)c1ccccc1-c1ccc(CNCc2ccccc2O)o1 ZINC000771839003 1133598793 /nfs/dbraw/zinc/59/87/93/1133598793.db2.gz BVINHPNYKALVOG-UHFFFAOYSA-N 0 3 337.375 3.729 20 10 EHCDHN COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2[O-])o1 ZINC000771839003 1133598796 /nfs/dbraw/zinc/59/87/96/1133598796.db2.gz BVINHPNYKALVOG-UHFFFAOYSA-N 0 3 337.375 3.729 20 10 EHCDHN CCC(O)(CC)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183197666 1133778514 /nfs/dbraw/zinc/77/85/14/1133778514.db2.gz ZLBSHXFHGDZGAM-UHFFFAOYSA-N 0 3 343.467 3.954 20 10 EHCDHN CCC(O)(CC)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183197666 1133778521 /nfs/dbraw/zinc/77/85/21/1133778521.db2.gz ZLBSHXFHGDZGAM-UHFFFAOYSA-N 0 3 343.467 3.954 20 10 EHCDHN Cc1ccc(C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001183683332 1133840669 /nfs/dbraw/zinc/84/06/69/1133840669.db2.gz BKZVCGNLKNINAI-XLIONFOSSA-N 0 3 346.471 3.722 20 10 EHCDHN Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000786585484 1133870846 /nfs/dbraw/zinc/87/08/46/1133870846.db2.gz WLDHLDJNGJLAFQ-UNEWFSDZSA-N 0 3 329.415 3.581 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001184115749 1133899584 /nfs/dbraw/zinc/89/95/84/1133899584.db2.gz MPNVUZXKUDRBBL-UHFFFAOYSA-N 0 3 346.471 3.931 20 10 EHCDHN CCc1ccc2c(c1)CN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC001184418910 1133938803 /nfs/dbraw/zinc/93/88/03/1133938803.db2.gz UROPPWHPFJQZLH-UHFFFAOYSA-N 0 3 327.424 3.530 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525204 1134137924 /nfs/dbraw/zinc/13/79/24/1134137924.db2.gz IUQPPOAVHRLTES-CQSZACIVSA-N 0 3 340.427 3.628 20 10 EHCDHN COc1cccc(C2(NCc3cccc(C)c3O)CCOCC2)c1F ZINC000775201479 1134511503 /nfs/dbraw/zinc/51/15/03/1134511503.db2.gz KOSCCMJLRUELDY-UHFFFAOYSA-N 0 3 345.414 3.644 20 10 EHCDHN CCN(C)c1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000792162121 1134655170 /nfs/dbraw/zinc/65/51/70/1134655170.db2.gz FLTDHZBIMYHLAQ-UHFFFAOYSA-N 0 3 338.499 3.768 20 10 EHCDHN CC(C)Oc1ccccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000077507048 1134720536 /nfs/dbraw/zinc/72/05/36/1134720536.db2.gz AVQZLFVZEXKQER-UHFFFAOYSA-N 0 3 340.467 3.600 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccccc1[O-] ZINC000775412923 1134751641 /nfs/dbraw/zinc/75/16/41/1134751641.db2.gz SCBIOSBSCUZCER-RKVPGOIHSA-N 0 3 338.451 3.799 20 10 EHCDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793190716 1134872204 /nfs/dbraw/zinc/87/22/04/1134872204.db2.gz WESBPROGOJLLIO-BBRMVZONSA-N 0 3 344.421 3.897 20 10 EHCDHN C[C@H](NCc1cc(F)ccc1O)c1ccc(Br)cn1 ZINC000793334739 1134907683 /nfs/dbraw/zinc/90/76/83/1134907683.db2.gz RIVHXUIWPDDUED-VIFPVBQESA-N 0 3 325.181 3.540 20 10 EHCDHN COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)c([O-])c1 ZINC000793388700 1134921645 /nfs/dbraw/zinc/92/16/45/1134921645.db2.gz RWUSDMZAEDLVPI-LBPRGKRZSA-N 0 3 348.830 3.561 20 10 EHCDHN CCC(CC)[C@@H](C[NH2+][C@@H](CC)c1ccccc1[O-])N1CCOCC1 ZINC000775492475 1134946551 /nfs/dbraw/zinc/94/65/51/1134946551.db2.gz OBYYDMSYNSOPGO-RBUKOAKNSA-N 0 3 334.504 3.570 20 10 EHCDHN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775738833 1135598524 /nfs/dbraw/zinc/59/85/24/1135598524.db2.gz KKZKOJHNFXTUIF-CQSZACIVSA-N 0 3 339.863 3.909 20 10 EHCDHN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775738833 1135598526 /nfs/dbraw/zinc/59/85/26/1135598526.db2.gz KKZKOJHNFXTUIF-CQSZACIVSA-N 0 3 339.863 3.909 20 10 EHCDHN CC(C)Oc1ccc([C@H](C[NH2+]Cc2ccccc2[O-])N(C)C)cc1 ZINC000808428055 1135660943 /nfs/dbraw/zinc/66/09/43/1135660943.db2.gz OOQOHZZUTXAMHE-IBGZPJMESA-N 0 3 328.456 3.572 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1[O-] ZINC000808681043 1135710885 /nfs/dbraw/zinc/71/08/85/1135710885.db2.gz UVUMGWJEZRDGFS-ZBFHGGJFSA-N 0 3 333.859 3.856 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c1[O-] ZINC000808674417 1135714355 /nfs/dbraw/zinc/71/43/55/1135714355.db2.gz GVXWDWPEKTXNJV-NSHDSACASA-N 0 3 333.819 3.695 20 10 EHCDHN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808679671 1135715589 /nfs/dbraw/zinc/71/55/89/1135715589.db2.gz WRVCGESYWYYJTG-WBMJQRKESA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c([O-])c1 ZINC000808728656 1135723506 /nfs/dbraw/zinc/72/35/06/1135723506.db2.gz QKGZGIMZQYUJMW-CYBMUJFWSA-N 0 3 339.395 3.983 20 10 EHCDHN C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)ccc1[O-] ZINC000808728286 1135723597 /nfs/dbraw/zinc/72/35/97/1135723597.db2.gz NLNGVPDOSMZPOB-LLVKDONJSA-N 0 3 343.358 3.814 20 10 EHCDHN Cc1ccc(C)c(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775836290 1135796167 /nfs/dbraw/zinc/79/61/67/1135796167.db2.gz LXBUEKPMJKSDNV-INIZCTEOSA-N 0 3 325.456 3.659 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000809702601 1135869983 /nfs/dbraw/zinc/86/99/83/1135869983.db2.gz WLSJXRSHYSQQDR-YVEFUNNKSA-N 0 3 335.831 3.574 20 10 EHCDHN Fc1cc(CN2CCC=C(c3ccco3)C2)ccc1N1CCOCC1 ZINC000809689119 1135872191 /nfs/dbraw/zinc/87/21/91/1135872191.db2.gz UXDYFCJMMWKUKS-UHFFFAOYSA-N 0 3 342.414 3.545 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809757807 1135887850 /nfs/dbraw/zinc/88/78/50/1135887850.db2.gz YHNDPTNKJWFIJV-INIZCTEOSA-N 0 3 326.223 3.912 20 10 EHCDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2cc(Cl)cc(F)c2[O-])C1 ZINC001199328689 1135898087 /nfs/dbraw/zinc/89/80/87/1135898087.db2.gz DLCXVKQQNNPRBD-BETUJISGSA-N 0 3 328.859 3.642 20 10 EHCDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cc(Cl)cc(F)c2[O-])C1 ZINC001199328689 1135898091 /nfs/dbraw/zinc/89/80/91/1135898091.db2.gz DLCXVKQQNNPRBD-BETUJISGSA-N 0 3 328.859 3.642 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc3c2OC(C)(C)C3)c1 ZINC000809971914 1135904904 /nfs/dbraw/zinc/90/49/04/1135904904.db2.gz OFGMCTFCPJWCSI-CYBMUJFWSA-N 0 3 327.424 3.965 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209794 1135943294 /nfs/dbraw/zinc/94/32/94/1135943294.db2.gz VVCBOEXVWSOIFM-MLGOLLRUSA-N 0 3 342.405 3.936 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000810258949 1135944267 /nfs/dbraw/zinc/94/42/67/1135944267.db2.gz AGHZCDHGNIBOEI-ABAIWWIYSA-N 0 3 342.277 3.665 20 10 EHCDHN CC(C)Nc1ccc(Nc2ccccc2CN2CCN(C)CC2)cc1 ZINC001201497545 1136028888 /nfs/dbraw/zinc/02/88/88/1136028888.db2.gz HCHHPMBKIQBNDS-UHFFFAOYSA-N 0 3 338.499 3.998 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CC1Cc2ccccc2C1)C[C@H]1CCCO1 ZINC000811454247 1136089014 /nfs/dbraw/zinc/08/90/14/1136089014.db2.gz XUQUAJUBXILADP-OAQYLSRUSA-N 0 3 337.463 3.788 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CC1Cc2ccccc2C1)C[C@H]1CCCO1 ZINC000811454247 1136089018 /nfs/dbraw/zinc/08/90/18/1136089018.db2.gz XUQUAJUBXILADP-OAQYLSRUSA-N 0 3 337.463 3.788 20 10 EHCDHN COc1ccc(N2CC[C@H](NCc3cnc(C4CCC4)s3)C2)cc1 ZINC000850347368 1136238711 /nfs/dbraw/zinc/23/87/11/1136238711.db2.gz RDOUXTKPSMNQJJ-HNNXBMFYSA-N 0 3 343.496 3.788 20 10 EHCDHN CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](C)OC ZINC000812806953 1136254346 /nfs/dbraw/zinc/25/43/46/1136254346.db2.gz ASFGUABXSYNYHV-INIZCTEOSA-N 0 3 329.440 3.828 20 10 EHCDHN CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](C)OC ZINC000812806953 1136254349 /nfs/dbraw/zinc/25/43/49/1136254349.db2.gz ASFGUABXSYNYHV-INIZCTEOSA-N 0 3 329.440 3.828 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850504891 1136273332 /nfs/dbraw/zinc/27/33/32/1136273332.db2.gz HNSFJBLXMNBDSS-BDJLRTHQSA-N 0 3 347.377 3.942 20 10 EHCDHN COc1ccsc1[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850567615 1136287818 /nfs/dbraw/zinc/28/78/18/1136287818.db2.gz HHAPCXIWEMCGIW-AWEZNQCLSA-N 0 3 346.496 3.569 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000850580268 1136292321 /nfs/dbraw/zinc/29/23/21/1136292321.db2.gz JOZXWFIWCCIPIA-QLJPJBMISA-N 0 3 325.330 3.502 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000850580294 1136292415 /nfs/dbraw/zinc/29/24/15/1136292415.db2.gz JYHATWINWVBBAF-RDJZCZTQSA-N 0 3 339.357 3.892 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(OC)cc3c2O[C@H](C)C3)c1 ZINC000813331980 1136319004 /nfs/dbraw/zinc/31/90/04/1136319004.db2.gz YTSKCQFFDVOCDQ-OLZOCXBDSA-N 0 3 343.423 3.584 20 10 EHCDHN CCOC(=O)CC(C)(C)CN(Cc1ccco1)Cc1ccccc1O ZINC000813334736 1136319685 /nfs/dbraw/zinc/31/96/85/1136319685.db2.gz XASQHSYSFRKZBU-UHFFFAOYSA-N 0 3 345.439 3.967 20 10 EHCDHN COc1cccc([C@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c1O ZINC000853242852 1136521612 /nfs/dbraw/zinc/52/16/12/1136521612.db2.gz UDMHSQCRYYKROC-WMLDXEAASA-N 0 3 349.434 3.925 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC4(CCC4)OC[C@@H]3C)c2c1 ZINC000853542020 1136542763 /nfs/dbraw/zinc/54/27/63/1136542763.db2.gz KSKPSMZNLBQLSJ-AWEZNQCLSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC4(CCC4)OC[C@@H]3C)c2c1 ZINC000853542020 1136542766 /nfs/dbraw/zinc/54/27/66/1136542766.db2.gz KSKPSMZNLBQLSJ-AWEZNQCLSA-N 0 3 327.424 3.697 20 10 EHCDHN CC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C(=O)OC)cc1 ZINC000815573974 1136618048 /nfs/dbraw/zinc/61/80/48/1136618048.db2.gz ZLITYDCXYSMRFZ-SFHVURJKSA-N 0 3 325.408 3.649 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CC=CCC1 ZINC000815621888 1136620289 /nfs/dbraw/zinc/62/02/89/1136620289.db2.gz GMNVKJYFQGWHGR-OAQYLSRUSA-N 0 3 336.479 3.918 20 10 EHCDHN [O-]c1c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521253 1136727033 /nfs/dbraw/zinc/72/70/33/1136727033.db2.gz KRMPHLQOUIKEAU-DYESRHJHSA-N 0 3 336.479 3.994 20 10 EHCDHN [O-]c1c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521253 1136727035 /nfs/dbraw/zinc/72/70/35/1136727035.db2.gz KRMPHLQOUIKEAU-DYESRHJHSA-N 0 3 336.479 3.994 20 10 EHCDHN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858592462 1136981293 /nfs/dbraw/zinc/98/12/93/1136981293.db2.gz CJZJWZSCOGANBC-GMXVVIOVSA-N 0 3 328.250 3.539 20 10 EHCDHN CC[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc(C)cc1[O-] ZINC000858594865 1136981762 /nfs/dbraw/zinc/98/17/62/1136981762.db2.gz IOURNRJFOBHKMJ-UYAOXDASSA-N 0 3 343.467 3.709 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)c2c1 ZINC000794646867 1137221081 /nfs/dbraw/zinc/22/10/81/1137221081.db2.gz KMPLKRATGSDYNA-RBZFPXEDSA-N 0 3 327.424 3.553 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)c2c1 ZINC000794646867 1137221082 /nfs/dbraw/zinc/22/10/82/1137221082.db2.gz KMPLKRATGSDYNA-RBZFPXEDSA-N 0 3 327.424 3.553 20 10 EHCDHN CC[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794808496 1137257529 /nfs/dbraw/zinc/25/75/29/1137257529.db2.gz ODTRSDTUTAEEFD-PZJWPPBQSA-N 0 3 325.452 3.965 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1ccc(C)cc1[O-] ZINC000794813703 1137262472 /nfs/dbraw/zinc/26/24/72/1137262472.db2.gz BTJKBYGRVFUWDL-CRAIPNDOSA-N 0 3 327.424 3.754 20 10 EHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794819160 1137266055 /nfs/dbraw/zinc/26/60/55/1137266055.db2.gz VTFBRLCFGDCRCK-MNEFBYGVSA-N 0 3 338.451 3.935 20 10 EHCDHN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)c1ccnn1C ZINC000865838157 1137315812 /nfs/dbraw/zinc/31/58/12/1137315812.db2.gz QLEOOUUOYNZWQE-HNNXBMFYSA-N 0 3 340.496 3.969 20 10 EHCDHN COc1cccc([C@H](C)N[C@H]2CCOc3c(OC)cccc32)c1O ZINC000846151295 1137336265 /nfs/dbraw/zinc/33/62/65/1137336265.db2.gz ZBIGJCDSKZWHBS-WFASDCNBSA-N 0 3 329.396 3.584 20 10 EHCDHN COc1cccc([C@@H](C)NCc2ccnc(C(F)(F)F)c2)c1O ZINC000846168666 1137337668 /nfs/dbraw/zinc/33/76/68/1137337668.db2.gz CBHGHFJEXHRGAX-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN CCOc1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cc1 ZINC001144721384 1137338648 /nfs/dbraw/zinc/33/86/48/1137338648.db2.gz KCTURPQINOKWHY-UHFFFAOYSA-N 0 3 335.451 3.889 20 10 EHCDHN C[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407758 1137352557 /nfs/dbraw/zinc/35/25/57/1137352557.db2.gz XKJDQHQMRXJTPN-NHYWBVRUSA-N 0 3 325.330 3.795 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccccc1[O-] ZINC000866422898 1137353686 /nfs/dbraw/zinc/35/36/86/1137353686.db2.gz STVALOFBAUWHNC-SFHVURJKSA-N 0 3 327.424 3.853 20 10 EHCDHN Cc1c([C@H](C)NCc2ccc(N(C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000122446208 1137439502 /nfs/dbraw/zinc/43/95/02/1137439502.db2.gz NRLSWKQRBLUSPX-ZDUSSCGKSA-N 0 3 331.391 3.959 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC001171871291 1137514936 /nfs/dbraw/zinc/51/49/36/1137514936.db2.gz KMJGTHCIIGADMW-AEFFLSMTSA-N 0 3 338.451 3.738 20 10 EHCDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001171959982 1137519214 /nfs/dbraw/zinc/51/92/14/1137519214.db2.gz LDEIZXATZZYIQS-LLVKDONJSA-N 0 3 325.330 3.837 20 10 EHCDHN COc1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123496688 1137523520 /nfs/dbraw/zinc/52/35/20/1137523520.db2.gz QJIXDNQYLRPPBZ-GOSISDBHSA-N 0 3 327.424 3.582 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2nccnc2c1)C[C@@H]1CCCO1 ZINC000876532087 1137654751 /nfs/dbraw/zinc/65/47/51/1137654751.db2.gz XVQPIQODDQJRFL-SFHVURJKSA-N 0 3 349.434 3.517 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2nccnc2c1)C[C@@H]1CCCO1 ZINC000876532087 1137654752 /nfs/dbraw/zinc/65/47/52/1137654752.db2.gz XVQPIQODDQJRFL-SFHVURJKSA-N 0 3 349.434 3.517 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000877047851 1137668726 /nfs/dbraw/zinc/66/87/26/1137668726.db2.gz FHNBEGBCVAYENC-UHFFFAOYSA-N 0 3 334.460 3.626 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000877483785 1137677863 /nfs/dbraw/zinc/67/78/63/1137677863.db2.gz POXVFJYJTSVJRB-HOCLYGCPSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1ccc(C[NH+]2CCC3(CCN3C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877596097 1137682337 /nfs/dbraw/zinc/68/23/37/1137682337.db2.gz NCRZHLZVWACJEZ-UHFFFAOYSA-N 0 3 346.471 3.676 20 10 EHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000119399058 1137941270 /nfs/dbraw/zinc/94/12/70/1137941270.db2.gz GHFJWTWJOGVDDE-HNNXBMFYSA-N 0 3 346.421 3.961 20 10 EHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CCO)c2ccc(OC)cc2)cc1 ZINC000120200159 1137947263 /nfs/dbraw/zinc/94/72/63/1137947263.db2.gz KVWJMDXDPZSUJO-KKSFZXQISA-N 0 3 342.483 3.926 20 10 EHCDHN COc1cccc(CN(C)Cc2ccccc2N2CCCC2)c1O ZINC000121237203 1137956127 /nfs/dbraw/zinc/95/61/27/1137956127.db2.gz FCXAVHIBOXNMNX-UHFFFAOYSA-N 0 3 326.440 3.633 20 10 EHCDHN COCc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1OC ZINC000122461556 1138258675 /nfs/dbraw/zinc/25/86/75/1138258675.db2.gz FXESIVYZWDHJFX-CQSZACIVSA-N 0 3 346.446 3.898 20 10 EHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000264955739 1138685821 /nfs/dbraw/zinc/68/58/21/1138685821.db2.gz MNEVYZLHGSHJPJ-ZDUSSCGKSA-N 0 3 341.430 3.627 20 10 EHCDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000178018521 1139663735 /nfs/dbraw/zinc/66/37/35/1139663735.db2.gz QZLALYBEELEEEZ-INIZCTEOSA-N 0 3 326.488 3.816 20 10 EHCDHN C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000183458711 1140039591 /nfs/dbraw/zinc/03/95/91/1140039591.db2.gz NWJQJBKEPCRPGS-RNODOKPDSA-N 0 3 325.408 3.965 20 10 EHCDHN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1[O-] ZINC000183625757 1140050604 /nfs/dbraw/zinc/05/06/04/1140050604.db2.gz WWRNQMIVTMBCSC-HZPDHXFCSA-N 0 3 325.456 3.663 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4[nH]ccc4c3)c2)CC1 ZINC000184268543 1140091019 /nfs/dbraw/zinc/09/10/19/1140091019.db2.gz ZSICYIRFDDBNOA-UHFFFAOYSA-N 0 3 348.450 3.562 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000184709972 1140116219 /nfs/dbraw/zinc/11/62/19/1140116219.db2.gz IQCPISUEFVNSMG-AWEZNQCLSA-N 0 3 325.836 3.636 20 10 EHCDHN COc1cc2c(cc1CN[C@H](C)c1cc(C)ccc1O)O[C@@H](C)C2 ZINC000184974960 1140128577 /nfs/dbraw/zinc/12/85/77/1140128577.db2.gz VNQDSAGESOJYFQ-UONOGXRCSA-N 0 3 327.424 3.883 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000185206780 1140140160 /nfs/dbraw/zinc/14/01/60/1140140160.db2.gz UNWPLACTWNGSSO-UXHICEINSA-N 0 3 340.467 3.506 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1[O-] ZINC000185208990 1140140218 /nfs/dbraw/zinc/14/02/18/1140140218.db2.gz NNOYPPVBNROHNN-LJQANCHMSA-N 0 3 338.451 3.756 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000185206760 1140140224 /nfs/dbraw/zinc/14/02/24/1140140224.db2.gz UNWPLACTWNGSSO-PMACEKPBSA-N 0 3 340.467 3.506 20 10 EHCDHN COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185269656 1140142641 /nfs/dbraw/zinc/14/26/41/1140142641.db2.gz MIPITDGMUFZAEA-DLBZAZTESA-N 0 3 340.467 3.886 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000186137041 1140188232 /nfs/dbraw/zinc/18/82/32/1140188232.db2.gz XHGGYDWNLWHOID-IBGZPJMESA-N 0 3 338.451 3.738 20 10 EHCDHN Cn1cc([C@H]2CSCC[N@@H+]2Cc2c([O-])ccc3ccccc32)cn1 ZINC000189875746 1140369039 /nfs/dbraw/zinc/36/90/39/1140369039.db2.gz CDZHJUPUMGAFBR-GOSISDBHSA-N 0 3 339.464 3.569 20 10 EHCDHN Cn1cc([C@H]2CSCC[N@H+]2Cc2c([O-])ccc3ccccc32)cn1 ZINC000189875746 1140369046 /nfs/dbraw/zinc/36/90/46/1140369046.db2.gz CDZHJUPUMGAFBR-GOSISDBHSA-N 0 3 339.464 3.569 20 10 EHCDHN Cn1cc([C@H]2CSCCN2Cc2c(O)ccc3ccccc32)cn1 ZINC000189875746 1140369051 /nfs/dbraw/zinc/36/90/51/1140369051.db2.gz CDZHJUPUMGAFBR-GOSISDBHSA-N 0 3 339.464 3.569 20 10 EHCDHN OCC1CCN(c2ccc(CN[C@H]3CCCc4occc43)cc2)CC1 ZINC000192723577 1140546327 /nfs/dbraw/zinc/54/63/27/1140546327.db2.gz MJMYDIBAOSKLGG-FQEVSTJZSA-N 0 3 340.467 3.656 20 10 EHCDHN COc1cccc(CN2CCC(O)(c3ccccc3Cl)CC2)c1O ZINC000194945877 1140626615 /nfs/dbraw/zinc/62/66/15/1140626615.db2.gz NWYQRTMBGOLECR-UHFFFAOYSA-N 0 3 347.842 3.538 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000154964554 1016003176 /nfs/dbraw/zinc/00/31/76/1016003176.db2.gz FASVDBXFUQBSOR-UXHICEINSA-N 0 3 340.467 3.506 20 10 EHCDHN Cc1ccnc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c1 ZINC000165864541 1016543124 /nfs/dbraw/zinc/54/31/24/1016543124.db2.gz VXIOPDLXYGAGSJ-UHFFFAOYSA-N 0 3 333.435 3.571 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1[O-] ZINC000275369371 1016589209 /nfs/dbraw/zinc/58/92/09/1016589209.db2.gz VISYRMABBITGCL-NEPJUHHUSA-N 0 3 328.250 3.540 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000091958732 1032746370 /nfs/dbraw/zinc/74/63/70/1032746370.db2.gz OCMHJFSYIQEWHQ-APWZRJJASA-N 0 3 345.439 3.862 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000091958732 1032746386 /nfs/dbraw/zinc/74/63/86/1032746386.db2.gz OCMHJFSYIQEWHQ-APWZRJJASA-N 0 3 345.439 3.862 20 10 EHCDHN COc1ccc(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)c([O-])c1OC ZINC000894863461 1021512633 /nfs/dbraw/zinc/51/26/33/1021512633.db2.gz RLAPGDHGZJEUOO-CYBMUJFWSA-N 0 3 333.403 3.612 20 10 EHCDHN COc1ccc(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)c([O-])c1OC ZINC000894863461 1021512646 /nfs/dbraw/zinc/51/26/46/1021512646.db2.gz RLAPGDHGZJEUOO-CYBMUJFWSA-N 0 3 333.403 3.612 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000157919033 1033163956 /nfs/dbraw/zinc/16/39/56/1033163956.db2.gz PDMATAAOMUJRTK-DYESRHJHSA-N 0 3 336.479 3.994 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000157919033 1033163972 /nfs/dbraw/zinc/16/39/72/1033163972.db2.gz PDMATAAOMUJRTK-DYESRHJHSA-N 0 3 336.479 3.994 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccccc1[O-] ZINC000157926938 1033168213 /nfs/dbraw/zinc/16/82/13/1033168213.db2.gz BHSOYDIZLWFHJN-SFHVURJKSA-N 0 3 325.456 3.937 20 10 EHCDHN Cc1noc(C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])c2ccccc2)n1 ZINC000277151957 1023885386 /nfs/dbraw/zinc/88/53/86/1023885386.db2.gz QIVJASLDWQTLRE-SJKOYZFVSA-N 0 3 341.386 3.857 20 10 EHCDHN CCCOc1ccc(CNCc2ccc3c(=O)cc[nH]c3c2)cc1C ZINC000895206295 1023970122 /nfs/dbraw/zinc/97/01/22/1023970122.db2.gz JAGZGZRLHAFRMP-UHFFFAOYSA-N 0 3 336.435 3.915 20 10 EHCDHN COc1ccc(CN2CC[C@H](C)C[C@@H]2c2ccco2)c(O)c1OC ZINC000892154418 1025051235 /nfs/dbraw/zinc/05/12/35/1025051235.db2.gz YEQMSGSSGBLLGD-DZGCQCFKSA-N 0 3 331.412 3.976 20 10 EHCDHN COc1ccc(CN[C@H](c2ncccc2C)C(C)(C)C)c(O)c1OC ZINC000897993562 1033264835 /nfs/dbraw/zinc/26/48/35/1033264835.db2.gz HIQJZLFEHZKQPF-LJQANCHMSA-N 0 3 344.455 3.990 20 10 EHCDHN C[C@H](NCc1ccncc1OCC(F)(F)F)c1ccccc1O ZINC000281825896 1025545453 /nfs/dbraw/zinc/54/54/53/1025545453.db2.gz ZYLJIWCRHKHNRS-NSHDSACASA-N 0 3 326.318 3.579 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000897265918 1026613021 /nfs/dbraw/zinc/61/30/21/1026613021.db2.gz VBEOYDIOLVRQHT-LJQANCHMSA-N 0 3 339.435 3.551 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)c([O-])c1 ZINC000897299364 1027403903 /nfs/dbraw/zinc/40/39/03/1027403903.db2.gz ZVDYCZMRZYPPRX-CQSZACIVSA-N 0 3 332.469 3.620 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@H](Cc3nc(C)cs3)C2)c([O-])c1 ZINC000897299364 1027403918 /nfs/dbraw/zinc/40/39/18/1027403918.db2.gz ZVDYCZMRZYPPRX-CQSZACIVSA-N 0 3 332.469 3.620 20 10 EHCDHN CCOc1ccccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000006998199 1027770656 /nfs/dbraw/zinc/77/06/56/1027770656.db2.gz XYNRMVICYAPWOK-UHFFFAOYSA-N 0 3 340.467 3.730 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000195136733 1032048363 /nfs/dbraw/zinc/04/83/63/1032048363.db2.gz TVTGWUHIIANSEE-NVXWUHKLSA-N 0 3 328.431 3.704 20 10 EHCDHN CC[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000310051901 1034204709 /nfs/dbraw/zinc/20/47/09/1034204709.db2.gz DUMIOPPNHFIEHF-INIZCTEOSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCc3ncc(C)s3)c2c1 ZINC000165220298 1036334423 /nfs/dbraw/zinc/33/44/23/1036334423.db2.gz XKODCIYSIZROGB-UHFFFAOYSA-N 0 3 342.464 3.993 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCc3ncc(C)s3)c2c1 ZINC000165220298 1036334432 /nfs/dbraw/zinc/33/44/32/1036334432.db2.gz XKODCIYSIZROGB-UHFFFAOYSA-N 0 3 342.464 3.993 20 10 EHCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N2CCCC2)o1 ZINC000185298408 1126857131 /nfs/dbraw/zinc/85/71/31/1126857131.db2.gz SRJZTIZVWMWHRM-YOEHRIQHSA-N 0 3 332.419 3.920 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185293023 1126859140 /nfs/dbraw/zinc/85/91/40/1126859140.db2.gz WJLBVRLBDMDIGI-HZPDHXFCSA-N 0 3 348.487 3.998 20 10 EHCDHN COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185682178 1126977641 /nfs/dbraw/zinc/97/76/41/1126977641.db2.gz FBPYVFSUXIZZTH-AWEZNQCLSA-N 0 3 333.403 3.716 20 10 EHCDHN COc1ccc([C@@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3[O-])CCO2)cc1 ZINC001168593781 1128205542 /nfs/dbraw/zinc/20/55/42/1128205542.db2.gz FANKXVSGAONJMY-IIMJZQEZSA-N 0 3 327.424 3.972 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCCO2 ZINC000921487692 1123546535 /nfs/dbraw/zinc/54/65/35/1123546535.db2.gz UDMZOSLDQFUBSV-CQSZACIVSA-N 0 3 325.408 3.634 20 10 EHCDHN CC1(c2cccc(CNCc3ccc4c(c3)CCCO4)c2)OCCO1 ZINC000922145225 1129152986 /nfs/dbraw/zinc/15/29/86/1129152986.db2.gz QQYJNIDEYCIXGP-UHFFFAOYSA-N 0 3 339.435 3.521 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000180246864 1123969564 /nfs/dbraw/zinc/96/95/64/1123969564.db2.gz FNYUDLHTAQCGDG-IBGZPJMESA-N 0 3 341.382 3.860 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000180246864 1123969567 /nfs/dbraw/zinc/96/95/67/1123969567.db2.gz FNYUDLHTAQCGDG-IBGZPJMESA-N 0 3 341.382 3.860 20 10 EHCDHN COc1cccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)c1O ZINC000735506067 1131351575 /nfs/dbraw/zinc/35/15/75/1131351575.db2.gz CIZNJTARCRSEGN-UHFFFAOYSA-N 0 3 343.814 3.530 20 10 EHCDHN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766002810 1129692853 /nfs/dbraw/zinc/69/28/53/1129692853.db2.gz RBSCUBAAWNXFEG-UZLBHIALSA-N 0 3 337.467 3.599 20 10 EHCDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1C ZINC000742381283 1131712937 /nfs/dbraw/zinc/71/29/37/1131712937.db2.gz YANBPSQFDXRMOO-LJQANCHMSA-N 0 3 338.451 3.597 20 10 EHCDHN Cc1ccc(Nc2cnn(CCN(C)C)c2)c(C(=O)c2ccccc2)c1 ZINC001176450911 1132937927 /nfs/dbraw/zinc/93/79/27/1132937927.db2.gz WWZGSJFPIWGWFS-UHFFFAOYSA-N 0 3 348.450 3.728 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000768193233 1133111422 /nfs/dbraw/zinc/11/14/22/1133111422.db2.gz XFORVSNDTDSGLD-MRXNPFEDSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000768193233 1133111423 /nfs/dbraw/zinc/11/14/23/1133111423.db2.gz XFORVSNDTDSGLD-MRXNPFEDSA-N 0 3 341.407 3.509 20 10 EHCDHN CCC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440052 1133137780 /nfs/dbraw/zinc/13/77/80/1133137780.db2.gz RFMTWMHVJRUOAA-LJQANCHMSA-N 0 3 327.424 3.539 20 10 EHCDHN CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440052 1133137782 /nfs/dbraw/zinc/13/77/82/1133137782.db2.gz RFMTWMHVJRUOAA-LJQANCHMSA-N 0 3 327.424 3.539 20 10 EHCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1C ZINC000768448802 1133140427 /nfs/dbraw/zinc/14/04/27/1133140427.db2.gz XNRCWRFHTOBNLN-QUCCMNQESA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1C ZINC000768448802 1133140430 /nfs/dbraw/zinc/14/04/30/1133140430.db2.gz XNRCWRFHTOBNLN-QUCCMNQESA-N 0 3 339.435 3.772 20 10 EHCDHN COC(=O)c1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000773754433 1133183548 /nfs/dbraw/zinc/18/35/48/1133183548.db2.gz DTHLYSQJQLNMDG-UHFFFAOYSA-N 0 3 340.423 3.519 20 10 EHCDHN COC(=O)c1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000773754433 1133183550 /nfs/dbraw/zinc/18/35/50/1133183550.db2.gz DTHLYSQJQLNMDG-UHFFFAOYSA-N 0 3 340.423 3.519 20 10 EHCDHN CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)Cc1ccccc1O ZINC000768872957 1133194430 /nfs/dbraw/zinc/19/44/30/1133194430.db2.gz MWYVHIFFRCBXQG-UHFFFAOYSA-N 0 3 343.427 3.766 20 10 EHCDHN CCCNC(=O)CN(CCC)Cc1cc(-c2ccccc2)ccc1O ZINC000768928847 1133206205 /nfs/dbraw/zinc/20/62/05/1133206205.db2.gz DTWYORROCXYVLZ-UHFFFAOYSA-N 0 3 340.467 3.797 20 10 EHCDHN CCCNC(=O)C[N@H+](CCC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768928847 1133206208 /nfs/dbraw/zinc/20/62/08/1133206208.db2.gz DTWYORROCXYVLZ-UHFFFAOYSA-N 0 3 340.467 3.797 20 10 EHCDHN CCCNC(=O)C[N@@H+](CCC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768928847 1133206211 /nfs/dbraw/zinc/20/62/11/1133206211.db2.gz DTWYORROCXYVLZ-UHFFFAOYSA-N 0 3 340.467 3.797 20 10 EHCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC001179193960 1133237394 /nfs/dbraw/zinc/23/73/94/1133237394.db2.gz ONVFZFKHLWIXDB-GFCCVEGCSA-N 0 3 326.843 3.681 20 10 EHCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000769417958 1133280246 /nfs/dbraw/zinc/28/02/46/1133280246.db2.gz YENNPJJWIBNLBT-DMDPSCGWSA-N 0 3 338.423 3.582 20 10 EHCDHN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447727 1133292361 /nfs/dbraw/zinc/29/23/61/1133292361.db2.gz JZCJQWOXZVJYPC-MFKMUULPSA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447727 1133292364 /nfs/dbraw/zinc/29/23/64/1133292364.db2.gz JZCJQWOXZVJYPC-MFKMUULPSA-N 0 3 328.250 3.784 20 10 EHCDHN COc1ccc(-n2c(C)cc(CN(C)CC3=CCCOC3)c2C)cc1 ZINC000769528331 1133309399 /nfs/dbraw/zinc/30/93/99/1133309399.db2.gz VKDBFOJDSBCXPI-UHFFFAOYSA-N 0 3 340.467 3.881 20 10 EHCDHN COc1ccc(N2CCCN(Cc3cccc(C)c3F)CC2)cc1 ZINC001179969319 1133315891 /nfs/dbraw/zinc/31/58/91/1133315891.db2.gz AYAIFRBNLLURDP-UHFFFAOYSA-N 0 3 328.431 3.855 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000769929585 1133368000 /nfs/dbraw/zinc/36/80/00/1133368000.db2.gz CNHOXQNJSITCCK-MGPUTAFESA-N 0 3 328.456 3.572 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)cc3F)c2)CC1 ZINC000770152781 1133389049 /nfs/dbraw/zinc/38/90/49/1133389049.db2.gz JRLOQBYLTZQEHG-UHFFFAOYSA-N 0 3 341.430 3.528 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c([O-])c1 ZINC000770747853 1133468173 /nfs/dbraw/zinc/46/81/73/1133468173.db2.gz QVZWMDPJOIRWTG-ORAYPTAESA-N 0 3 333.403 3.796 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)c([O-])c1 ZINC001183239019 1133780031 /nfs/dbraw/zinc/78/00/31/1133780031.db2.gz RXGMKFYNWMCAFA-HNNXBMFYSA-N 0 3 334.822 3.862 20 10 EHCDHN Cc1cc(C(=O)CSCCN(C)C)c(C)n1-c1ccc(C)cc1 ZINC001188988613 1134529229 /nfs/dbraw/zinc/52/92/29/1134529229.db2.gz RTLKYBWCVKLFTL-UHFFFAOYSA-N 0 3 330.497 3.880 20 10 EHCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000793387462 1134920491 /nfs/dbraw/zinc/92/04/91/1134920491.db2.gz FBTXILKQSUINQA-KGLIPLIRSA-N 0 3 345.439 3.700 20 10 EHCDHN CCC(CC)[C@H](C[NH2+][C@H](CC)c1ccccc1[O-])N1CCOCC1 ZINC000775492468 1134946726 /nfs/dbraw/zinc/94/67/26/1134946726.db2.gz OBYYDMSYNSOPGO-MOPGFXCFSA-N 0 3 334.504 3.570 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000793599142 1134967024 /nfs/dbraw/zinc/96/70/24/1134967024.db2.gz GEEOEZMHVNKNLY-LBPRGKRZSA-N 0 3 342.867 3.747 20 10 EHCDHN CCOc1ccc(N2CCN(CCCc3cccc(F)c3)CC2)cc1 ZINC001192412377 1135016235 /nfs/dbraw/zinc/01/62/35/1135016235.db2.gz HGGQAEKJAKJHKV-UHFFFAOYSA-N 0 3 342.458 3.979 20 10 EHCDHN CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775738831 1135598788 /nfs/dbraw/zinc/59/87/88/1135598788.db2.gz KKZKOJHNFXTUIF-AWEZNQCLSA-N 0 3 339.863 3.909 20 10 EHCDHN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775738831 1135598790 /nfs/dbraw/zinc/59/87/90/1135598790.db2.gz KKZKOJHNFXTUIF-AWEZNQCLSA-N 0 3 339.863 3.909 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000808690112 1135711544 /nfs/dbraw/zinc/71/15/44/1135711544.db2.gz AIKXFWRKWJMNKD-GFCCVEGCSA-N 0 3 342.867 3.919 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000808675539 1135714007 /nfs/dbraw/zinc/71/40/07/1135714007.db2.gz KMTFWQMYFAMNMW-XHDPSFHLSA-N 0 3 331.847 3.661 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1[O-] ZINC000808675437 1135714636 /nfs/dbraw/zinc/71/46/36/1135714636.db2.gz GRMCXKBEFSGBES-ZDUSSCGKSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1[O-] ZINC000808695006 1135724276 /nfs/dbraw/zinc/72/42/76/1135724276.db2.gz IUWIVEXRYZLCBO-CYBMUJFWSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1[O-] ZINC000808694950 1135724288 /nfs/dbraw/zinc/72/42/88/1135724288.db2.gz IEPUOEDVJYVXPP-CYBMUJFWSA-N 0 3 338.879 3.653 20 10 EHCDHN C[C@H](c1ccccc1)N(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833556 1135789796 /nfs/dbraw/zinc/78/97/96/1135789796.db2.gz DQGKGQWISQLVOM-DLBZAZTESA-N 0 3 339.483 3.623 20 10 EHCDHN CCOC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000776021215 1135928070 /nfs/dbraw/zinc/92/80/70/1135928070.db2.gz YLZDGZRRTDMMKM-QGZVFWFLSA-N 0 3 343.851 3.512 20 10 EHCDHN COC1CCC(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000776232171 1136088365 /nfs/dbraw/zinc/08/83/65/1136088365.db2.gz QROYOBNBWVYXQK-UHFFFAOYSA-N 0 3 342.277 3.758 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc3c(c2)COC3)c1[O-] ZINC000776251270 1136101454 /nfs/dbraw/zinc/10/14/54/1136101454.db2.gz TYCKSBJJQCYAPM-UHFFFAOYSA-N 0 3 348.240 3.783 20 10 EHCDHN CCN(CC)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000776265001 1136115141 /nfs/dbraw/zinc/11/51/41/1136115141.db2.gz LUNQGVCTWHNQMF-FQEVSTJZSA-N 0 3 326.484 3.998 20 10 EHCDHN Cc1cc(CCNCc2cn(C3CCC3)nn2)c(C)n1-c1ccccc1 ZINC000850015237 1136199028 /nfs/dbraw/zinc/19/90/28/1136199028.db2.gz YCOBUFXJGINPHC-UHFFFAOYSA-N 0 3 349.482 3.743 20 10 EHCDHN Cn1ncc(C2CCC2)c1CNCc1ccc(N2CCCCC2)cc1 ZINC000850095834 1136209979 /nfs/dbraw/zinc/20/99/79/1136209979.db2.gz MKEABPJKYVMYGQ-UHFFFAOYSA-N 0 3 338.499 3.968 20 10 EHCDHN COC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850361629 1136241266 /nfs/dbraw/zinc/24/12/66/1136241266.db2.gz ABHWSZKDCCDPQQ-IZRJCCQOSA-N 0 3 340.467 3.752 20 10 EHCDHN CO[C@@](C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000812772381 1136244848 /nfs/dbraw/zinc/24/48/48/1136244848.db2.gz LMKJVHGINNYKRM-NRFANRHFSA-N 0 3 341.451 3.876 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cccc(OC3CC3)c2F)c1O ZINC000850520658 1136276465 /nfs/dbraw/zinc/27/64/65/1136276465.db2.gz FGECFZQLQUOEDE-GFCCVEGCSA-N 0 3 331.387 3.932 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c1[O-] ZINC000850545885 1136282653 /nfs/dbraw/zinc/28/26/53/1136282653.db2.gz UJFAUBGIBDXXNY-DGCLKSJQSA-N 0 3 342.277 3.522 20 10 EHCDHN C[C@@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850572118 1136289776 /nfs/dbraw/zinc/28/97/76/1136289776.db2.gz BFICPDGWKBZZPJ-VNVHMNPZSA-N 0 3 329.415 3.834 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1[O-] ZINC000109772093 1136340149 /nfs/dbraw/zinc/34/01/49/1136340149.db2.gz OIEQOHCXQAPQBH-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1[O-] ZINC000109772093 1136340151 /nfs/dbraw/zinc/34/01/51/1136340151.db2.gz OIEQOHCXQAPQBH-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2cc3ccccc3n(C)c2=O)cc1 ZINC000813881948 1136372641 /nfs/dbraw/zinc/37/26/41/1136372641.db2.gz XTPZOSWNHDNBGU-INIZCTEOSA-N 0 3 349.478 3.845 20 10 EHCDHN CCCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000216738519 1136385287 /nfs/dbraw/zinc/38/52/87/1136385287.db2.gz GSOWPYSPTDHSIG-FUHWJXTLSA-N 0 3 332.488 3.641 20 10 EHCDHN CC(C)CNC(=O)CCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000851840420 1136412734 /nfs/dbraw/zinc/41/27/34/1136412734.db2.gz GLAOIPPUPPGJLT-UHFFFAOYSA-N 0 3 344.455 3.540 20 10 EHCDHN CC(C)CNC(=O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000851840420 1136412738 /nfs/dbraw/zinc/41/27/38/1136412738.db2.gz GLAOIPPUPPGJLT-UHFFFAOYSA-N 0 3 344.455 3.540 20 10 EHCDHN C[C@H]([C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001134686448 1136509372 /nfs/dbraw/zinc/50/93/72/1136509372.db2.gz KPSUMGYXRMYBGR-FRQCXROJSA-N 0 3 347.547 3.790 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccco1 ZINC000815556695 1136610277 /nfs/dbraw/zinc/61/02/77/1136610277.db2.gz BTMNYKIXDUWYOL-ICSRJNTNSA-N 0 3 337.419 3.982 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000815588406 1136614950 /nfs/dbraw/zinc/61/49/50/1136614950.db2.gz NMHDBORATKKCTD-AZUAARDMSA-N 0 3 347.462 3.936 20 10 EHCDHN CSc1ccc([C@H](C[NH2+]Cc2cc(F)ccc2[O-])N(C)C)cc1 ZINC000816667958 1136748967 /nfs/dbraw/zinc/74/89/67/1136748967.db2.gz APQJMFMMEQMBPC-KRWDZBQOSA-N 0 3 334.460 3.646 20 10 EHCDHN Fc1cc(CNCc2cccc(C3CC3)c2)ccc1N1CCOCC1 ZINC000817407209 1136805257 /nfs/dbraw/zinc/80/52/57/1136805257.db2.gz FKPACALJHUEVDF-UHFFFAOYSA-N 0 3 340.442 3.830 20 10 EHCDHN CC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])CCO1 ZINC000817414740 1136806665 /nfs/dbraw/zinc/80/66/65/1136806665.db2.gz JKWBBWOHHYUQHA-KBPBESRZSA-N 0 3 328.250 3.510 20 10 EHCDHN Cc1cccnc1[C@@H](NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000115623029 1136909280 /nfs/dbraw/zinc/90/92/80/1136909280.db2.gz IVKHHYQRRUAVMR-FQEVSTJZSA-N 0 3 339.483 3.714 20 10 EHCDHN c1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CCC2)nc1 ZINC000858237410 1136951641 /nfs/dbraw/zinc/95/16/41/1136951641.db2.gz JKUVCGICUNIWHT-NRFANRHFSA-N 0 3 337.467 3.549 20 10 EHCDHN CCn1nnc(C)c1C[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000823375192 1137096778 /nfs/dbraw/zinc/09/67/78/1137096778.db2.gz BCAUWKOMWSZTSA-UHFFFAOYSA-N 0 3 328.460 3.647 20 10 EHCDHN CCn1nnc(C)c1C[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000823375192 1137096779 /nfs/dbraw/zinc/09/67/79/1137096779.db2.gz BCAUWKOMWSZTSA-UHFFFAOYSA-N 0 3 328.460 3.647 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000862367932 1137140573 /nfs/dbraw/zinc/14/05/73/1137140573.db2.gz ADSPJUGSGXPAIU-LLVKDONJSA-N 0 3 336.382 3.596 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(C)cc1[O-] ZINC000794808350 1137257621 /nfs/dbraw/zinc/25/76/21/1137257621.db2.gz AEVRNURQSOZEMS-CQSZACIVSA-N 0 3 327.350 3.700 20 10 EHCDHN C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)NC(=O)OC(C)(C)C ZINC000794825897 1137270288 /nfs/dbraw/zinc/27/02/88/1137270288.db2.gz QLKWBHFPARVLER-NQBHXWOUSA-N 0 3 338.423 3.582 20 10 EHCDHN COc1ccc(OC)c([C@@H]2CCCN2Cc2cccc(OC)c2O)c1 ZINC000120631438 1137294974 /nfs/dbraw/zinc/29/49/74/1137294974.db2.gz HCANEHQWXDBMRX-KRWDZBQOSA-N 0 3 343.423 3.755 20 10 EHCDHN CC[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000846180955 1137339900 /nfs/dbraw/zinc/33/99/00/1137339900.db2.gz OQDXSVJMIROBTK-FPOVZHCZSA-N 0 3 325.452 3.618 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c2c1c(F)ccc2[O-] ZINC000846201583 1137341706 /nfs/dbraw/zinc/34/17/06/1137341706.db2.gz NOBDCGGNMCRJMY-BQUDOFGOSA-N 0 3 342.414 3.985 20 10 EHCDHN COc1ccc([C@@H]2CCCN2Cc2cccc(OC)c2O)c(OC)c1 ZINC000121009862 1137346261 /nfs/dbraw/zinc/34/62/61/1137346261.db2.gz ZXZRWBROMUEULG-KRWDZBQOSA-N 0 3 343.423 3.755 20 10 EHCDHN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000866464452 1137357065 /nfs/dbraw/zinc/35/70/65/1137357065.db2.gz JHEBJFZGLWWMJW-XEZPLFJOSA-N 0 3 330.394 3.639 20 10 EHCDHN Fc1cc2c(c(F)c1)CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000121130717 1137367738 /nfs/dbraw/zinc/36/77/38/1137367738.db2.gz KCTJSIXYQOXNFZ-FQEVSTJZSA-N 0 3 344.405 3.579 20 10 EHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000122290315 1137423752 /nfs/dbraw/zinc/42/37/52/1137423752.db2.gz MOJHNFXQVURVPR-UHFFFAOYSA-N 0 3 341.430 3.608 20 10 EHCDHN Cc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000122438336 1137437361 /nfs/dbraw/zinc/43/73/61/1137437361.db2.gz DBTDIEPQINSWES-UHFFFAOYSA-N 0 3 337.467 3.778 20 10 EHCDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001171959983 1137519263 /nfs/dbraw/zinc/51/92/63/1137519263.db2.gz LDEIZXATZZYIQS-NSHDSACASA-N 0 3 325.330 3.837 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000876972230 1137666631 /nfs/dbraw/zinc/66/66/31/1137666631.db2.gz IVNBNRFCXIPKKI-CQSZACIVSA-N 0 3 326.396 3.508 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000876988230 1137667076 /nfs/dbraw/zinc/66/70/76/1137667076.db2.gz DRPPHQZNBFEPNP-MRXNPFEDSA-N 0 3 330.497 3.764 20 10 EHCDHN COc1ccc(CC[NH2+]Cc2c(C)cccc2[O-])cc1OC(F)F ZINC000876996124 1137667331 /nfs/dbraw/zinc/66/73/31/1137667331.db2.gz PKPKFJRUEFPOQA-UHFFFAOYSA-N 0 3 337.366 3.643 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000877025680 1137667999 /nfs/dbraw/zinc/66/79/99/1137667999.db2.gz RXZRUJAJHHASNK-INIZCTEOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1ccc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c([O-])c1 ZINC000877168269 1137672148 /nfs/dbraw/zinc/67/21/48/1137672148.db2.gz RCLGSBUEQHLCLP-UHFFFAOYSA-N 0 3 329.465 3.826 20 10 EHCDHN CCc1cccc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1O ZINC000877663670 1137684939 /nfs/dbraw/zinc/68/49/39/1137684939.db2.gz FJRLSXBHZYFRJL-MRXNPFEDSA-N 0 3 339.357 3.797 20 10 EHCDHN COCC1(C2CC2)CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000877685612 1137685839 /nfs/dbraw/zinc/68/58/39/1137685839.db2.gz CQZIRMSCIPPUAU-UHFFFAOYSA-N 0 3 333.472 3.557 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC2(CCOCC2)O1 ZINC000878566033 1137720570 /nfs/dbraw/zinc/72/05/70/1137720570.db2.gz YWOUWLHEVWPTGJ-GOSISDBHSA-N 0 3 333.472 3.723 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC2(CCOCC2)O1 ZINC000878566033 1137720571 /nfs/dbraw/zinc/72/05/71/1137720571.db2.gz YWOUWLHEVWPTGJ-GOSISDBHSA-N 0 3 333.472 3.723 20 10 EHCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](N)CC1CC1 ZINC000884305272 1137946284 /nfs/dbraw/zinc/94/62/84/1137946284.db2.gz QISSSQUNZKAKLA-HNAYVOBHSA-N 0 3 338.451 3.609 20 10 EHCDHN COc1cc(C)cc(CN[C@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000886070333 1138037751 /nfs/dbraw/zinc/03/77/51/1138037751.db2.gz QPKZSLBZMFAVIF-OAHLLOKOSA-N 0 3 328.456 3.929 20 10 EHCDHN C[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631678 1138104150 /nfs/dbraw/zinc/10/41/50/1138104150.db2.gz UBYWEJOFXJKQAZ-WMLDXEAASA-N 0 3 339.414 3.899 20 10 EHCDHN C[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1c([O-])cccc1F ZINC000886631678 1138104151 /nfs/dbraw/zinc/10/41/51/1138104151.db2.gz UBYWEJOFXJKQAZ-WMLDXEAASA-N 0 3 339.414 3.899 20 10 EHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000264955738 1138685816 /nfs/dbraw/zinc/68/58/16/1138685816.db2.gz MNEVYZLHGSHJPJ-CYBMUJFWSA-N 0 3 341.430 3.627 20 10 EHCDHN C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183625729 1140050264 /nfs/dbraw/zinc/05/02/64/1140050264.db2.gz WWRNQMIVTMBCSC-JKSUJKDBSA-N 0 3 325.456 3.663 20 10 EHCDHN C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1[O-] ZINC000184092957 1140079196 /nfs/dbraw/zinc/07/91/96/1140079196.db2.gz DWLVKMHQAORQOT-CYBMUJFWSA-N 0 3 341.386 3.865 20 10 EHCDHN COc1cc2c(cc1C[NH2+][C@H](C)c1cc(F)ccc1[O-])O[C@H](C)C2 ZINC000184975711 1140128941 /nfs/dbraw/zinc/12/89/41/1140128941.db2.gz WQJBAZDRCTYRDI-VXGBXAGGSA-N 0 3 331.387 3.714 20 10 EHCDHN C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000186020886 1140182794 /nfs/dbraw/zinc/18/27/94/1140182794.db2.gz KOYCJFHLIABASQ-AWEZNQCLSA-N 0 3 342.414 3.505 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000186196771 1140191492 /nfs/dbraw/zinc/19/14/92/1140191492.db2.gz HKYKKZNNJBZDOH-JDNHERCYSA-N 0 3 327.758 3.708 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000186196723 1140191688 /nfs/dbraw/zinc/19/16/88/1140191688.db2.gz HKYKKZNNJBZDOH-FVMDXXJSSA-N 0 3 327.758 3.708 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c1[O-] ZINC000187307224 1140248955 /nfs/dbraw/zinc/24/89/55/1140248955.db2.gz QOKIYEZDKAKWJH-NWDGAFQWSA-N 0 3 342.277 3.929 20 10 EHCDHN C[C@@H](NCC1(C)OCCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000190661160 1140413416 /nfs/dbraw/zinc/41/34/16/1140413416.db2.gz WRLPOWGYGPZRJU-OAHLLOKOSA-N 0 3 336.451 3.620 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000270188551 1141190310 /nfs/dbraw/zinc/19/03/10/1141190310.db2.gz XROQTACALMUHOJ-JBEBIEQOSA-N 0 3 347.480 3.769 20 10 EHCDHN COc1ccc(CNCc2oc3ccc(F)cc3c2C)c(O)c1OC ZINC000892675847 1016462663 /nfs/dbraw/zinc/46/26/63/1016462663.db2.gz WBIGQQKARZDOLM-UHFFFAOYSA-N 0 3 345.370 3.893 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000183315720 1032190688 /nfs/dbraw/zinc/19/06/88/1032190688.db2.gz HTBKDEBTXSJGJU-RBUKOAKNSA-N 0 3 338.451 3.624 20 10 EHCDHN COc1ccc(OC)c([C@H](C)NCc2cc(C)cc(OC)c2O)c1 ZINC000894150208 1018715731 /nfs/dbraw/zinc/71/57/31/1018715731.db2.gz WNBNKFPKCJKRCO-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)cc1O ZINC000280069674 1020057629 /nfs/dbraw/zinc/05/76/29/1020057629.db2.gz KXTUOAWUZQWXKH-MRXNPFEDSA-N 0 3 330.384 3.858 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C)cc1[O-] ZINC000280138244 1020104777 /nfs/dbraw/zinc/10/47/77/1020104777.db2.gz PMZBJJPLQLWDJG-HNNXBMFYSA-N 0 3 330.384 3.858 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCSC2)c1[O-] ZINC000280196089 1020161672 /nfs/dbraw/zinc/16/16/72/1020161672.db2.gz VCUWOUUAOHIPLK-QWRGUYRKSA-N 0 3 330.291 3.867 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000760446233 1032960413 /nfs/dbraw/zinc/96/04/13/1032960413.db2.gz RFXSATPODCVJPQ-CQSZACIVSA-N 0 3 328.416 3.764 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(OC)c(OC)c1O ZINC000891853690 1023072089 /nfs/dbraw/zinc/07/20/89/1023072089.db2.gz RHVXNNWHLCWKKC-UHFFFAOYSA-N 0 3 331.412 3.527 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(OC)c(OC)c1O ZINC000891853690 1023072098 /nfs/dbraw/zinc/07/20/98/1023072098.db2.gz RHVXNNWHLCWKKC-UHFFFAOYSA-N 0 3 331.412 3.527 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1[O-] ZINC000278757268 1023392642 /nfs/dbraw/zinc/39/26/42/1023392642.db2.gz XHMUODUNDKSWLI-YCPHGPKFSA-N 0 3 334.460 3.688 20 10 EHCDHN CC(C)N(CC[S@](=O)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000729542778 1024606098 /nfs/dbraw/zinc/60/60/98/1024606098.db2.gz UAXVGVKTDRNCJN-DEOSSOPVSA-N 0 3 344.524 3.771 20 10 EHCDHN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000156938059 1024658362 /nfs/dbraw/zinc/65/83/62/1024658362.db2.gz KEHBRQGPUAZSGK-SJORKVTESA-N 0 3 340.467 3.944 20 10 EHCDHN COc1cc(Cl)cc(CN2CCC(Nc3ccccn3)CC2)c1O ZINC000896194571 1025241847 /nfs/dbraw/zinc/24/18/47/1025241847.db2.gz DFKIECFQVYBNFJ-UHFFFAOYSA-N 0 3 347.846 3.526 20 10 EHCDHN C[C@@H](NCc1ccncc1OCC(F)(F)F)c1cc(F)ccc1O ZINC000281793627 1025484472 /nfs/dbraw/zinc/48/44/72/1025484472.db2.gz XYNGXEXXMNVQAK-SNVBAGLBSA-N 0 3 344.308 3.718 20 10 EHCDHN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000896639544 1025792785 /nfs/dbraw/zinc/79/27/85/1025792785.db2.gz VXELNWKVHBKSGK-DOTOQJQBSA-N 0 3 328.431 3.532 20 10 EHCDHN COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc(OC)c1OC ZINC000272871479 1027155977 /nfs/dbraw/zinc/15/59/77/1027155977.db2.gz OVRHNFNLRSIUQI-CHWSQXEVSA-N 0 3 331.412 3.830 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273213374 1027316035 /nfs/dbraw/zinc/31/60/35/1027316035.db2.gz UFCDAQNZSIEWFH-QAPCUYQASA-N 0 3 327.424 3.628 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000156340190 1029806570 /nfs/dbraw/zinc/80/65/70/1029806570.db2.gz XIRNGMXSCRWHSI-BBRMVZONSA-N 0 3 331.847 3.760 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000156982721 1030162238 /nfs/dbraw/zinc/16/22/38/1030162238.db2.gz RTFZJVBXCOKQJE-CVEARBPZSA-N 0 3 334.460 3.736 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c([O-])c1 ZINC000898176771 1033378673 /nfs/dbraw/zinc/37/86/73/1033378673.db2.gz CQUAZWONPSHSMO-CQSZACIVSA-N 0 3 329.444 3.638 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000174461199 1033944837 /nfs/dbraw/zinc/94/48/37/1033944837.db2.gz PZYORXCPBMRDSL-UHFFFAOYSA-N 0 3 346.736 3.628 20 10 EHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(n4ccnc4)CC3)c2c1 ZINC000152097312 1035773461 /nfs/dbraw/zinc/77/34/61/1035773461.db2.gz QCOYMBBJZHJJSN-UHFFFAOYSA-N 0 3 337.423 3.588 20 10 EHCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000311108321 1037405271 /nfs/dbraw/zinc/40/52/71/1037405271.db2.gz VXBSSCWSDJYJEP-NUEKZKHPSA-N 0 3 346.471 3.663 20 10 EHCDHN CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(F)cc2O)CC1 ZINC000186361422 1039347362 /nfs/dbraw/zinc/34/73/62/1039347362.db2.gz STIFQUFRCMXHCH-HNNXBMFYSA-N 0 3 343.446 3.846 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000156335897 1041123440 /nfs/dbraw/zinc/12/34/40/1041123440.db2.gz GLLDWBABNZXEIY-RDJZCZTQSA-N 0 3 326.440 3.720 20 10 EHCDHN COc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)c(O)c1OC ZINC000893475053 1042217586 /nfs/dbraw/zinc/21/75/86/1042217586.db2.gz HWDCHLVDGFSJNB-PWSUYJOCSA-N 0 3 333.350 3.572 20 10 EHCDHN CCN1CCN(Cc2ccc(N[C@H](C)c3ccccc3O)cc2)CC1 ZINC000183649675 1125657673 /nfs/dbraw/zinc/65/76/73/1125657673.db2.gz XNLVMAWOPIKIAE-QGZVFWFLSA-N 0 3 339.483 3.703 20 10 EHCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])N2CCCC2)o1 ZINC000185298391 1126857455 /nfs/dbraw/zinc/85/74/55/1126857455.db2.gz SRJZTIZVWMWHRM-WMLDXEAASA-N 0 3 332.419 3.920 20 10 EHCDHN CN(c1ccc(CNCc2cnn(CCF)c2)cc1)C1CCCCC1 ZINC000921618058 1127767993 /nfs/dbraw/zinc/76/79/93/1127767993.db2.gz SKFZMSZLXWLOIK-UHFFFAOYSA-N 0 3 344.478 3.911 20 10 EHCDHN COc1ccccc1[C@H](C[NH2+]Cc1cc(F)ccc1[O-])OC(C)C ZINC000186466622 1128752089 /nfs/dbraw/zinc/75/20/89/1128752089.db2.gz ILWDNHOXIFVWAN-IBGZPJMESA-N 0 3 333.403 3.796 20 10 EHCDHN CCCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000916836808 1122363245 /nfs/dbraw/zinc/36/32/45/1122363245.db2.gz PLHKFGKNCLZTPF-UHFFFAOYSA-N 0 3 342.458 3.905 20 10 EHCDHN CCOc1ccc(O)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000154269956 1122479042 /nfs/dbraw/zinc/47/90/42/1122479042.db2.gz YMBZGEWYHPOQOQ-UHFFFAOYSA-N 0 3 342.395 3.864 20 10 EHCDHN C[C@H](NCc1cccnc1N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000154797240 1122899111 /nfs/dbraw/zinc/89/91/11/1122899111.db2.gz JMEDEUGEADKJEI-KRWDZBQOSA-N 0 3 338.499 3.989 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000763455824 1123612415 /nfs/dbraw/zinc/61/24/15/1123612415.db2.gz VYDPMTVZRWQNLQ-IEBWSBKVSA-N 0 3 349.833 3.749 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000179878906 1123886284 /nfs/dbraw/zinc/88/62/84/1123886284.db2.gz ZKDWAFWAPXMVKV-BDJLRTHQSA-N 0 3 325.330 3.795 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000180275080 1123975143 /nfs/dbraw/zinc/97/51/43/1123975143.db2.gz NSLMDRPPXAJWDW-MJGOQNOKSA-N 0 3 333.378 3.759 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000180275080 1123975145 /nfs/dbraw/zinc/97/51/45/1123975145.db2.gz NSLMDRPPXAJWDW-MJGOQNOKSA-N 0 3 333.378 3.759 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1[O-] ZINC000735668111 1131371292 /nfs/dbraw/zinc/37/12/92/1131371292.db2.gz PACHGXOVVGUEOJ-OLZOCXBDSA-N 0 3 345.464 3.658 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1[O-] ZINC000735668111 1131371295 /nfs/dbraw/zinc/37/12/95/1131371295.db2.gz PACHGXOVVGUEOJ-OLZOCXBDSA-N 0 3 345.464 3.658 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC000700753462 1130065208 /nfs/dbraw/zinc/06/52/08/1130065208.db2.gz LDZXJJKGHKCELE-OFQRWUPVSA-N 0 3 334.460 3.749 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000730107685 1130673651 /nfs/dbraw/zinc/67/36/51/1130673651.db2.gz OKBVJQHHTNHMJQ-UHFFFAOYSA-N 0 3 341.329 3.588 20 10 EHCDHN c1ccc2c(c1)nccc2NCc1ccc(N2CCSCC2)cc1 ZINC000731976689 1130871683 /nfs/dbraw/zinc/87/16/83/1130871683.db2.gz STOFCBFIFADAAZ-UHFFFAOYSA-N 0 3 335.476 3.822 20 10 EHCDHN C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000732187692 1130892505 /nfs/dbraw/zinc/89/25/05/1130892505.db2.gz SSTDMMRDUHIZKE-QGZVFWFLSA-N 0 3 347.462 3.647 20 10 EHCDHN C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000732187692 1130892511 /nfs/dbraw/zinc/89/25/11/1130892511.db2.gz SSTDMMRDUHIZKE-QGZVFWFLSA-N 0 3 347.462 3.647 20 10 EHCDHN CCOCC[C@H](C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001172431146 1131725270 /nfs/dbraw/zinc/72/52/70/1131725270.db2.gz LLKYYDRSGFOZHK-AWEZNQCLSA-N 0 3 346.393 3.522 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@H]1Cc3ccc(Cl)cc3C1)CCC2 ZINC001172723738 1131823593 /nfs/dbraw/zinc/82/35/93/1131823593.db2.gz ITFMUJGVJRLTSY-KRWDZBQOSA-N 0 3 329.827 3.667 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc(N3CCCC3)cc2)cn1 ZINC001177268351 1133050922 /nfs/dbraw/zinc/05/09/22/1133050922.db2.gz WZZZDXOYNKRMPO-UHFFFAOYSA-N 0 3 338.499 3.818 20 10 EHCDHN CCCn1nc(C)c(CN(CC)Cc2ccc(N(C)C)cc2)c1C ZINC000768134672 1133100799 /nfs/dbraw/zinc/10/07/99/1133100799.db2.gz SSZKKOVMIKLZSD-UHFFFAOYSA-N 0 3 328.504 3.998 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC2)c([O-])c1 ZINC000768199186 1133106230 /nfs/dbraw/zinc/10/62/30/1133106230.db2.gz FBWMXIVJLPBYQL-UHFFFAOYSA-N 0 3 327.424 3.964 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC2)c([O-])c1 ZINC000768199186 1133106231 /nfs/dbraw/zinc/10/62/31/1133106231.db2.gz FBWMXIVJLPBYQL-UHFFFAOYSA-N 0 3 327.424 3.964 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000768264026 1133119273 /nfs/dbraw/zinc/11/92/73/1133119273.db2.gz YXSDHYZLCUSNDT-OAHLLOKOSA-N 0 3 335.473 3.522 20 10 EHCDHN Cc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C(C)C)s1 ZINC000768442804 1133139260 /nfs/dbraw/zinc/13/92/60/1133139260.db2.gz NYJCUAKFHAZOFN-QGZVFWFLSA-N 0 3 333.453 3.599 20 10 EHCDHN Cc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C(C)C)s1 ZINC000768442804 1133139263 /nfs/dbraw/zinc/13/92/63/1133139263.db2.gz NYJCUAKFHAZOFN-QGZVFWFLSA-N 0 3 333.453 3.599 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1F ZINC000768892912 1133198277 /nfs/dbraw/zinc/19/82/77/1133198277.db2.gz UCNQNWAAHOEVDV-MRXNPFEDSA-N 0 3 330.451 3.775 20 10 EHCDHN CC1=NO[C@@H](CNCc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001179479148 1133254098 /nfs/dbraw/zinc/25/40/98/1133254098.db2.gz KLXVMGZXAJZGBT-HXUWFJFHSA-N 0 3 335.451 3.504 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000769327346 1133262728 /nfs/dbraw/zinc/26/27/28/1133262728.db2.gz AULVGZPYODNFFJ-CYBMUJFWSA-N 0 3 326.234 3.538 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000769327346 1133262735 /nfs/dbraw/zinc/26/27/35/1133262735.db2.gz AULVGZPYODNFFJ-CYBMUJFWSA-N 0 3 326.234 3.538 20 10 EHCDHN C[C@@H]1CC[C@@](CO)(NCc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC001179790028 1133283548 /nfs/dbraw/zinc/28/35/48/1133283548.db2.gz ZFAPLUIUKMVDNJ-VFNWGFHPSA-N 0 3 342.458 3.766 20 10 EHCDHN CN(Cc1cc2ccccc2[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000769484230 1133289638 /nfs/dbraw/zinc/28/96/38/1133289638.db2.gz VQJLYLXKDDOHLO-UHFFFAOYSA-N 0 3 335.451 3.637 20 10 EHCDHN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc3c(cc2O)OCO3)o1 ZINC000769549996 1133313424 /nfs/dbraw/zinc/31/34/24/1133313424.db2.gz QKZKJEVTUVSPIR-SWLSCSKDSA-N 0 3 329.396 3.996 20 10 EHCDHN COC(=O)c1c(CN2CC[C@H](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001180198875 1133347433 /nfs/dbraw/zinc/34/74/33/1133347433.db2.gz KOTUNGBJHJNQJG-STQMWFEESA-N 0 3 332.419 3.582 20 10 EHCDHN CCc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC000770146354 1133393344 /nfs/dbraw/zinc/39/33/44/1133393344.db2.gz HIWOJKQABLWCFM-UHFFFAOYSA-N 0 3 337.467 3.643 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(F)c1 ZINC000774483304 1133688186 /nfs/dbraw/zinc/68/81/86/1133688186.db2.gz JOKXVXBFJVSGJP-KBPBESRZSA-N 0 3 329.419 3.570 20 10 EHCDHN COC(C)(C)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183928212 1133879653 /nfs/dbraw/zinc/87/96/53/1133879653.db2.gz GJFPTVXFPWOEQP-HNNXBMFYSA-N 0 3 329.440 3.874 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC(F)(F)C1 ZINC000787731907 1134036397 /nfs/dbraw/zinc/03/63/97/1134036397.db2.gz UDSARSQPFJTDPT-GOEBONIOSA-N 0 3 325.399 3.809 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC(F)(F)C1 ZINC000787731907 1134036405 /nfs/dbraw/zinc/03/64/05/1134036405.db2.gz UDSARSQPFJTDPT-GOEBONIOSA-N 0 3 325.399 3.809 20 10 EHCDHN CSC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000789751371 1134332283 /nfs/dbraw/zinc/33/22/83/1134332283.db2.gz BMKFIWFPUPGXPR-UHFFFAOYSA-N 0 3 330.291 3.838 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000772799005 1134702328 /nfs/dbraw/zinc/70/23/28/1134702328.db2.gz VPSIRFSRGSWBRF-ZDUSSCGKSA-N 0 3 347.484 3.705 20 10 EHCDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793190720 1134871891 /nfs/dbraw/zinc/87/18/91/1134871891.db2.gz WESBPROGOJLLIO-XJKSGUPXSA-N 0 3 344.421 3.897 20 10 EHCDHN CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793390841 1134921602 /nfs/dbraw/zinc/92/16/02/1134921602.db2.gz RYDSWLHTVTZMFP-MRXNPFEDSA-N 0 3 345.439 3.529 20 10 EHCDHN COc1ncc([C@@H](C)NCc2ccc3c(c2)CCCN3C)cc1Cl ZINC000793524751 1134947291 /nfs/dbraw/zinc/94/72/91/1134947291.db2.gz IAWDTZMSQZMOBP-CYBMUJFWSA-N 0 3 345.874 3.977 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000793608023 1134968274 /nfs/dbraw/zinc/96/82/74/1134968274.db2.gz HIVHJARDPBFIJH-IAGOWNOFSA-N 0 3 342.405 3.915 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1N1CCOCC1)c1ccccc1[O-] ZINC000775513063 1134983330 /nfs/dbraw/zinc/98/33/30/1134983330.db2.gz NKPWAUUOZKCKQT-IBGZPJMESA-N 0 3 340.467 3.778 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000775512799 1134983479 /nfs/dbraw/zinc/98/34/79/1134983479.db2.gz MYRPTIWGGYNUEI-SUMWQHHRSA-N 0 3 332.394 3.990 20 10 EHCDHN CC[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000775526943 1135011590 /nfs/dbraw/zinc/01/15/90/1135011590.db2.gz OSLDHRRWFVMJFU-QGZVFWFLSA-N 0 3 327.424 3.837 20 10 EHCDHN CN1CCCc2cc(CN[C@@H]3CCc4nc(Cl)ccc43)ccc21 ZINC000806135800 1135388694 /nfs/dbraw/zinc/38/86/94/1135388694.db2.gz OPIBXJZECDUVHD-MRXNPFEDSA-N 0 3 327.859 3.895 20 10 EHCDHN COc1ccc(O)c(CN(C)Cc2cc(Br)cs2)c1 ZINC000775653756 1135419041 /nfs/dbraw/zinc/41/90/41/1135419041.db2.gz AYOSMOBCWLUHES-UHFFFAOYSA-N 0 3 342.258 3.857 20 10 EHCDHN COc1ccc(CNCc2ccc3c(c2)CCCN3C)c(C)c1OC ZINC000808385717 1135661039 /nfs/dbraw/zinc/66/10/39/1135661039.db2.gz SUNPUQJBYOFYEY-UHFFFAOYSA-N 0 3 340.467 3.684 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)c1[O-] ZINC000808683830 1135710966 /nfs/dbraw/zinc/71/09/66/1135710966.db2.gz KDNRDDGSBHEEEP-NXEZZACHSA-N 0 3 325.758 3.972 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000808685691 1135711557 /nfs/dbraw/zinc/71/15/57/1135711557.db2.gz KGLNKDWGDIBBMW-PWSUYJOCSA-N 0 3 336.785 3.641 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1[O-] ZINC000808674376 1135714171 /nfs/dbraw/zinc/71/41/71/1135714171.db2.gz GBQJQIMAQULBLS-ZDUSSCGKSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000808672804 1135714297 /nfs/dbraw/zinc/71/42/97/1135714297.db2.gz GIWATHOKMSMJEB-KFWWJZLASA-N 0 3 340.895 3.504 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1[O-] ZINC000808678758 1135715647 /nfs/dbraw/zinc/71/56/47/1135715647.db2.gz XFIDEPYCEZCNTC-AWEZNQCLSA-N 0 3 346.858 3.663 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c1[O-] ZINC000808705691 1135716358 /nfs/dbraw/zinc/71/63/58/1135716358.db2.gz OKYYRFXQRQXSPA-GFCCVEGCSA-N 0 3 333.815 3.976 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000808706382 1135716738 /nfs/dbraw/zinc/71/67/38/1135716738.db2.gz IMTKJXWKVXLHTG-YTEVENLXSA-N 0 3 337.872 3.942 20 10 EHCDHN CSc1cccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775830748 1135784961 /nfs/dbraw/zinc/78/49/61/1135784961.db2.gz NETAKVPSRGXNMK-AWEZNQCLSA-N 0 3 343.496 3.764 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253838 1135948739 /nfs/dbraw/zinc/94/87/39/1135948739.db2.gz DWNRRAZSBIASEQ-DGCLKSJQSA-N 0 3 339.361 3.732 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253838 1135948742 /nfs/dbraw/zinc/94/87/42/1135948742.db2.gz DWNRRAZSBIASEQ-DGCLKSJQSA-N 0 3 339.361 3.732 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](C)c2ccncc2)c1[O-] ZINC000776222966 1136070916 /nfs/dbraw/zinc/07/09/16/1136070916.db2.gz XPCLXFMRFTWNQC-LBPRGKRZSA-N 0 3 335.245 3.751 20 10 EHCDHN CC(C)C[C@H](C[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000811456565 1136089585 /nfs/dbraw/zinc/08/95/85/1136089585.db2.gz CYCLPHOCTGSVFJ-MRXNPFEDSA-N 0 3 336.476 3.763 20 10 EHCDHN CC(C)C[C@H](C[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000811456565 1136089587 /nfs/dbraw/zinc/08/95/87/1136089587.db2.gz CYCLPHOCTGSVFJ-MRXNPFEDSA-N 0 3 336.476 3.763 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000811791793 1136140574 /nfs/dbraw/zinc/14/05/74/1136140574.db2.gz VRBLOVBNKBJDEG-HKUYNNGSSA-N 0 3 345.483 3.929 20 10 EHCDHN COc1cc(CN[C@H](CO)c2ccc(F)cc2)c(O)c(C(C)(C)C)c1 ZINC000850138633 1136213962 /nfs/dbraw/zinc/21/39/62/1136213962.db2.gz HPCZULDNVNINLN-GOSISDBHSA-N 0 3 347.430 3.661 20 10 EHCDHN CCOc1ccc(O)c(CNCc2cccc(OC3CC3)c2F)c1 ZINC000850365562 1136242036 /nfs/dbraw/zinc/24/20/36/1136242036.db2.gz TZPBRWGVVRPAOT-UHFFFAOYSA-N 0 3 331.387 3.761 20 10 EHCDHN Cn1nc2c(c1CNCc1ccc(N3CCCCC3)cc1)CCCC2 ZINC000812773789 1136245204 /nfs/dbraw/zinc/24/52/04/1136245204.db2.gz RVWXNDVSPPPELY-UHFFFAOYSA-N 0 3 338.499 3.579 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)c([O-])c1 ZINC000850395603 1136248559 /nfs/dbraw/zinc/24/85/59/1136248559.db2.gz VGIYXZAUYRAIOG-PMACEKPBSA-N 0 3 329.440 3.639 20 10 EHCDHN C[C@@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1(CO)CC1 ZINC000850515149 1136275382 /nfs/dbraw/zinc/27/53/82/1136275382.db2.gz IWQOOIKOCHURNC-APWZRJJASA-N 0 3 325.452 3.817 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(OC3CC3)c2F)c1 ZINC000850521551 1136276216 /nfs/dbraw/zinc/27/62/16/1136276216.db2.gz WJODCCFUAQTQCU-LBPRGKRZSA-N 0 3 331.387 3.932 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(F)cc(F)c1 ZINC000850566568 1136287472 /nfs/dbraw/zinc/28/74/72/1136287472.db2.gz PQSIUEBYMMIJBC-AWEZNQCLSA-N 0 3 346.421 3.777 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850579982 1136291987 /nfs/dbraw/zinc/29/19/87/1136291987.db2.gz DZRWXKYMMWROQG-GDBMZVCRSA-N 0 3 325.330 3.584 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnn(-c3ccc(F)cc3)c2)c1 ZINC000813331083 1136318633 /nfs/dbraw/zinc/31/86/33/1136318633.db2.gz KPKOFFZIRUYQEY-ZDUSSCGKSA-N 0 3 341.386 3.576 20 10 EHCDHN CC1=C(C)C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686302 1136509418 /nfs/dbraw/zinc/50/94/18/1136509418.db2.gz GZBDBDZCJRDRJC-QUCCMNQESA-N 0 3 343.515 3.608 20 10 EHCDHN Cc1cc(Cl)cc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000815115734 1136551459 /nfs/dbraw/zinc/55/14/59/1136551459.db2.gz MKGIDBPIOJULRD-UHFFFAOYSA-N 0 3 348.849 3.914 20 10 EHCDHN Cc1cc(CN[C@H](CCO)c2ccc(Cl)cc2)ccc1N(C)C ZINC000815118400 1136551936 /nfs/dbraw/zinc/55/19/36/1136551936.db2.gz OSXSTUOIQHDGSM-GOSISDBHSA-N 0 3 332.875 3.928 20 10 EHCDHN Cc1ncsc1/C=C/C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000776845517 1136746235 /nfs/dbraw/zinc/74/62/35/1136746235.db2.gz ADHLQBVQOURBBR-MDZDMXLPSA-N 0 3 341.480 3.594 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817972575 1136853871 /nfs/dbraw/zinc/85/38/71/1136853871.db2.gz XYBDAOPHKCVCQJ-YWVKMMECSA-N 0 3 347.684 3.599 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3csc(C)n3)C2)cc1 ZINC000818342947 1136872513 /nfs/dbraw/zinc/87/25/13/1136872513.db2.gz WXQGXYVDTDLELK-HIFRSBDPSA-N 0 3 331.485 3.637 20 10 EHCDHN Cc1ccc(O[C@@H]2CCN(C/C=C/c3ccc(N(C)C)cc3)C2)nc1 ZINC000858013388 1136931039 /nfs/dbraw/zinc/93/10/39/1136931039.db2.gz ICNDTNUMRBIZOI-DPZZJQGRSA-N 0 3 337.467 3.623 20 10 EHCDHN CO[C@H](CN[C@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000777012740 1136953546 /nfs/dbraw/zinc/95/35/46/1136953546.db2.gz ROVURALZDALDRH-CZUORRHYSA-N 0 3 330.394 3.905 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]CCc1c(C)[nH]c2ccc(F)cc21 ZINC000858279137 1136955177 /nfs/dbraw/zinc/95/51/77/1136955177.db2.gz RYRFOCYWIXNNKA-UHFFFAOYSA-N 0 3 328.387 3.662 20 10 EHCDHN COc1ccc(N2CCC(N[C@@H]3CCCc4scnc43)CC2)cc1 ZINC000858359295 1136961563 /nfs/dbraw/zinc/96/15/63/1136961563.db2.gz DRTSKGSJEKEVIC-QGZVFWFLSA-N 0 3 343.496 3.788 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1[O-] ZINC000858453219 1136969578 /nfs/dbraw/zinc/96/95/78/1136969578.db2.gz TYTLNEJYQJKLTC-SECBINFHSA-N 0 3 347.768 3.957 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c1O ZINC000858453219 1136969580 /nfs/dbraw/zinc/96/95/80/1136969580.db2.gz TYTLNEJYQJKLTC-SECBINFHSA-N 0 3 347.768 3.957 20 10 EHCDHN COc1ccc(O)c(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000013993987 1137133851 /nfs/dbraw/zinc/13/38/51/1137133851.db2.gz DMQJZHQLMGQPSG-IBGZPJMESA-N 0 3 345.414 3.721 20 10 EHCDHN COc1ccc(N2CCC(NCc3cc(F)cnc3Cl)CC2)cc1 ZINC000824539106 1137143700 /nfs/dbraw/zinc/14/37/00/1137143700.db2.gz XZTKENOHSPSDNW-UHFFFAOYSA-N 0 3 349.837 3.641 20 10 EHCDHN CS[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000824683378 1137148150 /nfs/dbraw/zinc/14/81/50/1137148150.db2.gz GPXRBYXPBOKOEI-HNNXBMFYSA-N 0 3 335.473 3.522 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540359 1137148734 /nfs/dbraw/zinc/14/87/34/1137148734.db2.gz DCZJLLROGPNLOW-CYBMUJFWSA-N 0 3 333.815 3.749 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540359 1137148736 /nfs/dbraw/zinc/14/87/36/1137148736.db2.gz DCZJLLROGPNLOW-CYBMUJFWSA-N 0 3 333.815 3.749 20 10 EHCDHN CC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000794693385 1137234308 /nfs/dbraw/zinc/23/43/08/1137234308.db2.gz IQXDPVTYOMLWBQ-XLIONFOSSA-N 0 3 333.472 3.594 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000844758654 1137250266 /nfs/dbraw/zinc/25/02/66/1137250266.db2.gz XAKYUDYORSDXGJ-SFHVURJKSA-N 0 3 347.361 3.563 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000844758654 1137250268 /nfs/dbraw/zinc/25/02/68/1137250268.db2.gz XAKYUDYORSDXGJ-SFHVURJKSA-N 0 3 347.361 3.563 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794800930 1137252206 /nfs/dbraw/zinc/25/22/06/1137252206.db2.gz FSTHQTXQULEBAQ-LPHOPBHVSA-N 0 3 331.431 3.732 20 10 EHCDHN CC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794795445 1137253298 /nfs/dbraw/zinc/25/32/98/1137253298.db2.gz POXAGQQLLIPZNU-KRWDZBQOSA-N 0 3 327.424 3.755 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794808532 1137257520 /nfs/dbraw/zinc/25/75/20/1137257520.db2.gz OPYNTTMVCKBKRV-GOEBONIOSA-N 0 3 334.460 3.751 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794817064 1137265029 /nfs/dbraw/zinc/26/50/29/1137265029.db2.gz ORELHAGFGDMONT-MSOLQXFVSA-N 0 3 330.472 3.675 20 10 EHCDHN COc1cncc(CNCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000865455691 1137285441 /nfs/dbraw/zinc/28/54/41/1137285441.db2.gz DOSOJPXZNUTOHV-UHFFFAOYSA-N 0 3 339.483 3.925 20 10 EHCDHN CCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000846052189 1137330518 /nfs/dbraw/zinc/33/05/18/1137330518.db2.gz MDZFFFYLQIZUQA-KRWDZBQOSA-N 0 3 347.459 3.586 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846117550 1137333780 /nfs/dbraw/zinc/33/37/80/1137333780.db2.gz PCPKVBHPODCPPL-YYWHXJBOSA-N 0 3 339.435 3.895 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000846117550 1137333782 /nfs/dbraw/zinc/33/37/82/1137333782.db2.gz PCPKVBHPODCPPL-YYWHXJBOSA-N 0 3 339.435 3.895 20 10 EHCDHN CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(OC)c1O)CCO2 ZINC000846164175 1137337508 /nfs/dbraw/zinc/33/75/08/1137337508.db2.gz MNMYBGRCYHQNDL-SUMWQHHRSA-N 0 3 343.423 3.974 20 10 EHCDHN COc1cccc([C@H](C)NCc2ccc(OC(F)F)cc2F)c1O ZINC000866540982 1137363059 /nfs/dbraw/zinc/36/30/59/1137363059.db2.gz GHBCYRPFPPPFPV-JTQLQIEISA-N 0 3 341.329 3.992 20 10 EHCDHN CCOc1ccc(N2CCN([C@@H](C)CCO[C@H](C)CC)CC2)cc1 ZINC001172348811 1137553389 /nfs/dbraw/zinc/55/33/89/1137553389.db2.gz ROBRZPFTRHKSFW-ZWKOTPCHSA-N 0 3 334.504 3.801 20 10 EHCDHN COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccccc1[O-])CCCC2 ZINC000872032115 1137566466 /nfs/dbraw/zinc/56/64/66/1137566466.db2.gz WYTBMXQGYMOMTR-QGZVFWFLSA-N 0 3 327.424 3.967 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc([O-])c3F)C2)cc1 ZINC000872079634 1137570153 /nfs/dbraw/zinc/57/01/53/1137570153.db2.gz JTBWPNIOFYVDTO-LSDHHAIUSA-N 0 3 344.430 3.717 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)[C@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000872135223 1137573586 /nfs/dbraw/zinc/57/35/86/1137573586.db2.gz GTDYYYYZJVKFES-VOWSPCBNSA-N 0 3 345.439 3.572 20 10 EHCDHN CN(C)c1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1F ZINC000124581430 1137603616 /nfs/dbraw/zinc/60/36/16/1137603616.db2.gz UOANZXLQNOZJGZ-NRFANRHFSA-N 0 3 342.458 3.837 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000020146112 1137608017 /nfs/dbraw/zinc/60/80/17/1137608017.db2.gz LKOPPLFNWIKTDH-UHFFFAOYSA-N 0 3 337.236 3.944 20 10 EHCDHN CCOCCOCc1cccc(C[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000876931840 1137665640 /nfs/dbraw/zinc/66/56/40/1137665640.db2.gz WZWWBDVMOQWQAD-UHFFFAOYSA-N 0 3 329.440 3.544 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000876988389 1137667021 /nfs/dbraw/zinc/66/70/21/1137667021.db2.gz DEDKFZFGGCQQIN-CQSZACIVSA-N 0 3 332.394 3.595 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877458645 1137676926 /nfs/dbraw/zinc/67/69/26/1137676926.db2.gz BALGFTRWLSEDOW-MRXNPFEDSA-N 0 3 334.460 3.580 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)c([O-])c1 ZINC000877612442 1137683016 /nfs/dbraw/zinc/68/30/16/1137683016.db2.gz IYWLJSQQJAIEFB-RHSMWYFYSA-N 0 3 341.455 3.662 20 10 EHCDHN C[C@H]1C[C@H](C[N@@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703150 1137686453 /nfs/dbraw/zinc/68/64/53/1137686453.db2.gz TWSOZQUYTYGKMX-LSDHHAIUSA-N 0 3 346.471 3.743 20 10 EHCDHN C[C@H]1C[C@H](C[N@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703150 1137686454 /nfs/dbraw/zinc/68/64/54/1137686454.db2.gz TWSOZQUYTYGKMX-LSDHHAIUSA-N 0 3 346.471 3.743 20 10 EHCDHN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755956 1137688104 /nfs/dbraw/zinc/68/81/04/1137688104.db2.gz UVTUIHCWIKUILK-MGPQQGTHSA-N 0 3 341.398 3.800 20 10 EHCDHN C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)c1ccccc1[O-] ZINC000879649763 1137753593 /nfs/dbraw/zinc/75/35/93/1137753593.db2.gz GOEHPCRXEGHETG-SJCJKPOMSA-N 0 3 328.437 3.546 20 10 EHCDHN CCCN(CC(=O)Nc1cccc(C)c1C)Cc1ccccc1O ZINC000130725893 1137841429 /nfs/dbraw/zinc/84/14/29/1137841429.db2.gz CJXGESQWDKTTLW-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN CC[C@@H](NCc1ccnc(-c2ccccn2)n1)c1ccc(N(C)C)cc1 ZINC000883292702 1137853174 /nfs/dbraw/zinc/85/31/74/1137853174.db2.gz WWHOLACPZBWFJQ-LJQANCHMSA-N 0 3 347.466 3.846 20 10 EHCDHN COc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000883330655 1137855555 /nfs/dbraw/zinc/85/55/55/1137855555.db2.gz JCOAZYBVGAJPFY-HZPDHXFCSA-N 0 3 325.408 3.892 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)cc1Cl ZINC000136360070 1138023620 /nfs/dbraw/zinc/02/36/20/1138023620.db2.gz PLNNMFSVDIXDME-INIZCTEOSA-N 0 3 326.223 3.864 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(Cl)cc1Cl ZINC000136360070 1138023622 /nfs/dbraw/zinc/02/36/22/1138023622.db2.gz PLNNMFSVDIXDME-INIZCTEOSA-N 0 3 326.223 3.864 20 10 EHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886711162 1138122403 /nfs/dbraw/zinc/12/24/03/1138122403.db2.gz OELOCQKKSLSYIU-FUHWJXTLSA-N 0 3 333.472 3.799 20 10 EHCDHN CC[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886711164 1138122485 /nfs/dbraw/zinc/12/24/85/1138122485.db2.gz OELOCQKKSLSYIU-WMZOPIPTSA-N 0 3 333.472 3.799 20 10 EHCDHN Cc1c(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)cnn1C ZINC000090888157 1138213779 /nfs/dbraw/zinc/21/37/79/1138213779.db2.gz OEQXIWAJFDRUNG-INIZCTEOSA-N 0 3 326.488 3.960 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000177974958 1139659322 /nfs/dbraw/zinc/65/93/22/1139659322.db2.gz VZDGVZKQLFNECR-GYCJOSAFSA-N 0 3 342.508 3.875 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1[O-] ZINC000183417664 1140036726 /nfs/dbraw/zinc/03/67/26/1140036726.db2.gz HQXCUFOJWZBJJA-LLVKDONJSA-N 0 3 326.318 3.579 20 10 EHCDHN CC1(CO)CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000184074672 1140077355 /nfs/dbraw/zinc/07/73/55/1140077355.db2.gz LMSSCOCWUHNKEO-UHFFFAOYSA-N 0 3 341.451 3.566 20 10 EHCDHN CCCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184691684 1140115237 /nfs/dbraw/zinc/11/52/37/1140115237.db2.gz UVFLPIVXVPPYJF-HNNXBMFYSA-N 0 3 327.852 3.835 20 10 EHCDHN CCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184691684 1140115238 /nfs/dbraw/zinc/11/52/38/1140115238.db2.gz UVFLPIVXVPPYJF-HNNXBMFYSA-N 0 3 327.852 3.835 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000184833078 1140121834 /nfs/dbraw/zinc/12/18/34/1140121834.db2.gz HOVVTYLTXZTQNU-UHFFFAOYSA-N 0 3 329.465 3.643 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000184833078 1140121836 /nfs/dbraw/zinc/12/18/36/1140121836.db2.gz HOVVTYLTXZTQNU-UHFFFAOYSA-N 0 3 329.465 3.643 20 10 EHCDHN COc1cc2c(cc1CN[C@H](C)c1cc(C)ccc1O)O[C@H](C)C2 ZINC000184974995 1140128429 /nfs/dbraw/zinc/12/84/29/1140128429.db2.gz VNQDSAGESOJYFQ-ZIAGYGMSSA-N 0 3 327.424 3.883 20 10 EHCDHN C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185049410 1140133827 /nfs/dbraw/zinc/13/38/27/1140133827.db2.gz RQRQGYIATCNXKY-KSSFIOAISA-N 0 3 342.414 3.546 20 10 EHCDHN CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185087392 1140136028 /nfs/dbraw/zinc/13/60/28/1140136028.db2.gz FGCXTFXJQKAUKG-ZDUSSCGKSA-N 0 3 345.418 3.912 20 10 EHCDHN COc1cc(Cl)cc(CN2CCC(O)(c3ccccc3)CC2)c1O ZINC000185637766 1140160187 /nfs/dbraw/zinc/16/01/87/1140160187.db2.gz MLPRTCPSIVPQML-UHFFFAOYSA-N 0 3 347.842 3.538 20 10 EHCDHN COc1ccc(O)c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000193418924 1140575873 /nfs/dbraw/zinc/57/58/73/1140575873.db2.gz WQUGTDFGANPHCZ-UHFFFAOYSA-N 0 3 343.398 3.635 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H](C)CO)c1[O-] ZINC000275340650 1016469647 /nfs/dbraw/zinc/46/96/47/1016469647.db2.gz OSUUYXWBDDUOAJ-JQWIXIFHSA-N 0 3 330.266 3.522 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(C)cc1[O-] ZINC000280115319 1020096991 /nfs/dbraw/zinc/09/69/91/1020096991.db2.gz NVSZLTZJHPYOCC-SFHVURJKSA-N 0 3 325.456 3.937 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000760038488 1023983331 /nfs/dbraw/zinc/98/33/31/1023983331.db2.gz BLASJKPGYKNQLT-ADLFWFRXSA-N 0 3 329.415 3.657 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(C)cc1[O-] ZINC000280156249 1023989531 /nfs/dbraw/zinc/98/95/31/1023989531.db2.gz QLBPHBYTAPOSQF-FQEVSTJZSA-N 0 3 339.483 3.801 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C1CCCC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892011946 1024329614 /nfs/dbraw/zinc/32/96/14/1024329614.db2.gz IONOIEMSWSOIJX-ROUUACIJSA-N 0 3 349.446 3.771 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C1CCCC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892011946 1024329632 /nfs/dbraw/zinc/32/96/32/1024329632.db2.gz IONOIEMSWSOIJX-ROUUACIJSA-N 0 3 349.446 3.771 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c1[O-] ZINC000895658727 1024697591 /nfs/dbraw/zinc/69/75/91/1024697591.db2.gz NBFTZGWALMQWOI-KRWDZBQOSA-N 0 3 335.831 3.656 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000897265917 1026613099 /nfs/dbraw/zinc/61/30/99/1026613099.db2.gz VBEOYDIOLVRQHT-IBGZPJMESA-N 0 3 339.435 3.551 20 10 EHCDHN OC[C@]1(NCc2ccc(N3CCCCC3)cc2)CCc2ccccc21 ZINC000305165754 1026625311 /nfs/dbraw/zinc/62/53/11/1026625311.db2.gz ONCODFXOKRFXJM-JOCHJYFZSA-N 0 3 336.479 3.601 20 10 EHCDHN CCOCCOCc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000273301143 1027364264 /nfs/dbraw/zinc/36/42/64/1027364264.db2.gz BMKUJJPYCPHKOK-HNNXBMFYSA-N 0 3 347.430 3.935 20 10 EHCDHN COc1cccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348272 1027387911 /nfs/dbraw/zinc/38/79/11/1027387911.db2.gz AMGXVOWGDKKHMQ-PKOBYXMFSA-N 0 3 345.414 3.892 20 10 EHCDHN COc1cccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348272 1027387930 /nfs/dbraw/zinc/38/79/30/1027387930.db2.gz AMGXVOWGDKKHMQ-PKOBYXMFSA-N 0 3 345.414 3.892 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)cc1F ZINC000237129378 1027901410 /nfs/dbraw/zinc/90/14/10/1027901410.db2.gz LBUZQBKWMDCLMU-UHFFFAOYSA-N 0 3 328.431 3.895 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000180131530 1031807694 /nfs/dbraw/zinc/80/76/94/1031807694.db2.gz IBTDTZARTMLPPB-LJQANCHMSA-N 0 3 333.378 3.616 20 10 EHCDHN Cc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc(C)n1 ZINC000780544418 1034247464 /nfs/dbraw/zinc/24/74/64/1034247464.db2.gz DZWFFTNFHAAFKB-MRXNPFEDSA-N 0 3 346.862 3.529 20 10 EHCDHN Cc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc(C)n1 ZINC000780544418 1034247482 /nfs/dbraw/zinc/24/74/82/1034247482.db2.gz DZWFFTNFHAAFKB-MRXNPFEDSA-N 0 3 346.862 3.529 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c([O-])c1 ZINC000761226959 1034819422 /nfs/dbraw/zinc/81/94/22/1034819422.db2.gz XZKIUJDNQMDICF-FQEVSTJZSA-N 0 3 341.451 3.564 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c([O-])c1 ZINC000761226959 1034819440 /nfs/dbraw/zinc/81/94/40/1034819440.db2.gz XZKIUJDNQMDICF-FQEVSTJZSA-N 0 3 341.451 3.564 20 10 EHCDHN COc1ccc(CN[C@H]2CCCOc3c(F)cccc32)c(O)c1OC ZINC000893403469 1041734414 /nfs/dbraw/zinc/73/44/14/1041734414.db2.gz ZKSKDGDZBITFEE-HNNXBMFYSA-N 0 3 347.386 3.552 20 10 EHCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCOC1 ZINC000106858169 1043060833 /nfs/dbraw/zinc/06/08/33/1043060833.db2.gz KKAGRLIUUIWVQR-ZDUSSCGKSA-N 0 3 336.229 3.529 20 10 EHCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCOC1 ZINC000106858169 1043060844 /nfs/dbraw/zinc/06/08/44/1043060844.db2.gz KKAGRLIUUIWVQR-ZDUSSCGKSA-N 0 3 336.229 3.529 20 10 EHCDHN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000765290331 1127592597 /nfs/dbraw/zinc/59/25/97/1127592597.db2.gz IWSZWTDTFUXADP-CZUORRHYSA-N 0 3 330.394 3.641 20 10 EHCDHN CC[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000186167050 1127832004 /nfs/dbraw/zinc/83/20/04/1127832004.db2.gz YBWKZKBBYOIKRR-DOTOQJQBSA-N 0 3 339.357 3.883 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1F ZINC000282288308 1128504156 /nfs/dbraw/zinc/50/41/56/1128504156.db2.gz QEPRRVIRCRBWRF-UHFFFAOYSA-N 0 3 344.459 3.644 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc(Br)nc2)cc1 ZINC001648832666 1120050833 /nfs/dbraw/zinc/05/08/33/1120050833.db2.gz HJWYKFZVYYDZKN-UHFFFAOYSA-N 0 3 348.288 3.980 20 10 EHCDHN CC[C@@H](NCc1cc2c(cc1O)OCO2)c1cc(F)ccc1OC ZINC000922624265 1129600733 /nfs/dbraw/zinc/60/07/33/1129600733.db2.gz XPKOIQCYNQEJIT-CQSZACIVSA-N 0 3 333.359 3.510 20 10 EHCDHN CC(C)n1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000163630807 1129942756 /nfs/dbraw/zinc/94/27/56/1129942756.db2.gz TZFGPHNYMGANBO-MRXNPFEDSA-N 0 3 344.528 3.868 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000738441161 1131470142 /nfs/dbraw/zinc/47/01/42/1131470142.db2.gz WJAVEZKQMGYIGA-UHFFFAOYSA-N 0 3 345.442 3.679 20 10 EHCDHN C[C@@H](NCc1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000742369069 1131710982 /nfs/dbraw/zinc/71/09/82/1131710982.db2.gz LRNGHYRKMQSZNE-QGZVFWFLSA-N 0 3 347.462 3.922 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1[O-] ZINC001172901217 1131883764 /nfs/dbraw/zinc/88/37/64/1131883764.db2.gz LEYXYPOLJIRRFQ-XJKSGUPXSA-N 0 3 326.396 3.899 20 10 EHCDHN Cc1cc(CNCc2ccc3c(c2)CCO3)ccc1Br ZINC000746053351 1132357672 /nfs/dbraw/zinc/35/76/72/1132357672.db2.gz NRIFDTXEBHIEOU-UHFFFAOYSA-N 0 3 332.241 3.982 20 10 EHCDHN CCN(Cc1ccc(N(C)C)c(F)c1)Cc1ccc(OC)c(OC)c1 ZINC000768204255 1133107571 /nfs/dbraw/zinc/10/75/71/1133107571.db2.gz UTSDOALLCLHQCL-UHFFFAOYSA-N 0 3 346.446 3.931 20 10 EHCDHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000768271766 1133119034 /nfs/dbraw/zinc/11/90/34/1133119034.db2.gz ODZUBYBUPNWFNJ-RYUDHWBXSA-N 0 3 334.357 3.654 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000769103549 1133232557 /nfs/dbraw/zinc/23/25/57/1133232557.db2.gz YOCIQHNRGNWXBX-SMDDNHRTSA-N 0 3 340.261 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000769103549 1133232563 /nfs/dbraw/zinc/23/25/63/1133232563.db2.gz YOCIQHNRGNWXBX-SMDDNHRTSA-N 0 3 340.261 3.928 20 10 EHCDHN CCN(C)c1ccc(CN2CCN(C(C)=O)C3(CCCCC3)C2)cc1 ZINC000773815689 1133261167 /nfs/dbraw/zinc/26/11/67/1133261167.db2.gz JXZYLLWYPPGSPQ-UHFFFAOYSA-N 0 3 343.515 3.510 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCc3cc(OC)ccc3C2)c([O-])c1 ZINC000769331799 1133264134 /nfs/dbraw/zinc/26/41/34/1133264134.db2.gz XOFKMKCTTCYEKH-UHFFFAOYSA-N 0 3 327.424 3.748 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCc3cc(OC)ccc3C2)c([O-])c1 ZINC000769331799 1133264138 /nfs/dbraw/zinc/26/41/38/1133264138.db2.gz XOFKMKCTTCYEKH-UHFFFAOYSA-N 0 3 327.424 3.748 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000773818147 1133269429 /nfs/dbraw/zinc/26/94/29/1133269429.db2.gz KNJDGJRGPSCJCH-HNNXBMFYSA-N 0 3 325.456 3.952 20 10 EHCDHN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000770510907 1133435579 /nfs/dbraw/zinc/43/55/79/1133435579.db2.gz VBLHOEWXTNKORN-GDBMZVCRSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000770510907 1133435583 /nfs/dbraw/zinc/43/55/83/1133435583.db2.gz VBLHOEWXTNKORN-GDBMZVCRSA-N 0 3 334.460 3.517 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770509271 1133435671 /nfs/dbraw/zinc/43/56/71/1133435671.db2.gz KESBXQVFRLELQJ-UHFFFAOYSA-N 0 3 334.460 3.660 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770509271 1133435673 /nfs/dbraw/zinc/43/56/73/1133435673.db2.gz KESBXQVFRLELQJ-UHFFFAOYSA-N 0 3 334.460 3.660 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCc2cnc3ccccc3c2)c1[O-] ZINC001183727067 1133846509 /nfs/dbraw/zinc/84/65/09/1133846509.db2.gz FAMHWKORASUBGQ-UHFFFAOYSA-N 0 3 342.826 3.935 20 10 EHCDHN COc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCS2 ZINC000786580235 1133870143 /nfs/dbraw/zinc/87/01/43/1133870143.db2.gz NZYIUHUPBVFILM-QGZVFWFLSA-N 0 3 327.449 3.957 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000788669575 1134159896 /nfs/dbraw/zinc/15/98/96/1134159896.db2.gz DSJSPEUGSIGJNE-UKRRQHHQSA-N 0 3 336.476 3.820 20 10 EHCDHN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c(O)c1 ZINC000788720323 1134162655 /nfs/dbraw/zinc/16/26/55/1134162655.db2.gz VMKMSGVWWKPGPI-QGZVFWFLSA-N 0 3 339.483 3.934 20 10 EHCDHN COCC1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792812646 1134795306 /nfs/dbraw/zinc/79/53/06/1134795306.db2.gz LIQWCEWJYNWMFV-UHFFFAOYSA-N 0 3 330.394 3.630 20 10 EHCDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793190719 1134871809 /nfs/dbraw/zinc/87/18/09/1134871809.db2.gz WESBPROGOJLLIO-CZUORRHYSA-N 0 3 344.421 3.897 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2c1c(F)ccc2[O-] ZINC000793576018 1134961178 /nfs/dbraw/zinc/96/11/78/1134961178.db2.gz XBYKZFVZGYMSKO-ZBEGNZNMSA-N 0 3 325.387 3.788 20 10 EHCDHN CC(C)Oc1ccc([C@@H](C[NH2+]Cc2ccccc2[O-])N(C)C)cc1 ZINC000808428056 1135660935 /nfs/dbraw/zinc/66/09/35/1135660935.db2.gz OOQOHZZUTXAMHE-LJQANCHMSA-N 0 3 328.456 3.572 20 10 EHCDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[O-])CC1 ZINC000808452054 1135670112 /nfs/dbraw/zinc/67/01/12/1135670112.db2.gz WGZDUCYDZHIGCO-WKILWMFISA-N 0 3 348.487 3.813 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c1[O-] ZINC000808690170 1135711353 /nfs/dbraw/zinc/71/13/53/1135711353.db2.gz AWUABFDFSCCHIS-ZDUSSCGKSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000808690734 1135711384 /nfs/dbraw/zinc/71/13/84/1135711384.db2.gz NYURCFWDTBBMIL-GFCCVEGCSA-N 0 3 342.867 3.872 20 10 EHCDHN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775833558 1135789942 /nfs/dbraw/zinc/78/99/42/1135789942.db2.gz DQGKGQWISQLVOM-IRXDYDNUSA-N 0 3 339.483 3.623 20 10 EHCDHN CC[C@H]([NH2+]CCn1ccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215545 1135938541 /nfs/dbraw/zinc/93/85/41/1135938541.db2.gz ZDDJDRYPIFNTBK-AWEZNQCLSA-N 0 3 327.350 3.657 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216379 1135939187 /nfs/dbraw/zinc/93/91/87/1135939187.db2.gz IRBKMTQYKSUTFS-DOMZBBRYSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1[O-] ZINC000776174621 1136021984 /nfs/dbraw/zinc/02/19/84/1136021984.db2.gz PNOUKIJQVZMXMN-UHFFFAOYSA-N 0 3 332.831 3.861 20 10 EHCDHN CSc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000811454042 1136088998 /nfs/dbraw/zinc/08/89/98/1136088998.db2.gz FVUYKQWDGLWRFY-UHFFFAOYSA-N 0 3 348.537 3.939 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1[O-] ZINC000812735873 1136239988 /nfs/dbraw/zinc/23/99/88/1136239988.db2.gz CFLQBTTXXFFZQE-LBPRGKRZSA-N 0 3 333.863 3.817 20 10 EHCDHN CC[C@H](NCc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 ZINC000812737651 1136240139 /nfs/dbraw/zinc/24/01/39/1136240139.db2.gz QRMRHGWMGLNAAE-SFHVURJKSA-N 0 3 326.488 3.606 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)cc1F ZINC000850421087 1136256094 /nfs/dbraw/zinc/25/60/94/1136256094.db2.gz VKNDAEPMCKSIAW-MGPUTAFESA-N 0 3 330.447 3.884 20 10 EHCDHN CC(=O)NCc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000850484332 1136268364 /nfs/dbraw/zinc/26/83/64/1136268364.db2.gz HDOSJGNWKGBLSP-PXAZEXFGSA-N 0 3 342.414 3.506 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2c(C3CCC3)cnn2C)cc1 ZINC000850549716 1136283227 /nfs/dbraw/zinc/28/32/27/1136283227.db2.gz JFWSNGSQYIWHTR-OAHLLOKOSA-N 0 3 326.488 3.995 20 10 EHCDHN Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000850565705 1136286953 /nfs/dbraw/zinc/28/69/53/1136286953.db2.gz HMESGJCJISKPAX-HNNXBMFYSA-N 0 3 328.456 3.708 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(C)cc1[O-] ZINC000813882748 1136372784 /nfs/dbraw/zinc/37/27/84/1136372784.db2.gz JEEVLJVFBQGFRP-GOSISDBHSA-N 0 3 336.435 3.793 20 10 EHCDHN CC[C@H](CC(F)F)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000851807460 1136409754 /nfs/dbraw/zinc/40/97/54/1136409754.db2.gz GOANJNKBKDRISZ-CYBMUJFWSA-N 0 3 330.394 3.638 20 10 EHCDHN O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc2c1CCNC2 ZINC000852869930 1136491243 /nfs/dbraw/zinc/49/12/43/1136491243.db2.gz HTZRWLXPYMXCJG-UHFFFAOYSA-N 0 3 349.478 3.965 20 10 EHCDHN CSC[C@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815583169 1136614671 /nfs/dbraw/zinc/61/46/71/1136614671.db2.gz YKFZXZVBWFOJOZ-PKOBYXMFSA-N 0 3 345.508 3.770 20 10 EHCDHN Cn1ccc(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000815616839 1136619522 /nfs/dbraw/zinc/61/95/22/1136619522.db2.gz ZGXATMNIOSFFAR-HXUWFJFHSA-N 0 3 335.451 3.632 20 10 EHCDHN COc1cc(O)c(CN2CCc3c(C)cc(C)cc3C2)cc1OC ZINC000776776130 1136663781 /nfs/dbraw/zinc/66/37/81/1136663781.db2.gz WCTHSRHLKBEOKQ-UHFFFAOYSA-N 0 3 327.424 3.585 20 10 EHCDHN Cc1ccnc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)c1 ZINC000816492810 1136724833 /nfs/dbraw/zinc/72/48/33/1136724833.db2.gz DVFUABLANMUISN-UHFFFAOYSA-N 0 3 333.435 3.571 20 10 EHCDHN CCC(N)(CC)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817960261 1136852099 /nfs/dbraw/zinc/85/20/99/1136852099.db2.gz LFUVOZOXERHSBH-VIFPVBQESA-N 0 3 349.700 3.976 20 10 EHCDHN COc1ccc(N2CC[C@H](CNCc3ncc(C(C)C)s3)C2)cc1 ZINC000818219222 1136867105 /nfs/dbraw/zinc/86/71/05/1136867105.db2.gz AOIIAUDZLGKRBP-OAHLLOKOSA-N 0 3 345.512 3.891 20 10 EHCDHN COc1ccc(N2CC[C@@H](CNCc3c(F)cccc3F)C2)cc1 ZINC000818220387 1136867703 /nfs/dbraw/zinc/86/77/03/1136867703.db2.gz JSSCOGTWRAVGBR-AWEZNQCLSA-N 0 3 332.394 3.590 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357028 1136875811 /nfs/dbraw/zinc/87/58/11/1136875811.db2.gz URFQYMBAJOUOEX-SKDRFNHKSA-N 0 3 338.404 3.576 20 10 EHCDHN CN(C)c1cc(F)c(CNCCc2noc3ccccc23)cc1F ZINC000858187867 1136947996 /nfs/dbraw/zinc/94/79/96/1136947996.db2.gz NWFVMDMXMRAQLA-UHFFFAOYSA-N 0 3 331.366 3.504 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000858315185 1136957683 /nfs/dbraw/zinc/95/76/83/1136957683.db2.gz IQSJAXZAUSGVMV-HNNXBMFYSA-N 0 3 326.223 3.912 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@H]3CCCc4scnc43)C2)cc1 ZINC000858427285 1136966994 /nfs/dbraw/zinc/96/69/94/1136966994.db2.gz BWUOFTDZPVSOKT-PBHICJAKSA-N 0 3 343.496 3.645 20 10 EHCDHN C[C@@H](NCc1ccc[nH]c1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000858563719 1136978851 /nfs/dbraw/zinc/97/88/51/1136978851.db2.gz YHTKNWQUVXYZAQ-CQSZACIVSA-N 0 3 329.419 3.767 20 10 EHCDHN Cc1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1 ZINC000823923270 1137119894 /nfs/dbraw/zinc/11/98/94/1137119894.db2.gz OGKFZTQXHUEGFU-UHFFFAOYSA-N 0 3 326.469 3.706 20 10 EHCDHN CN(C)c1cc(F)c(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000862384316 1137141563 /nfs/dbraw/zinc/14/15/63/1137141563.db2.gz VAUFDWHJMDCHQV-LSBZLQRGSA-N 0 3 338.442 3.546 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1[O-] ZINC000862482006 1137146267 /nfs/dbraw/zinc/14/62/67/1137146267.db2.gz CHRYJPYUFBBYKE-LJQANCHMSA-N 0 3 347.842 3.538 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1[O-] ZINC000862482006 1137146269 /nfs/dbraw/zinc/14/62/69/1137146269.db2.gz CHRYJPYUFBBYKE-LJQANCHMSA-N 0 3 347.842 3.538 20 10 EHCDHN CO[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C ZINC000824815693 1137153460 /nfs/dbraw/zinc/15/34/60/1137153460.db2.gz WYSJJCDQRHAGSZ-IERDGZPVSA-N 0 3 341.451 3.828 20 10 EHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C ZINC000824815693 1137153461 /nfs/dbraw/zinc/15/34/61/1137153461.db2.gz WYSJJCDQRHAGSZ-IERDGZPVSA-N 0 3 341.451 3.828 20 10 EHCDHN CCOc1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1 ZINC000825046027 1137163350 /nfs/dbraw/zinc/16/33/50/1137163350.db2.gz OOWPDPAFTBCPCD-AWEZNQCLSA-N 0 3 337.341 3.985 20 10 EHCDHN CN(C)c1ccc(CN[C@H]2CCCN(C)c3ccccc32)cc1F ZINC000825112462 1137166026 /nfs/dbraw/zinc/16/60/26/1137166026.db2.gz UHYKFWURGICQAX-SFHVURJKSA-N 0 3 327.447 3.953 20 10 EHCDHN CC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@]2(CCOC2)O1 ZINC000794690575 1137234055 /nfs/dbraw/zinc/23/40/55/1137234055.db2.gz BKUWLDDIPLZBGJ-UTKZUKDTSA-N 0 3 347.499 3.768 20 10 EHCDHN Cc1c2ccccc2n(C)c1CN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC001202514257 1137240453 /nfs/dbraw/zinc/24/04/53/1137240453.db2.gz VTQHWNZGTZHUJP-LJQANCHMSA-N 0 3 349.478 3.796 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794371 1137252807 /nfs/dbraw/zinc/25/28/07/1137252807.db2.gz MTEZRFAKPOEYEF-AZUAARDMSA-N 0 3 326.484 3.914 20 10 EHCDHN CC1CCN(c2ccc(CN[C@@H]3CCCc4nn(C)cc43)cc2)CC1 ZINC000794811686 1137262172 /nfs/dbraw/zinc/26/21/72/1137262172.db2.gz XZSDJNUSJXEHLF-HXUWFJFHSA-N 0 3 338.499 3.824 20 10 EHCDHN CC[C@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812084 1137264118 /nfs/dbraw/zinc/26/41/18/1137264118.db2.gz ZWCGJKVOHMYGMN-WBVHZDCISA-N 0 3 327.424 3.754 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794817066 1137264965 /nfs/dbraw/zinc/26/49/65/1137264965.db2.gz ORELHAGFGDMONT-ROUUACIJSA-N 0 3 330.472 3.675 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000794818529 1137265410 /nfs/dbraw/zinc/26/54/10/1137265410.db2.gz XIPTYYJSUBIPCL-SOLBZPMBSA-N 0 3 348.487 3.998 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000845970628 1137322256 /nfs/dbraw/zinc/32/22/56/1137322256.db2.gz AUOINDICMGHBEN-JTQLQIEISA-N 0 3 341.329 3.976 20 10 EHCDHN COC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(F)c(F)c1 ZINC000846159413 1137336794 /nfs/dbraw/zinc/33/67/94/1137336794.db2.gz OHBGBXLLGZKNPR-MEDUHNTESA-N 0 3 337.366 3.717 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cc(Cl)cc3c2OCC3)c1O ZINC000846162019 1137336966 /nfs/dbraw/zinc/33/69/66/1137336966.db2.gz FFUWSJYKBJSDBJ-LLVKDONJSA-N 0 3 333.815 3.840 20 10 EHCDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(OC)c1O)CCO2 ZINC000846162229 1137337171 /nfs/dbraw/zinc/33/71/71/1137337171.db2.gz CDKVECCGJAFRTK-WBMJQRKESA-N 0 3 329.396 3.584 20 10 EHCDHN CCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(C)ccn1 ZINC000866240377 1137338267 /nfs/dbraw/zinc/33/82/67/1137338267.db2.gz CUIXOFQFZMNWPE-HXUWFJFHSA-N 0 3 339.483 3.858 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c([O-])c1 ZINC000866421613 1137353334 /nfs/dbraw/zinc/35/33/34/1137353334.db2.gz AHLAWFRUSGCEMQ-OAHLLOKOSA-N 0 3 327.424 3.771 20 10 EHCDHN COc1cc(Br)cc([C@H](C)NCc2ccc(C)o2)c1O ZINC000866479555 1137358087 /nfs/dbraw/zinc/35/80/87/1137358087.db2.gz WMZCQNGKOAQDIY-JTQLQIEISA-N 0 3 340.217 3.916 20 10 EHCDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001144978529 1137377388 /nfs/dbraw/zinc/37/73/88/1137377388.db2.gz RHLJNNILZSTSEX-LJQANCHMSA-N 0 3 349.494 3.553 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2CC(OCc3ccccc3)C2)c1[O-] ZINC000716189551 1137479724 /nfs/dbraw/zinc/47/97/24/1137479724.db2.gz PPFZYGRJKADHDC-UHFFFAOYSA-N 0 3 347.842 3.892 20 10 EHCDHN CCOc1ccc(N2CCN([C@@H](C)CCO[C@@H](C)CC)CC2)cc1 ZINC001172348810 1137553393 /nfs/dbraw/zinc/55/33/93/1137553393.db2.gz ROBRZPFTRHKSFW-ROUUACIJSA-N 0 3 334.504 3.801 20 10 EHCDHN COc1ccc(N2CCC([NH2+][C@@H](C)c3cccc([O-])c3F)CC2)cc1 ZINC000872030392 1137566333 /nfs/dbraw/zinc/56/63/33/1137566333.db2.gz DRYAMZJXHMBARI-AWEZNQCLSA-N 0 3 344.430 3.860 20 10 EHCDHN COc1ccc(N2CCC(N[C@H](C)c3cc(O)ccc3F)CC2)cc1 ZINC000872031477 1137566526 /nfs/dbraw/zinc/56/65/26/1137566526.db2.gz PFVVXNWWKQLLMW-CQSZACIVSA-N 0 3 344.430 3.860 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000872814858 1137584920 /nfs/dbraw/zinc/58/49/20/1137584920.db2.gz VUWLXFPMTIVPHG-INIZCTEOSA-N 0 3 325.330 3.699 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000872814858 1137584921 /nfs/dbraw/zinc/58/49/21/1137584921.db2.gz VUWLXFPMTIVPHG-INIZCTEOSA-N 0 3 325.330 3.699 20 10 EHCDHN CCCOc1ccc(CNCc2ccc(C(=O)NCC)cc2)cc1C ZINC000873011753 1137588069 /nfs/dbraw/zinc/58/80/69/1137588069.db2.gz FJKIVZIYZRABBZ-UHFFFAOYSA-N 0 3 340.467 3.823 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2ccsc2)cc1Cn1cccn1 ZINC000873122484 1137590697 /nfs/dbraw/zinc/59/06/97/1137590697.db2.gz SMSUCVITARPMAK-AWEZNQCLSA-N 0 3 327.453 3.852 20 10 EHCDHN CCCN(CC(=O)Nc1ccccc1OC)Cc1c(C)cccc1O ZINC000876536974 1137654837 /nfs/dbraw/zinc/65/48/37/1137654837.db2.gz IOMNOXFXRYIUKK-UHFFFAOYSA-N 0 3 342.439 3.560 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000876944097 1137665839 /nfs/dbraw/zinc/66/58/39/1137665839.db2.gz YNQYKSGICBZCRH-UHFFFAOYSA-N 0 3 328.481 3.544 20 10 EHCDHN COc1ccc(C2(C[NH2+]Cc3c(C)cccc3[O-])CCOCC2)cc1 ZINC000876969333 1137666493 /nfs/dbraw/zinc/66/64/93/1137666493.db2.gz YRFQITJRHGRLKN-UHFFFAOYSA-N 0 3 341.451 3.547 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000877533339 1137680153 /nfs/dbraw/zinc/68/01/53/1137680153.db2.gz MXNIZGIQCIIHKQ-INIZCTEOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000877694222 1137686163 /nfs/dbraw/zinc/68/61/63/1137686163.db2.gz FHNBEGBCVAYENC-SHTZXODSSA-N 0 3 334.460 3.626 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1[O-] ZINC000877698442 1137686180 /nfs/dbraw/zinc/68/61/80/1137686180.db2.gz VCFHKXJQYHKWIX-INIZCTEOSA-N 0 3 339.863 3.883 20 10 EHCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC(=O)C1CC1 ZINC000877757224 1137688254 /nfs/dbraw/zinc/68/82/54/1137688254.db2.gz PSXSVHDAHLGINH-ZDUSSCGKSA-N 0 3 341.407 3.567 20 10 EHCDHN CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879652362 1137754024 /nfs/dbraw/zinc/75/40/24/1137754024.db2.gz ZFXKTSCVDXZMDB-QWHCGFSZSA-N 0 3 330.453 3.792 20 10 EHCDHN Cc1cc(Cn2cc([C@H](N)C(C)(C)C)nn2)ccc1N1CCCCC1 ZINC000881378544 1137806525 /nfs/dbraw/zinc/80/65/25/1137806525.db2.gz FFPHMTULTGCCIP-IBGZPJMESA-N 0 3 341.503 3.671 20 10 EHCDHN CCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccccc1O ZINC000130720932 1137841398 /nfs/dbraw/zinc/84/13/98/1137841398.db2.gz UHWMLXGPWIBBNP-OAHLLOKOSA-N 0 3 344.430 3.621 20 10 EHCDHN CCCN(CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccccc1O ZINC000130721794 1137841403 /nfs/dbraw/zinc/84/14/03/1137841403.db2.gz VQAZUPIYRCRONA-QGZVFWFLSA-N 0 3 340.467 3.824 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CCO)c2ccc(OC)cc2)cc1 ZINC000120200007 1137947265 /nfs/dbraw/zinc/94/72/65/1137947265.db2.gz KVWJMDXDPZSUJO-IERDGZPVSA-N 0 3 342.483 3.926 20 10 EHCDHN CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccccc3[O-])ccc2NC1=O ZINC000183540368 1140044389 /nfs/dbraw/zinc/04/43/89/1140044389.db2.gz PJWCPNPWPZBOIV-ZJNRKIDTSA-N 0 3 340.423 3.914 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+](C)CCc2ccncc2)c1[O-] ZINC000183753554 1140056101 /nfs/dbraw/zinc/05/61/01/1140056101.db2.gz KFYOANFQYKQYNV-UHFFFAOYSA-N 0 3 335.245 3.533 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCc2ccncc2)c1[O-] ZINC000183753554 1140056105 /nfs/dbraw/zinc/05/61/05/1140056105.db2.gz KFYOANFQYKQYNV-UHFFFAOYSA-N 0 3 335.245 3.533 20 10 EHCDHN COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000185312561 1140144332 /nfs/dbraw/zinc/14/43/32/1140144332.db2.gz LJJKPJVGSFQQMX-IRXDYDNUSA-N 0 3 340.467 3.886 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c1[O-] ZINC000187353555 1140251361 /nfs/dbraw/zinc/25/13/61/1140251361.db2.gz VLCZUFAYABNFRH-VXGBXAGGSA-N 0 3 344.293 3.911 20 10 EHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cncc(Br)c1 ZINC000829123713 1140404513 /nfs/dbraw/zinc/40/45/13/1140404513.db2.gz XXXMQHVRGQFDRB-GFCCVEGCSA-N 0 3 334.261 3.761 20 10 EHCDHN OCC1CCN(c2ccc(CN[C@@H]3CCCc4occc43)cc2)CC1 ZINC000192723562 1140546390 /nfs/dbraw/zinc/54/63/90/1140546390.db2.gz MJMYDIBAOSKLGG-HXUWFJFHSA-N 0 3 340.467 3.656 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCOC1CCOCC1 ZINC000266121992 1140643913 /nfs/dbraw/zinc/64/39/13/1140643913.db2.gz AIVQWMZPTPOISI-UHFFFAOYSA-N 0 3 341.451 3.735 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000267242950 1140771738 /nfs/dbraw/zinc/77/17/38/1140771738.db2.gz YFDKAPXQHIGNJD-BFUOFWGJSA-N 0 3 333.403 3.532 20 10 EHCDHN C[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(N2CCCCC2)cc1 ZINC000268779440 1140990622 /nfs/dbraw/zinc/99/06/22/1140990622.db2.gz SOSLWVHTGMVIFD-QGZVFWFLSA-N 0 3 338.499 3.989 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000268873069 1141015453 /nfs/dbraw/zinc/01/54/53/1141015453.db2.gz YGCVXORRUAYPLT-ZDUSSCGKSA-N 0 3 329.400 3.520 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000359874309 201114227 /nfs/dbraw/zinc/11/42/27/201114227.db2.gz RFPFCDWPSHWPCC-DKICVRJWSA-N 0 3 328.431 3.875 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1[O-] ZINC000359959571 201118990 /nfs/dbraw/zinc/11/89/90/201118990.db2.gz WXIZWLIGGGJMSM-RDTXWAMCSA-N 0 3 347.842 3.922 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccccc1[O-] ZINC000155081286 1016119177 /nfs/dbraw/zinc/11/91/77/1016119177.db2.gz CCNMDFUKCYBPRC-CQSZACIVSA-N 0 3 340.345 3.969 20 10 EHCDHN CC[C@@H](NCc1cccnc1OCC(F)(F)F)c1ccccc1O ZINC000155081286 1016119182 /nfs/dbraw/zinc/11/91/82/1016119182.db2.gz CCNMDFUKCYBPRC-CQSZACIVSA-N 0 3 340.345 3.969 20 10 EHCDHN CCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])cc1 ZINC000280003271 1019985312 /nfs/dbraw/zinc/98/53/12/1019985312.db2.gz GCCPSTKFQGUGOE-SFHVURJKSA-N 0 3 326.440 3.691 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(C)cc1[O-] ZINC000280158963 1020137085 /nfs/dbraw/zinc/13/70/85/1020137085.db2.gz QPNUORLOVFPXSX-QGZVFWFLSA-N 0 3 342.439 3.639 20 10 EHCDHN COC(=O)c1cc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc2o1 ZINC000172798572 1032946635 /nfs/dbraw/zinc/94/66/35/1032946635.db2.gz STRVKYKBCSLTPO-UHFFFAOYSA-N 0 3 325.364 3.557 20 10 EHCDHN COC(=O)c1cc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc2o1 ZINC000172798572 1032946652 /nfs/dbraw/zinc/94/66/52/1032946652.db2.gz STRVKYKBCSLTPO-UHFFFAOYSA-N 0 3 325.364 3.557 20 10 EHCDHN CCCCN(Cc1c2c(nn1C)CCSC2)Cc1ccccc1O ZINC000894678767 1022700830 /nfs/dbraw/zinc/70/08/30/1022700830.db2.gz HQWKPAPYJSTTQI-UHFFFAOYSA-N 0 3 345.512 3.717 20 10 EHCDHN COc1cccc(CNCc2ccc(C(=O)OC(C)(C)C)s2)c1O ZINC000894763851 1022877082 /nfs/dbraw/zinc/87/70/82/1022877082.db2.gz BXXAYPTYTPDLBQ-UHFFFAOYSA-N 0 3 349.452 3.707 20 10 EHCDHN C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccccc1[O-] ZINC000760041126 1024220585 /nfs/dbraw/zinc/22/05/85/1024220585.db2.gz WHYIXYHWEOYYPL-JHVJFLLYSA-N 0 3 343.442 3.956 20 10 EHCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000157508303 1024929547 /nfs/dbraw/zinc/92/95/47/1024929547.db2.gz VNZVYUVLRMQYQM-QGZVFWFLSA-N 0 3 326.488 3.990 20 10 EHCDHN CC1CCN(c2ccc(CN[C@H]3CCCc4c3cnn4C)cc2)CC1 ZINC000157521618 1024940306 /nfs/dbraw/zinc/94/03/06/1024940306.db2.gz QGQOTZHUZUIYOE-FQEVSTJZSA-N 0 3 338.499 3.824 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2ccncc2OCC(F)(F)F)c(O)c1 ZINC000281644755 1025324106 /nfs/dbraw/zinc/32/41/06/1025324106.db2.gz PFBCMXMRMSYNMG-GFCCVEGCSA-N 0 3 340.345 3.888 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896515734 1025525333 /nfs/dbraw/zinc/52/53/33/1025525333.db2.gz HSKYPJSEHALJNB-CYBMUJFWSA-N 0 3 344.480 3.726 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896515734 1025525346 /nfs/dbraw/zinc/52/53/46/1025525346.db2.gz HSKYPJSEHALJNB-CYBMUJFWSA-N 0 3 344.480 3.726 20 10 EHCDHN COc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc(OC)c1OC ZINC000272871485 1027157601 /nfs/dbraw/zinc/15/76/01/1027157601.db2.gz OVRHNFNLRSIUQI-QWHCGFSZSA-N 0 3 331.412 3.830 20 10 EHCDHN C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000272933284 1027183413 /nfs/dbraw/zinc/18/34/13/1027183413.db2.gz ZWKNBJZROFFIEZ-LLVKDONJSA-N 0 3 326.318 3.536 20 10 EHCDHN CCCN(CCN(C)C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000729628725 1027328349 /nfs/dbraw/zinc/32/83/49/1027328349.db2.gz ZETKTJCCBXUPMR-UHFFFAOYSA-N 0 3 333.501 3.569 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1cc(F)ccc1[O-] ZINC000273359377 1027391571 /nfs/dbraw/zinc/39/15/71/1027391571.db2.gz DGHDLYVSRFTIFT-BJOHPYRUSA-N 0 3 327.758 3.708 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2cccnc2OCC(F)F)c(O)c1C ZINC000273469381 1027444333 /nfs/dbraw/zinc/44/43/33/1027444333.db2.gz JITXHRCNUOSBFM-CYBMUJFWSA-N 0 3 336.382 3.899 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897319767 1027809755 /nfs/dbraw/zinc/80/97/55/1027809755.db2.gz YLJBPRGRDQDMLC-UHFFFAOYSA-N 0 3 348.450 3.710 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000271785337 1029170081 /nfs/dbraw/zinc/17/00/81/1029170081.db2.gz FNNJRSDZFIHNQH-VERVWZFWSA-N 0 3 337.872 3.942 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000271785332 1029170394 /nfs/dbraw/zinc/17/03/94/1029170394.db2.gz FNNJRSDZFIHNQH-AMXDTQDGSA-N 0 3 337.872 3.942 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000271807465 1029181827 /nfs/dbraw/zinc/18/18/27/1029181827.db2.gz KHTWHDCDOJJKTQ-CABCVRRESA-N 0 3 342.277 3.756 20 10 EHCDHN COC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(C)o1 ZINC000156441448 1029848207 /nfs/dbraw/zinc/84/82/07/1029848207.db2.gz FLMHJKXXRBTJAU-IBGZPJMESA-N 0 3 344.455 3.543 20 10 EHCDHN CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000160582384 1030874190 /nfs/dbraw/zinc/87/41/90/1030874190.db2.gz DGSFKMROMRCKCV-MRXNPFEDSA-N 0 3 339.483 3.743 20 10 EHCDHN C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000278629005 1031723065 /nfs/dbraw/zinc/72/30/65/1031723065.db2.gz RWTXBPYVCAXMLT-IAGOWNOFSA-N 0 3 342.483 3.697 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000760171774 1031762052 /nfs/dbraw/zinc/76/20/52/1031762052.db2.gz PCGKZICCHMHFOU-GJZGRUSLSA-N 0 3 345.874 3.983 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000180624144 1031891237 /nfs/dbraw/zinc/89/12/37/1031891237.db2.gz YXXOOWOTEPZIIE-UHFFFAOYSA-N 0 3 347.777 3.567 20 10 EHCDHN COC(=O)[C@@H](C)C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000780893050 1033841793 /nfs/dbraw/zinc/84/17/93/1033841793.db2.gz MJDSZZNIOLBXTK-HNNXBMFYSA-N 0 3 339.435 3.833 20 10 EHCDHN COC(=O)[C@@H](C)C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000780893050 1033841808 /nfs/dbraw/zinc/84/18/08/1033841808.db2.gz MJDSZZNIOLBXTK-HNNXBMFYSA-N 0 3 339.435 3.833 20 10 EHCDHN COc1cc(Cl)cc(CNC(C)(C)C(=O)Nc2ccccc2)c1O ZINC000761205377 1034437801 /nfs/dbraw/zinc/43/78/01/1034437801.db2.gz AYKUNQJZRUFSEB-UHFFFAOYSA-N 0 3 348.830 3.561 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1[O-] ZINC000761205377 1034437806 /nfs/dbraw/zinc/43/78/06/1034437806.db2.gz AYKUNQJZRUFSEB-UHFFFAOYSA-N 0 3 348.830 3.561 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1[O-] ZINC000761215254 1034578940 /nfs/dbraw/zinc/57/89/40/1034578940.db2.gz HYCKNXIOBPZDFM-UXIGCNINSA-N 0 3 345.917 3.523 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c([O-])c1 ZINC000186152730 1035592197 /nfs/dbraw/zinc/59/21/97/1035592197.db2.gz AJXJISLOZXWEDY-SJORKVTESA-N 0 3 339.483 3.972 20 10 EHCDHN Cc1cc(C)c(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000178132068 1035842512 /nfs/dbraw/zinc/84/25/12/1035842512.db2.gz UQJLGOHZLYPSIZ-KRWDZBQOSA-N 0 3 339.483 3.967 20 10 EHCDHN COc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)c(O)c1OC ZINC000892668630 1037476755 /nfs/dbraw/zinc/47/67/55/1037476755.db2.gz OZDHLOXAOMHUCJ-OAHLLOKOSA-N 0 3 347.386 3.552 20 10 EHCDHN C[C@H]1C[C@@H](NCc2nn(C)c3ccccc23)c2c1c(F)ccc2O ZINC000760898220 1037690432 /nfs/dbraw/zinc/69/04/32/1037690432.db2.gz PCTYLLLMXDSERS-SMDDNHRTSA-N 0 3 325.387 3.756 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121101913 1037954384 /nfs/dbraw/zinc/95/43/84/1037954384.db2.gz VLECEKBOIMIRTB-ZBFHGGJFSA-N 0 3 334.460 3.690 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+](CCCCO)C1CC1 ZINC000183070576 1038666351 /nfs/dbraw/zinc/66/63/51/1038666351.db2.gz BIUKYWTZXHRWGL-UHFFFAOYSA-N 0 3 341.451 3.708 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+](CCCCO)C1CC1 ZINC000183070576 1038666357 /nfs/dbraw/zinc/66/63/57/1038666357.db2.gz BIUKYWTZXHRWGL-UHFFFAOYSA-N 0 3 341.451 3.708 20 10 EHCDHN COc1cccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCCC2)c1 ZINC000183381014 1125543283 /nfs/dbraw/zinc/54/32/83/1125543283.db2.gz FALOMVYERXGNPL-UZLBHIALSA-N 0 3 340.467 3.889 20 10 EHCDHN COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185390984 1126883596 /nfs/dbraw/zinc/88/35/96/1126883596.db2.gz MOFKDNKOXUUQET-LSDHHAIUSA-N 0 3 329.440 4.000 20 10 EHCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC12CCCCC2 ZINC000764954362 1127557217 /nfs/dbraw/zinc/55/72/17/1127557217.db2.gz JQJJHBOWBVQGES-RDTXWAMCSA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC12CCCCC2 ZINC000764954362 1127557220 /nfs/dbraw/zinc/55/72/20/1127557220.db2.gz JQJJHBOWBVQGES-RDTXWAMCSA-N 0 3 331.456 3.610 20 10 EHCDHN COc1ccc2c(c1)nccc2NCc1ccc(N2CCOCC2)cc1 ZINC000765472958 1127617158 /nfs/dbraw/zinc/61/71/58/1127617158.db2.gz UYCWXVSTNQPFHR-UHFFFAOYSA-N 0 3 349.434 3.692 20 10 EHCDHN CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Br)ccc1[O-] ZINC000083526331 1127641406 /nfs/dbraw/zinc/64/14/06/1127641406.db2.gz FQZZJZGUONYBMS-CQSZACIVSA-N 0 3 343.309 3.783 20 10 EHCDHN C[C@H](NCc1scnc1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000785438477 1127744623 /nfs/dbraw/zinc/74/46/23/1127744623.db2.gz HHKBXKAQKUFWRE-AWEZNQCLSA-N 0 3 343.496 3.708 20 10 EHCDHN CCOc1ccc(CNCc2ccc3c(c2)CCCN3C)cc1F ZINC000785443196 1128436283 /nfs/dbraw/zinc/43/62/83/1128436283.db2.gz XAVIFOMBKRCLBD-UHFFFAOYSA-N 0 3 328.431 3.897 20 10 EHCDHN CCCN(CCN(C)C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000921087983 1123463848 /nfs/dbraw/zinc/46/38/48/1123463848.db2.gz JOTHORWKSVOICA-UHFFFAOYSA-N 0 3 345.462 3.647 20 10 EHCDHN Cc1cc(CNCc2ccc3c(c2)CCCO3)cc(N2CCCC2)n1 ZINC000922139829 1129145902 /nfs/dbraw/zinc/14/59/02/1129145902.db2.gz FZVPCRBWAHPVAA-UHFFFAOYSA-N 0 3 337.467 3.605 20 10 EHCDHN CCCCNC(=O)c1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000068353016 1123921750 /nfs/dbraw/zinc/92/17/50/1123921750.db2.gz FOXDTQQMYMBTLG-UHFFFAOYSA-N 0 3 339.483 3.572 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)oc3cc(C)ccc23)c1 ZINC000182396708 1125274600 /nfs/dbraw/zinc/27/46/00/1125274600.db2.gz VZOFKSPUBJEIJA-CYBMUJFWSA-N 0 3 339.391 3.666 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1[O-] ZINC000700751300 1130064257 /nfs/dbraw/zinc/06/42/57/1130064257.db2.gz FNOWVTCCCUPDCD-NUEKZKHPSA-N 0 3 334.460 3.831 20 10 EHCDHN C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847746 1130850229 /nfs/dbraw/zinc/85/02/29/1130850229.db2.gz NIFPTBNSOIMZJY-VQIMIIECSA-N 0 3 344.499 3.832 20 10 EHCDHN C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847746 1130850234 /nfs/dbraw/zinc/85/02/34/1130850234.db2.gz NIFPTBNSOIMZJY-VQIMIIECSA-N 0 3 344.499 3.832 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1COc2ccccc2O1)C1CCCC1 ZINC000733613462 1131061526 /nfs/dbraw/zinc/06/15/26/1131061526.db2.gz XCLJISGXPUAWDN-GOSISDBHSA-N 0 3 339.435 3.977 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1COc2ccccc2O1)C1CCCC1 ZINC000733613462 1131061531 /nfs/dbraw/zinc/06/15/31/1131061531.db2.gz XCLJISGXPUAWDN-GOSISDBHSA-N 0 3 339.435 3.977 20 10 EHCDHN Oc1ccccc1CN(Cc1nnc(-c2ccco2)o1)C1CCCC1 ZINC000733613498 1131061927 /nfs/dbraw/zinc/06/19/27/1131061927.db2.gz YVXGNDTZJNPBEW-UHFFFAOYSA-N 0 3 339.395 3.980 20 10 EHCDHN Cc1ncsc1CC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000738312908 1131468126 /nfs/dbraw/zinc/46/81/26/1131468126.db2.gz YXOCEVKXAWARKN-UHFFFAOYSA-N 0 3 328.437 3.995 20 10 EHCDHN Cc1ncsc1CC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000738312908 1131468127 /nfs/dbraw/zinc/46/81/27/1131468127.db2.gz YXOCEVKXAWARKN-UHFFFAOYSA-N 0 3 328.437 3.995 20 10 EHCDHN C[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073989 1131955062 /nfs/dbraw/zinc/95/50/62/1131955062.db2.gz FUUWAQBNFUKZEP-HOCLYGCPSA-N 0 3 334.460 3.612 20 10 EHCDHN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073989 1131955072 /nfs/dbraw/zinc/95/50/72/1131955072.db2.gz FUUWAQBNFUKZEP-HOCLYGCPSA-N 0 3 334.460 3.612 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000773419715 1132496632 /nfs/dbraw/zinc/49/66/32/1132496632.db2.gz ZDQPNWZEBMEEQJ-LJQANCHMSA-N 0 3 339.435 3.835 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(O)c(OC)c2)cc1 ZINC000768239632 1133112514 /nfs/dbraw/zinc/11/25/14/1133112514.db2.gz IPDYRICVQATDOY-UHFFFAOYSA-N 0 3 328.456 3.879 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000768264024 1133119327 /nfs/dbraw/zinc/11/93/27/1133119327.db2.gz YXSDHYZLCUSNDT-HNNXBMFYSA-N 0 3 335.473 3.522 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768440926 1133139166 /nfs/dbraw/zinc/13/91/66/1133139166.db2.gz HUHGMJDTKWGKMS-WMZOPIPTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768440926 1133139167 /nfs/dbraw/zinc/13/91/67/1133139167.db2.gz HUHGMJDTKWGKMS-WMZOPIPTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768440926 1133139170 /nfs/dbraw/zinc/13/91/70/1133139170.db2.gz HUHGMJDTKWGKMS-WMZOPIPTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CC1CCCCC1)[C@H](O)CO2 ZINC000768443602 1133140094 /nfs/dbraw/zinc/14/00/94/1133140094.db2.gz HKQRYUDVXJZZKN-VQIMIIECSA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CC1CCCCC1)[C@H](O)CO2 ZINC000768443602 1133140098 /nfs/dbraw/zinc/14/00/98/1133140098.db2.gz HKQRYUDVXJZZKN-VQIMIIECSA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000768841769 1133191451 /nfs/dbraw/zinc/19/14/51/1133191451.db2.gz NWHUFNVWINLYFY-INIZCTEOSA-N 0 3 337.419 3.593 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000768870517 1133192922 /nfs/dbraw/zinc/19/29/22/1133192922.db2.gz BMSKNJZEEIUDCJ-UHFFFAOYSA-N 0 3 337.423 3.657 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1F ZINC000768937798 1133206407 /nfs/dbraw/zinc/20/64/07/1133206407.db2.gz BFNLHIPIUTXQAW-KRWDZBQOSA-N 0 3 342.462 3.842 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000769148618 1133234107 /nfs/dbraw/zinc/23/41/07/1133234107.db2.gz PFTGLOIFUQRSJV-NSHDSACASA-N 0 3 328.250 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000769148618 1133234114 /nfs/dbraw/zinc/23/41/14/1133234114.db2.gz PFTGLOIFUQRSJV-NSHDSACASA-N 0 3 328.250 3.785 20 10 EHCDHN COc1cccc(CN2CCSC[C@H]2c2ccc(C)cc2)c1O ZINC000769447235 1133291097 /nfs/dbraw/zinc/29/10/97/1133291097.db2.gz XAMCELQEWJBULR-KRWDZBQOSA-N 0 3 329.465 3.999 20 10 EHCDHN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cc3c(cc2O)OCO3)o1 ZINC000769549995 1133313402 /nfs/dbraw/zinc/31/34/02/1133313402.db2.gz QKZKJEVTUVSPIR-IUODEOHRSA-N 0 3 329.396 3.996 20 10 EHCDHN Cc1ccc(C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001179962943 1133314791 /nfs/dbraw/zinc/31/47/91/1133314791.db2.gz UTBSBPVDIKADDV-UHFFFAOYSA-N 0 3 336.476 3.683 20 10 EHCDHN Cc1ccc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001179962943 1133314796 /nfs/dbraw/zinc/31/47/96/1133314796.db2.gz UTBSBPVDIKADDV-UHFFFAOYSA-N 0 3 336.476 3.683 20 10 EHCDHN CCOCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000769767942 1133339357 /nfs/dbraw/zinc/33/93/57/1133339357.db2.gz DDCOQHVAPKQWSE-FXAWDEMLSA-N 0 3 343.467 3.743 20 10 EHCDHN CCOCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000769767942 1133339364 /nfs/dbraw/zinc/33/93/64/1133339364.db2.gz DDCOQHVAPKQWSE-FXAWDEMLSA-N 0 3 343.467 3.743 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770326670 1133411268 /nfs/dbraw/zinc/41/12/68/1133411268.db2.gz QKVYMLUEBFWXBG-CRAIPNDOSA-N 0 3 345.439 3.862 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770326670 1133411271 /nfs/dbraw/zinc/41/12/71/1133411271.db2.gz QKVYMLUEBFWXBG-CRAIPNDOSA-N 0 3 345.439 3.862 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770328272 1133412523 /nfs/dbraw/zinc/41/25/23/1133412523.db2.gz NLSGIRKBMZBDHH-APWZRJJASA-N 0 3 345.414 3.628 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000770328272 1133412528 /nfs/dbraw/zinc/41/25/28/1133412528.db2.gz NLSGIRKBMZBDHH-APWZRJJASA-N 0 3 345.414 3.628 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c([O-])c1 ZINC000771875533 1133604430 /nfs/dbraw/zinc/60/44/30/1133604430.db2.gz WACWGVUJCCZOBB-FXAWDEMLSA-N 0 3 327.424 3.658 20 10 EHCDHN CCc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480420 1133687394 /nfs/dbraw/zinc/68/73/94/1133687394.db2.gz BQJXOXVOYXXRIO-JKSUJKDBSA-N 0 3 339.483 3.993 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785558375 1133721782 /nfs/dbraw/zinc/72/17/82/1133721782.db2.gz GMRMBZHNEJEWTL-IERDGZPVSA-N 0 3 342.483 3.880 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000785567634 1133727791 /nfs/dbraw/zinc/72/77/91/1133727791.db2.gz GGILRPVKSGJVHP-CXAGYDPISA-N 0 3 334.435 3.506 20 10 EHCDHN Cc1ccc(C[NH2+][C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001183683330 1133840538 /nfs/dbraw/zinc/84/05/38/1133840538.db2.gz BKZVCGNLKNINAI-FXAWDEMLSA-N 0 3 346.471 3.722 20 10 EHCDHN COc1cccc(CN2CCN(c3cc(Cl)ccc3C)CC2)c1O ZINC001203585205 1133916053 /nfs/dbraw/zinc/91/60/53/1133916053.db2.gz NMCOPXIALQREDG-UHFFFAOYSA-N 0 3 346.858 3.685 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)CC1CCCC1 ZINC000789348784 1134253613 /nfs/dbraw/zinc/25/36/13/1134253613.db2.gz QVTZKOWEHYPGKT-SFHVURJKSA-N 0 3 329.440 3.929 20 10 EHCDHN COc1ccc(N2CCCN(Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000789727136 1134327210 /nfs/dbraw/zinc/32/72/10/1134327210.db2.gz FZDMQWKBLYFAOI-UHFFFAOYSA-N 0 3 335.451 3.889 20 10 EHCDHN CN1CCCc2cc(CNCc3ccnn3-c3ccccc3)ccc21 ZINC000790469545 1134421368 /nfs/dbraw/zinc/42/13/68/1134421368.db2.gz ZZXWOSVULFRLDY-UHFFFAOYSA-N 0 3 332.451 3.545 20 10 EHCDHN CC(C)N(C)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790992255 1134489533 /nfs/dbraw/zinc/48/95/33/1134489533.db2.gz VVJLUCAQJUHIHT-MRXNPFEDSA-N 0 3 326.488 3.843 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)sc(=O)n2C)c1ccc(N(C)C)cc1 ZINC000793086801 1134849234 /nfs/dbraw/zinc/84/92/34/1134849234.db2.gz XRWGISHMIDLYPF-ZDUSSCGKSA-N 0 3 341.480 3.517 20 10 EHCDHN CCC[C@H]([NH2+]Cc1ccc(OCC)cc1[O-])[C@@H](O)c1ccccc1 ZINC000793236649 1134881641 /nfs/dbraw/zinc/88/16/41/1134881641.db2.gz JNRVPMDHRUZANT-ICSRJNTNSA-N 0 3 329.440 3.783 20 10 EHCDHN CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1OC ZINC000793386733 1134921376 /nfs/dbraw/zinc/92/13/76/1134921376.db2.gz YLZVMMXYDXHUEW-AWEZNQCLSA-N 0 3 345.439 3.877 20 10 EHCDHN CC[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1[O-] ZINC000775492835 1134946957 /nfs/dbraw/zinc/94/69/57/1134946957.db2.gz UAEZDMRWIGXBQG-KRWDZBQOSA-N 0 3 334.529 3.795 20 10 EHCDHN CCOC1(C)CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000793547875 1134954168 /nfs/dbraw/zinc/95/41/68/1134954168.db2.gz YOVQRAIBFWCBQO-UHFFFAOYSA-N 0 3 329.440 3.945 20 10 EHCDHN FC(F)(F)CC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000793619603 1134973830 /nfs/dbraw/zinc/97/38/30/1134973830.db2.gz IHCHTNYALKLESX-UHFFFAOYSA-N 0 3 342.405 3.688 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOCC(F)(F)F)c1[O-] ZINC000808675655 1135714162 /nfs/dbraw/zinc/71/41/62/1135714162.db2.gz ORUGQWAWLYHFSD-JTQLQIEISA-N 0 3 325.758 3.974 20 10 EHCDHN CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808676007 1135714932 /nfs/dbraw/zinc/71/49/32/1135714932.db2.gz AAKHPNVMZDCALQ-CYBMUJFWSA-N 0 3 326.868 3.653 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1[O-] ZINC000808715263 1135720246 /nfs/dbraw/zinc/72/02/46/1135720246.db2.gz CBINQRZBXWJRCG-VIFPVBQESA-N 0 3 343.748 3.922 20 10 EHCDHN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699869 1135725844 /nfs/dbraw/zinc/72/58/44/1135725844.db2.gz QRMPKTQINBMSDF-VXGBXAGGSA-N 0 3 335.879 3.986 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CC)CO)c([O-])c1 ZINC000809642383 1135864502 /nfs/dbraw/zinc/86/45/02/1135864502.db2.gz FIPQMTSWMWZKBK-SFHVURJKSA-N 0 3 329.440 3.564 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CC)CO)c([O-])c1 ZINC000809642383 1135864508 /nfs/dbraw/zinc/86/45/08/1135864508.db2.gz FIPQMTSWMWZKBK-SFHVURJKSA-N 0 3 329.440 3.564 20 10 EHCDHN C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809702336 1135870892 /nfs/dbraw/zinc/87/08/92/1135870892.db2.gz RVYCSZAYTYNNIJ-KSSFIOAISA-N 0 3 329.465 3.812 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c([O-])c1 ZINC000809738117 1135883274 /nfs/dbraw/zinc/88/32/74/1135883274.db2.gz PSFFDODSOPIYJK-UHFFFAOYSA-N 0 3 327.424 3.909 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c([O-])c1 ZINC000809738117 1135883278 /nfs/dbraw/zinc/88/32/78/1135883278.db2.gz PSFFDODSOPIYJK-UHFFFAOYSA-N 0 3 327.424 3.909 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1cccc(N2CCCC2=O)c1 ZINC001199286685 1135892329 /nfs/dbraw/zinc/89/23/29/1135892329.db2.gz SOEUGUATDKJNME-UHFFFAOYSA-N 0 3 347.462 3.903 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)c(OC)n1 ZINC000810260218 1135944132 /nfs/dbraw/zinc/94/41/32/1135944132.db2.gz GXWPXLJNODFVPH-ZDUSSCGKSA-N 0 3 342.439 3.534 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000811780740 1136135128 /nfs/dbraw/zinc/13/51/28/1136135128.db2.gz WLRVBYALYHPSLE-FUHWJXTLSA-N 0 3 333.472 3.785 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000811780736 1136135141 /nfs/dbraw/zinc/13/51/41/1136135141.db2.gz WLRVBYALYHPSLE-AEFFLSMTSA-N 0 3 333.472 3.785 20 10 EHCDHN COc1cc(CN[C@](C)(CO)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850138810 1136214185 /nfs/dbraw/zinc/21/41/85/1136214185.db2.gz JQPWNLQFILUOAG-OAQYLSRUSA-N 0 3 343.467 3.696 20 10 EHCDHN CO[C@](C)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000812772383 1136244866 /nfs/dbraw/zinc/24/48/66/1136244866.db2.gz LMKJVHGINNYKRM-OAQYLSRUSA-N 0 3 341.451 3.876 20 10 EHCDHN COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000850487713 1136269174 /nfs/dbraw/zinc/26/91/74/1136269174.db2.gz JBCWFTZQOQPVNS-HZPDHXFCSA-N 0 3 326.440 3.639 20 10 EHCDHN CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(F)cn1 ZINC000850489988 1136269971 /nfs/dbraw/zinc/26/99/71/1136269971.db2.gz ZJVBAOHQMTYSHG-YJBOKZPZSA-N 0 3 329.419 3.549 20 10 EHCDHN CCc1cccnc1[C@H](C)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489822 1136270182 /nfs/dbraw/zinc/27/01/82/1136270182.db2.gz XFUAAVITWFXLMM-RDJZCZTQSA-N 0 3 325.456 3.582 20 10 EHCDHN COC(=O)c1nc(CN[C@H](C)c2ccc(C)c(C)c2O)ccc1Cl ZINC000850512971 1136274726 /nfs/dbraw/zinc/27/47/26/1136274726.db2.gz BJKIYPJNUAZFLF-GFCCVEGCSA-N 0 3 348.830 3.695 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000814171588 1136410075 /nfs/dbraw/zinc/41/00/75/1136410075.db2.gz PSGQHRAIFDBNHQ-QGZVFWFLSA-N 0 3 329.465 3.956 20 10 EHCDHN COC(=O)c1ccccc1CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000814171806 1136415553 /nfs/dbraw/zinc/41/55/53/1136415553.db2.gz SZTRCEQKZZNXES-UHFFFAOYSA-N 0 3 339.435 3.634 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc2c1CNC2 ZINC000852777656 1136484835 /nfs/dbraw/zinc/48/48/35/1136484835.db2.gz SQIUVRSDSHERQK-UHFFFAOYSA-N 0 3 349.478 3.552 20 10 EHCDHN Cc1cc(O)c(CN[C@H]2CCc3ccccc3-n3ccnc32)cc1C ZINC000853093477 1136508593 /nfs/dbraw/zinc/50/85/93/1136508593.db2.gz FODFTIPBXYWPTF-SFHVURJKSA-N 0 3 333.435 3.972 20 10 EHCDHN COc1cccc([C@@H](C)N[C@@H]2CCc3ccccc3-n3ccnc32)c1O ZINC000853242851 1136521506 /nfs/dbraw/zinc/52/15/06/1136521506.db2.gz UDMHSQCRYYKROC-RHSMWYFYSA-N 0 3 349.434 3.925 20 10 EHCDHN c1csc(SCCCNCc2conc2Cc2ccccc2)n1 ZINC000815124584 1136553673 /nfs/dbraw/zinc/55/36/73/1136553673.db2.gz DDGHQSBSLNCMOS-UHFFFAOYSA-N 0 3 345.493 3.994 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(-n2cccn2)c(F)c1 ZINC000815150009 1136562768 /nfs/dbraw/zinc/56/27/68/1136562768.db2.gz JMZPJYLJXJUBFR-AWEZNQCLSA-N 0 3 337.398 3.797 20 10 EHCDHN C[C@H](CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])[S@@](C)=O ZINC000815596787 1136616880 /nfs/dbraw/zinc/61/68/80/1136616880.db2.gz DUYULZCIKQDMNG-LNZPYGSCSA-N 0 3 345.508 3.813 20 10 EHCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000815632972 1136621988 /nfs/dbraw/zinc/62/19/88/1136621988.db2.gz CJKKBRLWWNSWTL-WCQYABFASA-N 0 3 326.868 3.557 20 10 EHCDHN [O-]c1c(C[NH+]2CCN(Cc3ccsc3)CC2)ccc2ccccc21 ZINC000816482568 1136723351 /nfs/dbraw/zinc/72/33/51/1136723351.db2.gz KSOPBEANYVMYPF-UHFFFAOYSA-N 0 3 338.476 3.925 20 10 EHCDHN [O-]c1c(C[NH2+]Cc2cccnc2OCC(F)F)ccc2ccccc21 ZINC000816559853 1136737033 /nfs/dbraw/zinc/73/70/33/1136737033.db2.gz XGJXOMCZKYEALV-UHFFFAOYSA-N 0 3 344.361 3.874 20 10 EHCDHN CN(C)c1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1F ZINC000816631263 1136739371 /nfs/dbraw/zinc/73/93/71/1136739371.db2.gz LNBOTVDMJIXTFJ-HXUWFJFHSA-N 0 3 342.458 3.885 20 10 EHCDHN CN1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000816643259 1136743869 /nfs/dbraw/zinc/74/38/69/1136743869.db2.gz ZJVQPIVQTYWILA-INIZCTEOSA-N 0 3 329.271 3.617 20 10 EHCDHN CN1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000816643259 1136743872 /nfs/dbraw/zinc/74/38/72/1136743872.db2.gz ZJVQPIVQTYWILA-INIZCTEOSA-N 0 3 329.271 3.617 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000776866795 1136749611 /nfs/dbraw/zinc/74/96/11/1136749611.db2.gz ZGBOPZNYCIMPHB-PMPSAXMXSA-N 0 3 334.460 3.608 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC2(O)CCC2)c1[O-] ZINC000817587559 1136826247 /nfs/dbraw/zinc/82/62/47/1136826247.db2.gz YQOAGBJCTOGKGD-GFCCVEGCSA-N 0 3 342.277 3.809 20 10 EHCDHN COC1([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000817587829 1136826630 /nfs/dbraw/zinc/82/66/30/1136826630.db2.gz IVQYPRDTLKCWMS-STQMWFEESA-N 0 3 327.852 3.589 20 10 EHCDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000817979675 1136855018 /nfs/dbraw/zinc/85/50/18/1136855018.db2.gz MPKUXFVKOSTACR-CRAIPNDOSA-N 0 3 337.458 3.715 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@@H]3CCc4ccc(Cl)nc43)C2)cc1 ZINC000857914995 1136922375 /nfs/dbraw/zinc/92/23/75/1136922375.db2.gz SDXOVTUUVXXHFG-RHSMWYFYSA-N 0 3 343.858 3.599 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@@H]3CCCc4scnc43)C2)cc1 ZINC000858427287 1136966836 /nfs/dbraw/zinc/96/68/36/1136966836.db2.gz BWUOFTDZPVSOKT-WMLDXEAASA-N 0 3 343.496 3.645 20 10 EHCDHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc(F)cc2)cc1 ZINC000823608154 1137106464 /nfs/dbraw/zinc/10/64/64/1137106464.db2.gz DCYXICVKBXHDPD-UHFFFAOYSA-N 0 3 338.430 3.582 20 10 EHCDHN C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc2O1 ZINC000824650372 1137146220 /nfs/dbraw/zinc/14/62/20/1137146220.db2.gz MSPOPOUBPYAXQY-OXQOHEQNSA-N 0 3 338.451 3.525 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000824673702 1137147683 /nfs/dbraw/zinc/14/76/83/1137147683.db2.gz WITPTDUVKQURJK-HNNXBMFYSA-N 0 3 343.320 3.763 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c([O-])c1 ZINC000825311277 1137174172 /nfs/dbraw/zinc/17/41/72/1137174172.db2.gz HZCRITYOHKCSKA-GOSISDBHSA-N 0 3 347.480 3.846 20 10 EHCDHN CCN(Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000119996117 1137222315 /nfs/dbraw/zinc/22/23/15/1137222315.db2.gz HAWODSLDCPMPDT-UHFFFAOYSA-N 0 3 334.460 3.746 20 10 EHCDHN COc1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)c(O)cc1C ZINC000844720786 1137247739 /nfs/dbraw/zinc/24/77/39/1137247739.db2.gz NXUSAUBWUYQGFI-UHFFFAOYSA-N 0 3 333.325 3.576 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794808530 1137257428 /nfs/dbraw/zinc/25/74/28/1137257428.db2.gz OPYNTTMVCKBKRV-GDBMZVCRSA-N 0 3 334.460 3.751 20 10 EHCDHN CC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(C)cc1[O-] ZINC000794808349 1137257724 /nfs/dbraw/zinc/25/77/24/1137257724.db2.gz AEVRNURQSOZEMS-AWEZNQCLSA-N 0 3 327.350 3.700 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000794817074 1137264968 /nfs/dbraw/zinc/26/49/68/1137264968.db2.gz OTNZSICSIBXGCE-MOPGFXCFSA-N 0 3 338.451 3.855 20 10 EHCDHN COc1cccc([C@@H](C)N[C@@H]2CCOc3c(OC)cccc32)c1O ZINC000846151293 1137336297 /nfs/dbraw/zinc/33/62/97/1137336297.db2.gz ZBIGJCDSKZWHBS-IUODEOHRSA-N 0 3 329.396 3.584 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c2c1c(F)ccc2[O-] ZINC000846201585 1137341561 /nfs/dbraw/zinc/34/15/61/1137341561.db2.gz NOBDCGGNMCRJMY-VYOUMLOHSA-N 0 3 342.414 3.985 20 10 EHCDHN C[C@@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407749 1137352383 /nfs/dbraw/zinc/35/23/83/1137352383.db2.gz XKJDQHQMRXJTPN-ABAIWWIYSA-N 0 3 325.330 3.795 20 10 EHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)CC2 ZINC000866409161 1137352401 /nfs/dbraw/zinc/35/24/01/1137352401.db2.gz IPZAUCRXJRBLDY-JKSUJKDBSA-N 0 3 335.806 3.885 20 10 EHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)c(OC)c1 ZINC000122781473 1137467109 /nfs/dbraw/zinc/46/71/09/1137467109.db2.gz DLLFGGVLVYYFKD-HNNXBMFYSA-N 0 3 328.456 3.929 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC001171871292 1137514900 /nfs/dbraw/zinc/51/49/00/1137514900.db2.gz KMJGTHCIIGADMW-FUHWJXTLSA-N 0 3 338.451 3.738 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872080974 1137570382 /nfs/dbraw/zinc/57/03/82/1137570382.db2.gz UZSWGTOIQGAUNK-CABCVRRESA-N 0 3 344.430 3.717 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)c2c1c(F)ccc2[O-] ZINC000872123770 1137572895 /nfs/dbraw/zinc/57/28/95/1137572895.db2.gz VFNFZUOPYBQAAS-TVQRCGJNSA-N 0 3 328.343 3.716 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4CSC[C@@H]4C3)c2c1 ZINC000872721606 1137583206 /nfs/dbraw/zinc/58/32/06/1137583206.db2.gz ICHNTYVGHYBICH-GJZGRUSLSA-N 0 3 329.465 3.739 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4CSC[C@@H]4C3)c2c1 ZINC000872721606 1137583207 /nfs/dbraw/zinc/58/32/07/1137583207.db2.gz ICHNTYVGHYBICH-GJZGRUSLSA-N 0 3 329.465 3.739 20 10 EHCDHN Cc1cc([O-])c(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1Cl ZINC000825933974 1137670498 /nfs/dbraw/zinc/67/04/98/1137670498.db2.gz CZXPXRLLNRZSGD-KRWDZBQOSA-N 0 3 336.838 3.886 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000877546798 1137680841 /nfs/dbraw/zinc/68/08/41/1137680841.db2.gz UTIALNQSRNSZBV-QGZVFWFLSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000877657329 1137684596 /nfs/dbraw/zinc/68/45/96/1137684596.db2.gz JDWSDOJBDRQCOY-UHFFFAOYSA-N 0 3 341.455 3.806 20 10 EHCDHN C[C@@H]1C[C@@H](C[N@@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703147 1137686466 /nfs/dbraw/zinc/68/64/66/1137686466.db2.gz TWSOZQUYTYGKMX-CABCVRRESA-N 0 3 346.471 3.743 20 10 EHCDHN C[C@@H]1C[C@@H](C[N@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703147 1137686467 /nfs/dbraw/zinc/68/64/67/1137686467.db2.gz TWSOZQUYTYGKMX-CABCVRRESA-N 0 3 346.471 3.743 20 10 EHCDHN CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000877757375 1137688324 /nfs/dbraw/zinc/68/83/24/1137688324.db2.gz UVTUIHCWIKUILK-MJBXVCDLSA-N 0 3 341.398 3.800 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879648358 1137753539 /nfs/dbraw/zinc/75/35/39/1137753539.db2.gz LLCUGCZTTOYIBS-KGLIPLIRSA-N 0 3 346.858 3.916 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H]1c1cccs1)c1ccccc1[O-] ZINC000879648467 1137753698 /nfs/dbraw/zinc/75/36/98/1137753698.db2.gz QIDUCRNNRYKNLA-YCPHGPKFSA-N 0 3 344.480 3.857 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651164 1137753858 /nfs/dbraw/zinc/75/38/58/1137753858.db2.gz KWPSWQYCWQDIJA-RYUDHWBXSA-N 0 3 348.830 3.732 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(C)cc1[O-] ZINC000883263056 1137851283 /nfs/dbraw/zinc/85/12/83/1137851283.db2.gz FUXBEHLWGFOGOU-FUHWJXTLSA-N 0 3 333.472 3.717 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccnc(N3CCCC3)c2)cc1 ZINC000131390421 1137851971 /nfs/dbraw/zinc/85/19/71/1137851971.db2.gz YFASMAUXQAZZIQ-QGZVFWFLSA-N 0 3 338.499 3.989 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2CCCOc3c(OC)cccc32)c([O-])c1 ZINC000883328566 1137855225 /nfs/dbraw/zinc/85/52/25/1137855225.db2.gz TYUVMKJLKYZLLK-QGZVFWFLSA-N 0 3 343.423 3.803 20 10 EHCDHN COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000883330656 1137855453 /nfs/dbraw/zinc/85/54/53/1137855453.db2.gz JCOAZYBVGAJPFY-JKSUJKDBSA-N 0 3 325.408 3.892 20 10 EHCDHN CCOc1ccc(O)c(CN[C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC000883398457 1137859761 /nfs/dbraw/zinc/85/97/61/1137859761.db2.gz NDMAJERUXXPXSM-IBGZPJMESA-N 0 3 337.423 3.519 20 10 EHCDHN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](N)CC1CC1 ZINC000884305271 1137946212 /nfs/dbraw/zinc/94/62/12/1137946212.db2.gz QISSSQUNZKAKLA-DNVCBOLYSA-N 0 3 338.451 3.609 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000301750574 1138635733 /nfs/dbraw/zinc/63/57/33/1138635733.db2.gz BKZUFDDTAZQULY-LSDHHAIUSA-N 0 3 334.460 3.832 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])CC12CCC2 ZINC000302100020 1138712485 /nfs/dbraw/zinc/71/24/85/1138712485.db2.gz WFZWHHUUBQQVFP-INIZCTEOSA-N 0 3 346.471 3.804 20 10 EHCDHN CCOc1cccc(CN2CCC[C@@H]2c2ccc(COC)o2)c1O ZINC000137074410 1138831422 /nfs/dbraw/zinc/83/14/22/1138831422.db2.gz OCVNPCOSNMGAIW-MRXNPFEDSA-N 0 3 331.412 3.867 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(O[C@@H]2CCOC2)c1 ZINC000183557925 1140046166 /nfs/dbraw/zinc/04/61/66/1140046166.db2.gz DGEXAGJRJSRDTA-DOTOQJQBSA-N 0 3 327.424 3.719 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000185160072 1140138221 /nfs/dbraw/zinc/13/82/21/1140138221.db2.gz XIPHEARHAJYNDS-OLZOCXBDSA-N 0 3 344.386 3.900 20 10 EHCDHN C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccccc1[O-] ZINC000186745953 1140219901 /nfs/dbraw/zinc/21/99/01/1140219901.db2.gz BMVMRPRZHTVCAO-GFCCVEGCSA-N 0 3 340.345 3.622 20 10 EHCDHN COc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000268876480 1141015112 /nfs/dbraw/zinc/01/51/12/1141015112.db2.gz BMFOMRCVDNQKDM-UHFFFAOYSA-N 0 3 348.830 3.515 20 10 EHCDHN COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000268876480 1141015120 /nfs/dbraw/zinc/01/51/20/1141015120.db2.gz BMFOMRCVDNQKDM-UHFFFAOYSA-N 0 3 348.830 3.515 20 10 EHCDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000274414419 1141521201 /nfs/dbraw/zinc/52/12/01/1141521201.db2.gz SHTXGHABGPNJQV-KUHUBIRLSA-N 0 3 326.440 3.936 20 10 EHCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)c1 ZINC000359878279 201114998 /nfs/dbraw/zinc/11/49/98/201114998.db2.gz QNUGVZBBIZUZDB-QGZVFWFLSA-N 0 3 343.471 3.775 20 10 EHCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)c1 ZINC000359878279 201115001 /nfs/dbraw/zinc/11/50/01/201115001.db2.gz QNUGVZBBIZUZDB-QGZVFWFLSA-N 0 3 343.471 3.775 20 10 EHCDHN CC(C)c1ccc(O)c(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001574417033 948762700 /nfs/dbraw/zinc/76/27/00/948762700.db2.gz JSQAFTBGHYIFSY-ZDUSSCGKSA-N 0 3 337.427 3.547 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c1[O-] ZINC000275355729 1016544248 /nfs/dbraw/zinc/54/42/48/1016544248.db2.gz RPLNJTLWHZUGDU-SRVKXCTJSA-N 0 3 328.250 3.539 20 10 EHCDHN COc1cc(C)cc(CNCc2ccnc(OC3CCCC3)c2)c1O ZINC000894172374 1019042453 /nfs/dbraw/zinc/04/24/53/1019042453.db2.gz APFNXYVXPJCLMB-UHFFFAOYSA-N 0 3 342.439 3.715 20 10 EHCDHN Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296057356 1021246755 /nfs/dbraw/zinc/24/67/55/1021246755.db2.gz RLVCVEXUKUGYJA-LJQANCHMSA-N 0 3 333.435 3.972 20 10 EHCDHN COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(OC)cc2[O-])c1C ZINC000894636943 1022649259 /nfs/dbraw/zinc/64/92/59/1022649259.db2.gz MOSBGZONBSZUQE-UHFFFAOYSA-N 0 3 329.440 3.762 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c([O-])c1 ZINC000237220393 1024403208 /nfs/dbraw/zinc/40/32/08/1024403208.db2.gz XITAZZBDLKXBQW-UHFFFAOYSA-N 0 3 343.423 3.646 20 10 EHCDHN CCC[N@H+](CCC(=O)Nc1cccc(OC)c1)Cc1ccccc1[O-] ZINC000173282880 1033209399 /nfs/dbraw/zinc/20/93/99/1033209399.db2.gz APKHNYJNMREQSG-UHFFFAOYSA-N 0 3 342.439 3.642 20 10 EHCDHN CCC[N@@H+](CCC(=O)Nc1cccc(OC)c1)Cc1ccccc1[O-] ZINC000173282880 1033209408 /nfs/dbraw/zinc/20/94/08/1033209408.db2.gz APKHNYJNMREQSG-UHFFFAOYSA-N 0 3 342.439 3.642 20 10 EHCDHN C[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1O ZINC000280908681 1024423200 /nfs/dbraw/zinc/42/32/00/1024423200.db2.gz GGYYWHQHGKRAAZ-SMDDNHRTSA-N 0 3 341.329 3.675 20 10 EHCDHN COc1ccc(C2CC2)cc1CNCc1cc(C)cc(OC)c1O ZINC000895535943 1024592782 /nfs/dbraw/zinc/59/27/82/1024592782.db2.gz FVGPLKJHGUKRNW-UHFFFAOYSA-N 0 3 327.424 3.885 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000895706878 1024742337 /nfs/dbraw/zinc/74/23/37/1024742337.db2.gz OJHKOGAOQJXLFV-NRFANRHFSA-N 0 3 334.467 3.789 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896228540 1025261881 /nfs/dbraw/zinc/26/18/81/1025261881.db2.gz SRABZXZSKFRJAA-AWEZNQCLSA-N 0 3 333.325 3.657 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896228540 1025261892 /nfs/dbraw/zinc/26/18/92/1025261892.db2.gz SRABZXZSKFRJAA-AWEZNQCLSA-N 0 3 333.325 3.657 20 10 EHCDHN COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000273379399 1027403405 /nfs/dbraw/zinc/40/34/05/1027403405.db2.gz HYBIPKSDQIYTSD-CQSZACIVSA-N 0 3 345.439 3.886 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760018364 1028571806 /nfs/dbraw/zinc/57/18/06/1028571806.db2.gz OFXOVLIUDPCSHG-SJLPKXTDSA-N 0 3 342.508 3.660 20 10 EHCDHN CN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)OCCCO2 ZINC001142273591 1030345782 /nfs/dbraw/zinc/34/57/82/1030345782.db2.gz BURBNHKJYUISDX-UHFFFAOYSA-N 0 3 326.440 3.546 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(c3noc(C)n3)CC2)cc1 ZINC000092787938 1030522374 /nfs/dbraw/zinc/52/23/74/1030522374.db2.gz SCZJBZJJZKHRLX-UHFFFAOYSA-N 0 3 328.460 3.604 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000527926271 1031419034 /nfs/dbraw/zinc/41/90/34/1031419034.db2.gz KKCGQIVREFPBKW-STQMWFEESA-N 0 3 342.277 3.930 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528002644 1031566127 /nfs/dbraw/zinc/56/61/27/1031566127.db2.gz ZFRRSDPHSWCBJY-BDJLRTHQSA-N 0 3 330.815 3.568 20 10 EHCDHN CC[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000310051902 1034204388 /nfs/dbraw/zinc/20/43/88/1034204388.db2.gz DUMIOPPNHFIEHF-MRXNPFEDSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2(c3ccccc3)CCOCC2)c1[O-] ZINC000761207537 1034448207 /nfs/dbraw/zinc/44/82/07/1034448207.db2.gz PFXCTNUXYOYBSP-UHFFFAOYSA-N 0 3 347.842 3.850 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c([O-])c1 ZINC000186152762 1035592142 /nfs/dbraw/zinc/59/21/42/1035592142.db2.gz AJXJISLOZXWEDY-IAGOWNOFSA-N 0 3 339.483 3.972 20 10 EHCDHN CCCN(CC(=O)Nc1ccccc1C)Cc1cccc(C)c1O ZINC000179566871 1037841531 /nfs/dbraw/zinc/84/15/31/1037841531.db2.gz LSBXWTNOTYRAGS-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000180723070 1038246655 /nfs/dbraw/zinc/24/66/55/1038246655.db2.gz XZQWSGJFYXCTPD-UHFFFAOYSA-N 0 3 343.427 3.772 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccc2[O-])C2CC2)CC1 ZINC000378375352 1038543413 /nfs/dbraw/zinc/54/34/13/1038543413.db2.gz HOLOPGIKYFOPIA-UHFFFAOYSA-N 0 3 346.471 3.756 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccc2[O-])C2CC2)CC1 ZINC000378375352 1038543421 /nfs/dbraw/zinc/54/34/21/1038543421.db2.gz HOLOPGIKYFOPIA-UHFFFAOYSA-N 0 3 346.471 3.756 20 10 EHCDHN CCOc1ccc(C(C)=O)cc1CN[C@H](C)c1cc(OC)ccc1O ZINC000182383804 1038591301 /nfs/dbraw/zinc/59/13/01/1038591301.db2.gz VPSQOKIWKHXHQU-CYBMUJFWSA-N 0 3 343.423 3.853 20 10 EHCDHN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082424 1038667743 /nfs/dbraw/zinc/66/77/43/1038667743.db2.gz WSMHNDUAXMRAIU-VQIMIIECSA-N 0 3 341.451 3.707 20 10 EHCDHN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082424 1038667744 /nfs/dbraw/zinc/66/77/44/1038667744.db2.gz WSMHNDUAXMRAIU-VQIMIIECSA-N 0 3 341.451 3.707 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cc(F)ccc1[O-] ZINC000184911537 1038955567 /nfs/dbraw/zinc/95/55/67/1038955567.db2.gz YTHZNXLHUIOKHC-CQSZACIVSA-N 0 3 325.387 3.627 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3c3ccnn3C)c2c1 ZINC000905742869 1039077334 /nfs/dbraw/zinc/07/73/34/1039077334.db2.gz VLQCRIQJPAXWLR-IBGZPJMESA-N 0 3 337.423 3.625 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3c3ccnn3C)c2c1 ZINC000905742869 1039077352 /nfs/dbraw/zinc/07/73/52/1039077352.db2.gz VLQCRIQJPAXWLR-IBGZPJMESA-N 0 3 337.423 3.625 20 10 EHCDHN Cc1ccc([C@@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c(O)c1 ZINC000186401449 1039359027 /nfs/dbraw/zinc/35/90/27/1039359027.db2.gz AEFRXNSWBGGIRR-MRXNPFEDSA-N 0 3 325.456 3.626 20 10 EHCDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCCc2c1cnn2C ZINC000162736976 1041282351 /nfs/dbraw/zinc/28/23/51/1041282351.db2.gz GDPPEMOVGDHBGK-INIZCTEOSA-N 0 3 343.471 3.638 20 10 EHCDHN COc1ccc(N2CCC(N[C@H](C)c3ncc(C)s3)CC2)cc1 ZINC000162549378 1042737654 /nfs/dbraw/zinc/73/76/54/1042737654.db2.gz MPVHXSGASKTMIC-CQSZACIVSA-N 0 3 331.485 3.780 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000925774825 1042875557 /nfs/dbraw/zinc/87/55/57/1042875557.db2.gz CSLFJCNPZSNLLY-RKDXNWHRSA-N 0 3 339.213 3.594 20 10 EHCDHN COc1cc(OC)cc(OCCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183615918 1125620992 /nfs/dbraw/zinc/62/09/92/1125620992.db2.gz COLYNGYBYKREFN-CQSZACIVSA-N 0 3 331.412 3.529 20 10 EHCDHN CCOc1ncccc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184985765 1126728817 /nfs/dbraw/zinc/72/88/17/1126728817.db2.gz VZZAOKZNWVTYMQ-AWEZNQCLSA-N 0 3 326.440 3.916 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185394693 1126885652 /nfs/dbraw/zinc/88/56/52/1126885652.db2.gz KIMCZNCSADUWGC-JKSUJKDBSA-N 0 3 348.487 3.998 20 10 EHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCCO2 ZINC000765608808 1127705337 /nfs/dbraw/zinc/70/53/37/1127705337.db2.gz LILMOTZFBGTBRA-SFHVURJKSA-N 0 3 325.408 3.634 20 10 EHCDHN c1cnn(Cc2cccc(CNCc3ccc4c(c3)CCCO4)c2)c1 ZINC000921578053 1127752600 /nfs/dbraw/zinc/75/26/00/1127752600.db2.gz NSBABETVURAPSD-UHFFFAOYSA-N 0 3 333.435 3.546 20 10 EHCDHN Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000186401231 1128425183 /nfs/dbraw/zinc/42/51/83/1128425183.db2.gz QBZUMDNTIAYOGK-MRXNPFEDSA-N 0 3 325.456 3.626 20 10 EHCDHN CN(C)c1ccc(CN(C[C@@H](O)c2c(F)cccc2F)C2CC2)cc1 ZINC000917013475 1122438497 /nfs/dbraw/zinc/43/84/97/1122438497.db2.gz CDJOJUQXYNWKDC-LJQANCHMSA-N 0 3 346.421 3.729 20 10 EHCDHN CCOc1cccc(CN[C@@H](C)c2ccc(OC)cc2OC)c1O ZINC000236956155 1123485637 /nfs/dbraw/zinc/48/56/37/1123485637.db2.gz RZTQJZQILFUYGH-ZDUSSCGKSA-N 0 3 331.412 3.659 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000734846016 1131285060 /nfs/dbraw/zinc/28/50/60/1131285060.db2.gz MEVGPWCULXKCFI-UHFFFAOYSA-N 0 3 345.442 3.679 20 10 EHCDHN CO[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183000874 1125417194 /nfs/dbraw/zinc/41/71/94/1125417194.db2.gz QUPSMFVHIXFATE-IBGZPJMESA-N 0 3 327.424 3.582 20 10 EHCDHN CO[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183000874 1125417195 /nfs/dbraw/zinc/41/71/95/1125417195.db2.gz QUPSMFVHIXFATE-IBGZPJMESA-N 0 3 327.424 3.582 20 10 EHCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1cccc(F)c1 ZINC000731847718 1130849057 /nfs/dbraw/zinc/84/90/57/1130849057.db2.gz MXIVBKZTRMOBPQ-UHFFFAOYSA-N 0 3 342.414 3.915 20 10 EHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1cccc(F)c1 ZINC000731847718 1130849065 /nfs/dbraw/zinc/84/90/65/1130849065.db2.gz MXIVBKZTRMOBPQ-UHFFFAOYSA-N 0 3 342.414 3.915 20 10 EHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1cccc(F)c1 ZINC000731847718 1130849070 /nfs/dbraw/zinc/84/90/70/1130849070.db2.gz MXIVBKZTRMOBPQ-UHFFFAOYSA-N 0 3 342.414 3.915 20 10 EHCDHN CN(C)[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000738144423 1131463236 /nfs/dbraw/zinc/46/32/36/1131463236.db2.gz POGPHGLMUZTWIW-CQSZACIVSA-N 0 3 328.456 3.543 20 10 EHCDHN CN(C)[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000738144423 1131463238 /nfs/dbraw/zinc/46/32/38/1131463238.db2.gz POGPHGLMUZTWIW-CQSZACIVSA-N 0 3 328.456 3.543 20 10 EHCDHN CCCN(CC(=O)N(CC)c1ccccc1)Cc1ccccc1O ZINC000743870308 1131994753 /nfs/dbraw/zinc/99/47/53/1131994753.db2.gz POXWGAFFQFRYLD-UHFFFAOYSA-N 0 3 326.440 3.657 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000766608392 1132685897 /nfs/dbraw/zinc/68/58/97/1132685897.db2.gz AXDXARUSSRZONS-OXQOHEQNSA-N 0 3 337.467 3.599 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CC1CCCCC1)[C@@H](O)CO2 ZINC000768443600 1133139076 /nfs/dbraw/zinc/13/90/76/1133139076.db2.gz HKQRYUDVXJZZKN-LPHOPBHVSA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CC1CCCCC1)[C@@H](O)CO2 ZINC000768443600 1133139079 /nfs/dbraw/zinc/13/90/79/1133139079.db2.gz HKQRYUDVXJZZKN-LPHOPBHVSA-N 0 3 331.456 3.753 20 10 EHCDHN C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465520 1133144065 /nfs/dbraw/zinc/14/40/65/1133144065.db2.gz ILMUYLLNJOVJFF-QHLBDZCJSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465520 1133144069 /nfs/dbraw/zinc/14/40/69/1133144069.db2.gz ILMUYLLNJOVJFF-QHLBDZCJSA-N 0 3 343.398 3.540 20 10 EHCDHN COc1ccc([C@@H](CCO)NCc2ccc(N3CCCC3)cc2)cc1 ZINC001178403909 1133166826 /nfs/dbraw/zinc/16/68/26/1133166826.db2.gz AQFMITYGKLZFOI-OAQYLSRUSA-N 0 3 340.467 3.509 20 10 EHCDHN CCCOc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1C ZINC001178483774 1133173208 /nfs/dbraw/zinc/17/32/08/1133173208.db2.gz YTNBESGLCUOSIK-GOSISDBHSA-N 0 3 338.451 3.679 20 10 EHCDHN CC(C)c1ccc(O)c(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC001180076882 1133325118 /nfs/dbraw/zinc/32/51/18/1133325118.db2.gz JWBUZDOZUQQZJB-MRXNPFEDSA-N 0 3 331.378 3.651 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000770288868 1133405513 /nfs/dbraw/zinc/40/55/13/1133405513.db2.gz CFBXGJFVHSLHRQ-CZUORRHYSA-N 0 3 333.453 3.550 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000770288868 1133405517 /nfs/dbraw/zinc/40/55/17/1133405517.db2.gz CFBXGJFVHSLHRQ-CZUORRHYSA-N 0 3 333.453 3.550 20 10 EHCDHN CCN1CCN(c2ccc(NCc3c(O)cccc3Cl)cc2)CC1 ZINC000770484926 1133439532 /nfs/dbraw/zinc/43/95/32/1133439532.db2.gz KFQQKVRCIJYKLK-UHFFFAOYSA-N 0 3 345.874 3.800 20 10 EHCDHN CCN(CC)c1ccc(CN[C@]2(CO)CCc3ccccc32)cc1F ZINC000771200297 1133519177 /nfs/dbraw/zinc/51/91/77/1133519177.db2.gz RYTHOTPQIGXTLN-NRFANRHFSA-N 0 3 342.458 3.596 20 10 EHCDHN CCN1CCN(c2cccc(NCc3c(O)cccc3Cl)c2)CC1 ZINC000771180045 1133522080 /nfs/dbraw/zinc/52/20/80/1133522080.db2.gz USXJHYQXTFBWPP-UHFFFAOYSA-N 0 3 345.874 3.800 20 10 EHCDHN O[C@@]1(C(F)(F)F)CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324478 1133584558 /nfs/dbraw/zinc/58/45/58/1133584558.db2.gz LOMFMSBCOLAKCT-KRWDZBQOSA-N 0 3 342.405 3.566 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000785566985 1133728170 /nfs/dbraw/zinc/72/81/70/1133728170.db2.gz CNRGNBIEZVBYBH-ZWKOTPCHSA-N 0 3 330.472 3.757 20 10 EHCDHN COc1ccc(N2CCCN(Cc3scnc3C3CC3)CC2)cc1 ZINC000787129087 1133962431 /nfs/dbraw/zinc/96/24/31/1133962431.db2.gz PGQODAYDBIXIRV-UHFFFAOYSA-N 0 3 343.496 3.741 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000788564232 1134142949 /nfs/dbraw/zinc/14/29/49/1134142949.db2.gz TWZALDMXNTYMLZ-WBVHZDCISA-N 0 3 331.431 3.650 20 10 EHCDHN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CN1CCCC1 ZINC000791011730 1134496548 /nfs/dbraw/zinc/49/65/48/1134496548.db2.gz ZSESIQYQDWDFHI-UHFFFAOYSA-N 0 3 331.287 3.911 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCSCC[C@H]2C)c1[O-] ZINC000792194987 1134667399 /nfs/dbraw/zinc/66/73/99/1134667399.db2.gz BAPLIPGWCAPPBF-LLVKDONJSA-N 0 3 330.291 3.791 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCSCC[C@H]2C)c1[O-] ZINC000792194987 1134667402 /nfs/dbraw/zinc/66/74/02/1134667402.db2.gz BAPLIPGWCAPPBF-LLVKDONJSA-N 0 3 330.291 3.791 20 10 EHCDHN COc1ccc(CNCc2c(Cl)cccc2N2CCCC2)c(O)c1 ZINC000793388044 1134921145 /nfs/dbraw/zinc/92/11/45/1134921145.db2.gz FGOQKDOXEJXLRB-UHFFFAOYSA-N 0 3 346.858 3.944 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000806175020 1135397670 /nfs/dbraw/zinc/39/76/70/1135397670.db2.gz SEKLAIUVNSCARD-HWPZZCPQSA-N 0 3 343.320 3.934 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000806175021 1135397998 /nfs/dbraw/zinc/39/79/98/1135397998.db2.gz SEKLAIUVNSCARD-MGPLVRAMSA-N 0 3 343.320 3.934 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000808453279 1135670267 /nfs/dbraw/zinc/67/02/67/1135670267.db2.gz CXNXLIWPHDFWKA-KNQAVFIVSA-N 0 3 347.414 3.643 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCCCC2=O)c1[O-] ZINC000808673171 1135714016 /nfs/dbraw/zinc/71/40/16/1135714016.db2.gz ZBGIOZJZKYGRGK-AWEZNQCLSA-N 0 3 338.879 3.797 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)c1[O-] ZINC000808672825 1135714684 /nfs/dbraw/zinc/71/46/84/1135714684.db2.gz HIJQHJRJQJPYKM-DZGCQCFKSA-N 0 3 327.852 3.590 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000808710064 1135718544 /nfs/dbraw/zinc/71/85/44/1135718544.db2.gz LKGQKVXFXUYRMP-JSGCOSHPSA-N 0 3 325.836 3.690 20 10 EHCDHN CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000808717955 1135720915 /nfs/dbraw/zinc/72/09/15/1135720915.db2.gz IWRXUDOGUZCKFI-DYVFJYSZSA-N 0 3 346.858 3.882 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CC2(C(F)(F)F)CC2)c1[O-] ZINC000809706370 1135875403 /nfs/dbraw/zinc/87/54/03/1135875403.db2.gz VUOQBRDLWNVGPC-UHFFFAOYSA-N 0 3 338.167 3.895 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)c1[O-] ZINC000810254197 1135948789 /nfs/dbraw/zinc/94/87/89/1135948789.db2.gz JXQJTADGNOMOKV-OLZOCXBDSA-N 0 3 343.309 3.842 20 10 EHCDHN CN(C)c1ccc(/C=C/CNCc2cccc3c2OCCCO3)cc1 ZINC001201289548 1136000948 /nfs/dbraw/zinc/00/09/48/1136000948.db2.gz YTIZLTCNJAUKOF-GQCTYLIASA-N 0 3 338.451 3.717 20 10 EHCDHN COc1cc(CNCc2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000850034620 1136201152 /nfs/dbraw/zinc/20/11/52/1136201152.db2.gz IYWWRAGQVKRVDC-UHFFFAOYSA-N 0 3 344.411 3.896 20 10 EHCDHN COc1cc(CN[C@@H](C)c2cn(C)nc2C)c(O)c(C(C)(C)C)c1 ZINC000850120022 1136212470 /nfs/dbraw/zinc/21/24/70/1136212470.db2.gz TZDXNKVBCWFJCT-LBPRGKRZSA-N 0 3 331.460 3.591 20 10 EHCDHN Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000850379584 1136246312 /nfs/dbraw/zinc/24/63/12/1136246312.db2.gz CFAQKQJSXIVWJW-UHFFFAOYSA-N 0 3 333.435 3.960 20 10 EHCDHN CC(C)[C@@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850395002 1136248153 /nfs/dbraw/zinc/24/81/53/1136248153.db2.gz LMNFDGJQQPDDLU-VQTJNVASSA-N 0 3 330.447 3.740 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3cccc(F)c3F)C2)cc1 ZINC000850487118 1136268977 /nfs/dbraw/zinc/26/89/77/1136268977.db2.gz GEHLLYFCINGPAA-KGLIPLIRSA-N 0 3 332.394 3.903 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(Cl)cn3)C2)cc1 ZINC000850488887 1136269493 /nfs/dbraw/zinc/26/94/93/1136269493.db2.gz OZCFFQYJTDLCIW-UKRRQHHQSA-N 0 3 331.847 3.673 20 10 EHCDHN CC[C@@H](NCc1ccc(Cl)c(C(=O)OC)n1)c1ccc(C)cc1O ZINC000850515392 1136275022 /nfs/dbraw/zinc/27/50/22/1136275022.db2.gz KPRIKRUBVMNCEK-OAHLLOKOSA-N 0 3 348.830 3.777 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000850566525 1136287491 /nfs/dbraw/zinc/28/74/91/1136287491.db2.gz OYIUAOIBFBVFSO-OAHLLOKOSA-N 0 3 328.431 3.638 20 10 EHCDHN CC(C)(NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000813792140 1136363195 /nfs/dbraw/zinc/36/31/95/1136363195.db2.gz KCTVNQZJNBVHHQ-UHFFFAOYSA-N 0 3 328.431 3.687 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)ccc1OC ZINC000216721374 1136378297 /nfs/dbraw/zinc/37/82/97/1136378297.db2.gz BAHJIFBYERXSCA-UHFFFAOYSA-N 0 3 328.456 3.792 20 10 EHCDHN CC1(C)C[C@@]1(NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000853091847 1136507563 /nfs/dbraw/zinc/50/75/63/1136507563.db2.gz VZQUIWKLVJPYOG-JOCHJYFZSA-N 0 3 336.479 3.938 20 10 EHCDHN CC1=CC[C@@](C)(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686601 1136509205 /nfs/dbraw/zinc/50/92/05/1136509205.db2.gz PLZSEBXIWXEYRN-PZJWPPBQSA-N 0 3 343.515 3.608 20 10 EHCDHN COc1cccc([C@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1O ZINC000853242853 1136521469 /nfs/dbraw/zinc/52/14/69/1136521469.db2.gz UDMHSQCRYYKROC-YOEHRIQHSA-N 0 3 349.434 3.925 20 10 EHCDHN Cc1cc(CN[C@@H](Cn2cccn2)c2ccccc2)ccc1N(C)C ZINC000815071681 1136546668 /nfs/dbraw/zinc/54/66/68/1136546668.db2.gz QGYWQOVVKOCSBY-FQEVSTJZSA-N 0 3 334.467 3.789 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(OC)cc1)c1ccccc1[O-] ZINC000854223821 1136599022 /nfs/dbraw/zinc/59/90/22/1136599022.db2.gz HUBPQFDFYOKOQG-MISYRCLQSA-N 0 3 340.467 3.587 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(N)c2)c1[O-] ZINC000854217476 1136599136 /nfs/dbraw/zinc/59/91/36/1136599136.db2.gz MRDDLOWJTRJADD-NSHDSACASA-N 0 3 335.245 3.896 20 10 EHCDHN [O-]c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521254 1136727101 /nfs/dbraw/zinc/72/71/01/1136727101.db2.gz KRMPHLQOUIKEAU-LAUBAEHRSA-N 0 3 336.479 3.994 20 10 EHCDHN [O-]c1c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521254 1136727102 /nfs/dbraw/zinc/72/71/02/1136727102.db2.gz KRMPHLQOUIKEAU-LAUBAEHRSA-N 0 3 336.479 3.994 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c([O-])c1 ZINC000816631340 1136739856 /nfs/dbraw/zinc/73/98/56/1136739856.db2.gz OENSMQQJAVVGCX-HXUWFJFHSA-N 0 3 341.451 3.784 20 10 EHCDHN C[NH+](C)CCN(Cc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816610696 1136740835 /nfs/dbraw/zinc/74/08/35/1136740835.db2.gz VDNXLHOGYXCCAJ-UHFFFAOYSA-N 0 3 335.451 3.504 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000776865239 1136749022 /nfs/dbraw/zinc/74/90/22/1136749022.db2.gz QOWFNPHSIPRJMX-JYJNAYRXSA-N 0 3 334.460 3.608 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000818342347 1136872789 /nfs/dbraw/zinc/87/27/89/1136872789.db2.gz PMDKDKLCWCAVDN-OXQOHEQNSA-N 0 3 340.467 3.968 20 10 EHCDHN CC[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccccc1[O-] ZINC000818352939 1136874885 /nfs/dbraw/zinc/87/48/85/1136874885.db2.gz QQBQRYYKNGJANU-LJQANCHMSA-N 0 3 340.467 3.572 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccccc1[O-] ZINC000858476273 1136971356 /nfs/dbraw/zinc/97/13/56/1136971356.db2.gz KOKAICNPLBARLQ-YOEHRIQHSA-N 0 3 346.471 3.975 20 10 EHCDHN COc1ccc([C@H](NCc2ccc(N(C)C)c(C)c2)C2CC2)cn1 ZINC000860209919 1137049661 /nfs/dbraw/zinc/04/96/61/1137049661.db2.gz RDGFOWMDAIBXER-HXUWFJFHSA-N 0 3 325.456 3.706 20 10 EHCDHN COc1cc(C)ccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000823671091 1137109278 /nfs/dbraw/zinc/10/92/78/1137109278.db2.gz IDHLQBXYRBPPOF-UHFFFAOYSA-N 0 3 342.508 3.847 20 10 EHCDHN C[C@H](NCc1cc2cccnc2o1)c1ccc(N2CCOCC2)cc1 ZINC000823729626 1137112322 /nfs/dbraw/zinc/11/23/22/1137112322.db2.gz HOFBUEBMDVKIRC-HNNXBMFYSA-N 0 3 337.423 3.515 20 10 EHCDHN CC[C@H](C)[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862386926 1137141895 /nfs/dbraw/zinc/14/18/95/1137141895.db2.gz DKISYTPWQMTDBC-INIZCTEOSA-N 0 3 329.440 3.564 20 10 EHCDHN CC[C@H](C)[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862386926 1137141896 /nfs/dbraw/zinc/14/18/96/1137141896.db2.gz DKISYTPWQMTDBC-INIZCTEOSA-N 0 3 329.440 3.564 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1[O-] ZINC000824926702 1137157980 /nfs/dbraw/zinc/15/79/80/1137157980.db2.gz QKXRZKVADRJKTQ-KRWDZBQOSA-N 0 3 346.858 3.663 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000794815095 1137262766 /nfs/dbraw/zinc/26/27/66/1137262766.db2.gz NDTFBVJWQVTMHQ-WMLDXEAASA-N 0 3 334.460 3.608 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1ccnn1C ZINC000865838385 1137315767 /nfs/dbraw/zinc/31/57/67/1137315767.db2.gz HYDYCMSYZDDFHW-KRWDZBQOSA-N 0 3 346.478 3.834 20 10 EHCDHN COc1ccc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)nc1 ZINC000845997053 1137324385 /nfs/dbraw/zinc/32/43/85/1137324385.db2.gz XBNHSPOXTVYAOJ-UHFFFAOYSA-N 0 3 343.446 3.675 20 10 EHCDHN Oc1cc(OCc2ccccc2)ccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112914 1137333586 /nfs/dbraw/zinc/33/35/86/1137333586.db2.gz UYXOBWSDOWUEGP-CALCHBBNSA-N 0 3 331.362 3.668 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112914 1137333588 /nfs/dbraw/zinc/33/35/88/1137333588.db2.gz UYXOBWSDOWUEGP-CALCHBBNSA-N 0 3 331.362 3.668 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112914 1137333589 /nfs/dbraw/zinc/33/35/89/1137333589.db2.gz UYXOBWSDOWUEGP-CALCHBBNSA-N 0 3 331.362 3.668 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cc3c(cc2OC)C[C@H](C)O3)c1O ZINC000846137752 1137338104 /nfs/dbraw/zinc/33/81/04/1137338104.db2.gz GOTSPRRPHUDVLH-QWHCGFSZSA-N 0 3 343.423 3.584 20 10 EHCDHN COc1cccc([C@@H](C)N[C@H](Cn2cccn2)c2ccccc2)c1O ZINC000846144386 1137338993 /nfs/dbraw/zinc/33/89/93/1137338993.db2.gz KQPAECMGKRELQP-CRAIPNDOSA-N 0 3 337.423 3.689 20 10 EHCDHN Cn1ccnc1[C@@H](Cc1ccccc1)N[C@@H]1CCc2cccc(O)c21 ZINC000846208452 1137339711 /nfs/dbraw/zinc/33/97/11/1137339711.db2.gz YFBZUMIVONMTBU-QZTJIDSGSA-N 0 3 333.435 3.687 20 10 EHCDHN C[C@@H](O)[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1F ZINC000846181685 1137340201 /nfs/dbraw/zinc/34/02/01/1137340201.db2.gz DCKJPKWBOCPQBC-PSOWDDMZSA-N 0 3 333.378 3.930 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(C)cc1[O-] ZINC000846214592 1137341883 /nfs/dbraw/zinc/34/18/83/1137341883.db2.gz HUEBKNHKWNMPQN-IRXDYDNUSA-N 0 3 326.440 3.518 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)c1[O-] ZINC000866615020 1137369606 /nfs/dbraw/zinc/36/96/06/1137369606.db2.gz SCIGUJYRBOLCLI-MNOVXSKESA-N 0 3 338.249 3.608 20 10 EHCDHN COCCc1ncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000876585082 1137656265 /nfs/dbraw/zinc/65/62/65/1137656265.db2.gz YQOLMFWUHCNGMR-UHFFFAOYSA-N 0 3 347.528 3.809 20 10 EHCDHN Cc1ccc(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000876948713 1137666006 /nfs/dbraw/zinc/66/60/06/1137666006.db2.gz LAZDJHUQEDSTGW-UHFFFAOYSA-N 0 3 346.421 3.733 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000877195778 1137672759 /nfs/dbraw/zinc/67/27/59/1137672759.db2.gz QRDRLSPEWAURDW-ZDUSSCGKSA-N 0 3 339.361 3.753 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000877195778 1137672760 /nfs/dbraw/zinc/67/27/60/1137672760.db2.gz QRDRLSPEWAURDW-ZDUSSCGKSA-N 0 3 339.361 3.753 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000877483786 1137677833 /nfs/dbraw/zinc/67/78/33/1137677833.db2.gz POXVFJYJTSVJRB-ZBFHGGJFSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000877582900 1137681972 /nfs/dbraw/zinc/68/19/72/1137681972.db2.gz CFSNYOOLDBNVSM-HXUWFJFHSA-N 0 3 347.405 3.924 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1[O-] ZINC000877757215 1137688300 /nfs/dbraw/zinc/68/83/00/1137688300.db2.gz OVSCOMHBZVGUTH-MAUKXSAKSA-N 0 3 327.424 3.801 20 10 EHCDHN C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877757394 1137688390 /nfs/dbraw/zinc/68/83/90/1137688390.db2.gz XCRWROOGCXCAIF-IFXJQAMLSA-N 0 3 334.460 3.690 20 10 EHCDHN CCOc1c(CN[C@H](C)c2ccccc2O)c(C)nn1CC(C)C ZINC000877756472 1137688408 /nfs/dbraw/zinc/68/84/08/1137688408.db2.gz KRHQJCHDBXYQQM-CQSZACIVSA-N 0 3 331.460 3.803 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c([O-])c1 ZINC000883398272 1137859768 /nfs/dbraw/zinc/85/97/68/1137859768.db2.gz IKCVNTJHPBBYAM-LJQANCHMSA-N 0 3 337.423 3.519 20 10 EHCDHN COc1cc(C)cc(CNCc2ccc(N(C)C)cc2C)c1OC ZINC000885989264 1138030593 /nfs/dbraw/zinc/03/05/93/1138030593.db2.gz ZQWOFAUKEKVIFX-UHFFFAOYSA-N 0 3 328.456 3.676 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccc(C)cc1[O-] ZINC000886769538 1138136645 /nfs/dbraw/zinc/13/66/45/1138136645.db2.gz WUIJUQMAVOPBPG-POSZSDEYSA-N 0 3 333.472 3.714 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000123068775 1138265871 /nfs/dbraw/zinc/26/58/71/1138265871.db2.gz XZVOYQYMPBSJGR-KRWDZBQOSA-N 0 3 329.444 3.523 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000123068775 1138265873 /nfs/dbraw/zinc/26/58/73/1138265873.db2.gz XZVOYQYMPBSJGR-KRWDZBQOSA-N 0 3 329.444 3.523 20 10 EHCDHN CCNC(=O)c1cccc(CN[C@@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000177882567 1139650582 /nfs/dbraw/zinc/65/05/82/1139650582.db2.gz TZSKBRFNIUEYHT-FQEVSTJZSA-N 0 3 339.483 3.743 20 10 EHCDHN Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1O ZINC000183512977 1140044145 /nfs/dbraw/zinc/04/41/45/1140044145.db2.gz IXFXKYZRRWBIPG-GOSISDBHSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1O ZINC000183512977 1140044150 /nfs/dbraw/zinc/04/41/50/1140044150.db2.gz IXFXKYZRRWBIPG-GOSISDBHSA-N 0 3 327.424 3.587 20 10 EHCDHN COc1cc2c(cc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-])O[C@H](C)C2 ZINC000184975668 1140129158 /nfs/dbraw/zinc/12/91/58/1140129158.db2.gz WQJBAZDRCTYRDI-NEPJUHHUSA-N 0 3 331.387 3.714 20 10 EHCDHN CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185087411 1140135703 /nfs/dbraw/zinc/13/57/03/1140135703.db2.gz FGCXTFXJQKAUKG-CYBMUJFWSA-N 0 3 345.418 3.912 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000185111949 1140136289 /nfs/dbraw/zinc/13/62/89/1140136289.db2.gz OFJVARWEXZYQIL-AWEZNQCLSA-N 0 3 342.414 3.899 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1cc(F)ccc1[O-] ZINC000185160096 1140138031 /nfs/dbraw/zinc/13/80/31/1140138031.db2.gz XIPHEARHAJYNDS-QWHCGFSZSA-N 0 3 344.386 3.900 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)c([O-])c1 ZINC000185479037 1140152223 /nfs/dbraw/zinc/15/22/23/1140152223.db2.gz KJSCUZIUIOKKNT-QRWLVFNGSA-N 0 3 329.440 3.872 20 10 EHCDHN COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185701418 1140165035 /nfs/dbraw/zinc/16/50/35/1140165035.db2.gz OJXUUFDZJPMHSH-JTQLQIEISA-N 0 3 341.329 3.992 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000186196753 1140191717 /nfs/dbraw/zinc/19/17/17/1140191717.db2.gz HKYKKZNNJBZDOH-XXFAHNHDSA-N 0 3 327.758 3.708 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cncc(Br)c2)cc1 ZINC000186594795 1140212039 /nfs/dbraw/zinc/21/20/39/1140212039.db2.gz KXFUBIRPFVITAC-UHFFFAOYSA-N 0 3 348.288 3.980 20 10 EHCDHN Cc1noc(C)c1CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000187059936 1140236188 /nfs/dbraw/zinc/23/61/88/1140236188.db2.gz CTUXTGJYNSGPQO-SECBINFHSA-N 0 3 339.233 3.919 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000267242953 1140771152 /nfs/dbraw/zinc/77/11/52/1140771152.db2.gz YFDKAPXQHIGNJD-YJYMSZOUSA-N 0 3 333.403 3.532 20 10 EHCDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccnc1 ZINC000271379788 1141354493 /nfs/dbraw/zinc/35/44/93/1141354493.db2.gz QRCZOMWEVMQADR-OAGGEKHMSA-N 0 3 343.446 3.685 20 10 EHCDHN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CN1CCCCC1 ZINC000038041808 202091425 /nfs/dbraw/zinc/09/14/25/202091425.db2.gz PWPJUIJMOWRQFG-LBPRGKRZSA-N 0 3 331.287 3.911 20 10 EHCDHN C[C@@H](CNCc1cc(Cl)cc(Cl)c1[O-])C[NH+]1CCCCC1 ZINC000038041808 202091429 /nfs/dbraw/zinc/09/14/29/202091429.db2.gz PWPJUIJMOWRQFG-LBPRGKRZSA-N 0 3 331.287 3.911 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1[O-] ZINC000278709874 1032084690 /nfs/dbraw/zinc/08/46/90/1032084690.db2.gz VONABQQIUHJZDQ-UHIISALHSA-N 0 3 328.250 3.539 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccccc1[O-] ZINC000274946518 1015676165 /nfs/dbraw/zinc/67/61/65/1015676165.db2.gz UMUXRHSNWKICNQ-GOSISDBHSA-N 0 3 344.430 3.609 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1[O-] ZINC000275274082 1016249496 /nfs/dbraw/zinc/24/94/96/1016249496.db2.gz CNHRAQYGIGRRLB-GHMZBOCLSA-N 0 3 338.249 3.608 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000155192179 1016282614 /nfs/dbraw/zinc/28/26/14/1016282614.db2.gz MARBGWREQQWVMK-MOPGFXCFSA-N 0 3 338.451 3.797 20 10 EHCDHN CC[C@H](NCc1c(OC)cc(OC)cc1OC)c1ccccc1O ZINC000155214054 1016309259 /nfs/dbraw/zinc/30/92/59/1016309259.db2.gz BCKURKJJWSFLBF-INIZCTEOSA-N 0 3 331.412 3.659 20 10 EHCDHN CCCN(CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000255960831 1019024132 /nfs/dbraw/zinc/02/41/32/1019024132.db2.gz GSOWPYSPTDHSIG-SJLPKXTDSA-N 0 3 332.488 3.641 20 10 EHCDHN CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])c1 ZINC000279988624 1019958510 /nfs/dbraw/zinc/95/85/10/1019958510.db2.gz FDQYXZOVXSHKMD-GOSISDBHSA-N 0 3 326.440 3.691 20 10 EHCDHN COc1ccc(CN(Cc2cccc(F)c2)C2CC2)c(O)c1OC ZINC000891598432 1022072427 /nfs/dbraw/zinc/07/24/27/1022072427.db2.gz TYRXCQGSGRXBSL-UHFFFAOYSA-N 0 3 331.387 3.713 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000895822868 1024877121 /nfs/dbraw/zinc/87/71/21/1024877121.db2.gz MPSUOQOTEOISIO-AWEZNQCLSA-N 0 3 332.469 3.620 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000895822868 1024877138 /nfs/dbraw/zinc/87/71/38/1024877138.db2.gz MPSUOQOTEOISIO-AWEZNQCLSA-N 0 3 332.469 3.620 20 10 EHCDHN CCN(Cc1cc(F)c(F)cc1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527514 1033276259 /nfs/dbraw/zinc/27/62/59/1033276259.db2.gz XPSUBCKANYUCBO-QGZVFWFLSA-N 0 3 346.421 3.767 20 10 EHCDHN CCN(Cc1cc(F)c(F)cc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527514 1033276272 /nfs/dbraw/zinc/27/62/72/1033276272.db2.gz XPSUBCKANYUCBO-QGZVFWFLSA-N 0 3 346.421 3.767 20 10 EHCDHN COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000273347954 1027387851 /nfs/dbraw/zinc/38/78/51/1027387851.db2.gz BBYWIRJIYRCLHS-CQSZACIVSA-N 0 3 328.412 3.772 20 10 EHCDHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305092613 1027798638 /nfs/dbraw/zinc/79/86/38/1027798638.db2.gz YKWWWMDEODAENZ-RDTXWAMCSA-N 0 3 332.419 3.793 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000321855556 1027979423 /nfs/dbraw/zinc/97/94/23/1027979423.db2.gz DFOUQCGLPPHCDR-RBSFLKMASA-N 0 3 334.460 3.879 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000274923316 1029851108 /nfs/dbraw/zinc/85/11/08/1029851108.db2.gz PPJPUVLKCRKIST-MRXNPFEDSA-N 0 3 334.460 3.832 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCc2c1cnn2C ZINC000093863748 1030683690 /nfs/dbraw/zinc/68/36/90/1030683690.db2.gz TZFQRXKWVDJQTG-HXUWFJFHSA-N 0 3 338.499 3.920 20 10 EHCDHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000527971810 1031546115 /nfs/dbraw/zinc/54/61/15/1031546115.db2.gz URCULZLRZSJQAI-FUHWJXTLSA-N 0 3 340.467 3.634 20 10 EHCDHN CCC[N@H+](Cc1cncc(Br)c1)Cc1ccccc1[O-] ZINC000170779225 1033602102 /nfs/dbraw/zinc/60/21/02/1033602102.db2.gz SSGFYQLKGOBMGN-UHFFFAOYSA-N 0 3 335.245 3.962 20 10 EHCDHN CCC[N@@H+](Cc1cncc(Br)c1)Cc1ccccc1[O-] ZINC000170779225 1033602112 /nfs/dbraw/zinc/60/21/12/1033602112.db2.gz SSGFYQLKGOBMGN-UHFFFAOYSA-N 0 3 335.245 3.962 20 10 EHCDHN CCN(Cc1ccccc1)c1ccc(CNCc2cncn2C)cc1 ZINC000289901212 1033695444 /nfs/dbraw/zinc/69/54/44/1033695444.db2.gz RAMRWLBVHYGPHR-UHFFFAOYSA-N 0 3 334.467 3.736 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)c1cc(F)ccc1[O-] ZINC000310311546 1034328070 /nfs/dbraw/zinc/32/80/70/1034328070.db2.gz UCKXINOVGGTEMY-DOXZYTNZSA-N 0 3 328.431 3.845 20 10 EHCDHN Cc1nc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)s1 ZINC000898450426 1039047576 /nfs/dbraw/zinc/04/75/76/1039047576.db2.gz RIPSGSYACHRNAM-ACJLOTCBSA-N 0 3 346.544 3.779 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(C)cc1[O-] ZINC000279918726 1039090370 /nfs/dbraw/zinc/09/03/70/1039090370.db2.gz AAMZKSDLJIESNB-GOSISDBHSA-N 0 3 340.423 3.898 20 10 EHCDHN COc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c([O-])c1 ZINC000092661129 1039628669 /nfs/dbraw/zinc/62/86/69/1039628669.db2.gz OHHZVLBUVIJWLE-UHFFFAOYSA-N 0 3 331.387 3.583 20 10 EHCDHN COc1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)c(O)c1OC ZINC000893316494 1040158312 /nfs/dbraw/zinc/15/83/12/1040158312.db2.gz FIDORZKIGNRFBC-OAHLLOKOSA-N 0 3 347.386 3.552 20 10 EHCDHN CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000310876698 1040319380 /nfs/dbraw/zinc/31/93/80/1040319380.db2.gz QTEOTLCWQNOQHS-MRXNPFEDSA-N 0 3 344.455 3.536 20 10 EHCDHN Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000186123178 1127289006 /nfs/dbraw/zinc/28/90/06/1127289006.db2.gz SWKBNBCGPDXQEN-AWEZNQCLSA-N 0 3 325.387 3.876 20 10 EHCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC12CCCCC2 ZINC000764954358 1127557188 /nfs/dbraw/zinc/55/71/88/1127557188.db2.gz JQJJHBOWBVQGES-KDOFPFPSSA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC12CCCCC2 ZINC000764954358 1127557189 /nfs/dbraw/zinc/55/71/89/1127557189.db2.gz JQJJHBOWBVQGES-KDOFPFPSSA-N 0 3 331.456 3.610 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000765788827 1128369153 /nfs/dbraw/zinc/36/91/53/1128369153.db2.gz QASVGCDAKJSGGF-DOTOQJQBSA-N 0 3 339.357 3.851 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000917031260 1122446818 /nfs/dbraw/zinc/44/68/18/1122446818.db2.gz ZRYGJWJTQVRFHE-UHFFFAOYSA-N 0 3 327.428 3.991 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCCO1 ZINC000182980828 1125412827 /nfs/dbraw/zinc/41/28/27/1125412827.db2.gz DBKYWBYZXWUWGD-IBGZPJMESA-N 0 3 327.424 3.582 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCCO1 ZINC000182980828 1125412832 /nfs/dbraw/zinc/41/28/32/1125412832.db2.gz DBKYWBYZXWUWGD-IBGZPJMESA-N 0 3 327.424 3.582 20 10 EHCDHN CC(C)CN(C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)C1CC1 ZINC000732205814 1130900398 /nfs/dbraw/zinc/90/03/98/1130900398.db2.gz ZTRBGCKABGVQKW-UHFFFAOYSA-N 0 3 344.499 3.784 20 10 EHCDHN CC(C)CN(C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C1CC1 ZINC000732205814 1130900404 /nfs/dbraw/zinc/90/04/04/1130900404.db2.gz ZTRBGCKABGVQKW-UHFFFAOYSA-N 0 3 344.499 3.784 20 10 EHCDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)C1=CC(=O)CS1 ZINC000732281501 1130909023 /nfs/dbraw/zinc/90/90/23/1130909023.db2.gz MLUWQWBKPAWGGL-UHFFFAOYSA-N 0 3 348.493 3.563 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000733798337 1131083012 /nfs/dbraw/zinc/08/30/12/1131083012.db2.gz QJAXSDLBIALUPD-OAQYLSRUSA-N 0 3 341.451 3.975 20 10 EHCDHN C[C@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073985 1131955181 /nfs/dbraw/zinc/95/51/81/1131955181.db2.gz FSGXZMSSUFJIFF-HOCLYGCPSA-N 0 3 346.471 3.538 20 10 EHCDHN C[C@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073985 1131955185 /nfs/dbraw/zinc/95/51/85/1131955185.db2.gz FSGXZMSSUFJIFF-HOCLYGCPSA-N 0 3 346.471 3.538 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768257187 1133118128 /nfs/dbraw/zinc/11/81/28/1133118128.db2.gz JKKCDIDHWNCFFO-UHFFFAOYSA-N 0 3 326.440 3.631 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768257187 1133118131 /nfs/dbraw/zinc/11/81/31/1133118131.db2.gz JKKCDIDHWNCFFO-UHFFFAOYSA-N 0 3 326.440 3.631 20 10 EHCDHN Cc1cccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC(C)C)c1 ZINC000768438998 1133137905 /nfs/dbraw/zinc/13/79/05/1133137905.db2.gz CTFNFPJQSTVUDS-HXUWFJFHSA-N 0 3 341.451 3.785 20 10 EHCDHN Cc1cccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC(C)C)c1 ZINC000768438998 1133137907 /nfs/dbraw/zinc/13/79/07/1133137907.db2.gz CTFNFPJQSTVUDS-HXUWFJFHSA-N 0 3 341.451 3.785 20 10 EHCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)Cc1cccc2ccccc21 ZINC000768439082 1133138347 /nfs/dbraw/zinc/13/83/47/1133138347.db2.gz GPRUJPOVKFVZGL-HXUWFJFHSA-N 0 3 335.403 3.603 20 10 EHCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)Cc1cccc2ccccc21 ZINC000768439082 1133138349 /nfs/dbraw/zinc/13/83/49/1133138349.db2.gz GPRUJPOVKFVZGL-HXUWFJFHSA-N 0 3 335.403 3.603 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000769244414 1133250405 /nfs/dbraw/zinc/25/04/05/1133250405.db2.gz NZZKBJIENRKSLP-AWEZNQCLSA-N 0 3 340.261 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000769244414 1133250408 /nfs/dbraw/zinc/25/04/08/1133250408.db2.gz NZZKBJIENRKSLP-AWEZNQCLSA-N 0 3 340.261 3.928 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000769506209 1133304742 /nfs/dbraw/zinc/30/47/42/1133304742.db2.gz DCDQYPZNKVKVEF-LJQANCHMSA-N 0 3 341.451 3.663 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000769506209 1133304746 /nfs/dbraw/zinc/30/47/46/1133304746.db2.gz DCDQYPZNKVKVEF-LJQANCHMSA-N 0 3 341.451 3.663 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(C)c3)c2)CC1 ZINC000770142570 1133392657 /nfs/dbraw/zinc/39/26/57/1133392657.db2.gz BNKWFJBUCGFVMW-UHFFFAOYSA-N 0 3 337.467 3.698 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C)c3F)c2)CC1 ZINC000770147866 1133393666 /nfs/dbraw/zinc/39/36/66/1133393666.db2.gz MTMLYXHVSMRXOU-UHFFFAOYSA-N 0 3 341.430 3.528 20 10 EHCDHN CCN(CC)c1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1F ZINC000770328869 1133412143 /nfs/dbraw/zinc/41/21/43/1133412143.db2.gz XODIWMHFTUTOMV-OXQOHEQNSA-N 0 3 344.478 3.952 20 10 EHCDHN Cc1ccc(C[NH2+]CCCCC(=O)OCc2ccccc2)c([O-])c1 ZINC001180802631 1133417811 /nfs/dbraw/zinc/41/78/11/1133417811.db2.gz UCDOPXUZSCAMPL-UHFFFAOYSA-N 0 3 327.424 3.704 20 10 EHCDHN CCOc1cc2c(cc1OCC)CN(Cc1ccccc1O)CC2 ZINC000770509710 1133435641 /nfs/dbraw/zinc/43/56/41/1133435641.db2.gz RVUQQGAKJVUVAN-UHFFFAOYSA-N 0 3 327.424 3.748 20 10 EHCDHN COc1cc(C)c(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c([O-])c1 ZINC001181486912 1133497733 /nfs/dbraw/zinc/49/77/33/1133497733.db2.gz MVHFLXQSWHHCFY-UHFFFAOYSA-N 0 3 327.424 3.827 20 10 EHCDHN COc1cc(C)c(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c([O-])c1 ZINC001181486912 1133497737 /nfs/dbraw/zinc/49/77/37/1133497737.db2.gz MVHFLXQSWHHCFY-UHFFFAOYSA-N 0 3 327.424 3.827 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000774481017 1133687354 /nfs/dbraw/zinc/68/73/54/1133687354.db2.gz GZDLBUYPPBYHLL-SAGLZJIZSA-N 0 3 345.531 3.733 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c([O-])c1 ZINC000788531867 1134144075 /nfs/dbraw/zinc/14/40/75/1134144075.db2.gz GVQUZUKGKXEGSC-KRWDZBQOSA-N 0 3 340.467 3.797 20 10 EHCDHN Cc1ccc(F)c(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000775169403 1134473374 /nfs/dbraw/zinc/47/33/74/1134473374.db2.gz XBQWIJVJRRSESA-UHFFFAOYSA-N 0 3 341.474 3.518 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000775371738 1134675496 /nfs/dbraw/zinc/67/54/96/1134675496.db2.gz QCMLWYKYSJMDTM-SNVBAGLBSA-N 0 3 336.775 3.813 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000775416646 1134759341 /nfs/dbraw/zinc/75/93/41/1134759341.db2.gz VYWDQTBQNUEVCX-RTBURBONSA-N 0 3 338.451 3.937 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@](C)(O)CC2)c(C(F)(F)F)c1 ZINC000793249481 1134888917 /nfs/dbraw/zinc/88/89/17/1134888917.db2.gz FHNRQQRUCHEPRN-INIZCTEOSA-N 0 3 330.394 3.508 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000775501253 1134962938 /nfs/dbraw/zinc/96/29/38/1134962938.db2.gz DMIGANRBYWNHBN-WMLDXEAASA-N 0 3 332.394 3.990 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000793609695 1134971851 /nfs/dbraw/zinc/97/18/51/1134971851.db2.gz RFZKAFLANIIUGY-GJZGRUSLSA-N 0 3 340.261 3.607 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000793609695 1134971856 /nfs/dbraw/zinc/97/18/56/1134971856.db2.gz RFZKAFLANIIUGY-GJZGRUSLSA-N 0 3 340.261 3.607 20 10 EHCDHN CN(C)c1ccc(CN2CC[C@@]3(C2)CCCOC3)c(C(F)(F)F)c1 ZINC000793620878 1134973482 /nfs/dbraw/zinc/97/34/82/1134973482.db2.gz RTYWJFHBJMEFNL-QGZVFWFLSA-N 0 3 342.405 3.774 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)c2c1c(F)ccc2[O-] ZINC000775561878 1135098044 /nfs/dbraw/zinc/09/80/44/1135098044.db2.gz GFMAYGIAFOLOTJ-LRDDRELGSA-N 0 3 339.414 3.799 20 10 EHCDHN COC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775694925 1135531743 /nfs/dbraw/zinc/53/17/43/1135531743.db2.gz QEFRLVTWJAKIID-UHFFFAOYSA-N 0 3 325.836 3.519 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1[O-] ZINC000808717923 1135721264 /nfs/dbraw/zinc/72/12/64/1135721264.db2.gz NHXKAUKDIUJIIL-PBHICJAKSA-N 0 3 333.859 3.998 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc3C2)c2c1c(F)ccc2[O-] ZINC000808727901 1135726881 /nfs/dbraw/zinc/72/68/81/1135726881.db2.gz KPXQTAQLZYVBDO-WDBKCZKBSA-N 0 3 331.362 3.812 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C1CCCCC1 ZINC000775834864 1135795267 /nfs/dbraw/zinc/79/52/67/1135795267.db2.gz RFJAVCVUBMGKRI-HZPDHXFCSA-N 0 3 331.504 3.583 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC000776000915 1135916752 /nfs/dbraw/zinc/91/67/52/1135916752.db2.gz ZXKJYOQYHPMVOZ-LLVKDONJSA-N 0 3 328.250 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC000776000915 1135916749 /nfs/dbraw/zinc/91/67/49/1135916749.db2.gz ZXKJYOQYHPMVOZ-LLVKDONJSA-N 0 3 328.250 3.785 20 10 EHCDHN C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)C1 ZINC000776337107 1136157888 /nfs/dbraw/zinc/15/78/88/1136157888.db2.gz RPXKWJGDJKSEJZ-AWEZNQCLSA-N 0 3 340.423 3.582 20 10 EHCDHN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)C1 ZINC000776337107 1136157890 /nfs/dbraw/zinc/15/78/90/1136157890.db2.gz RPXKWJGDJKSEJZ-AWEZNQCLSA-N 0 3 340.423 3.582 20 10 EHCDHN CCn1cc([C@H](C)NCc2cc(OC)cc(C(C)(C)C)c2O)cn1 ZINC000850316903 1136234667 /nfs/dbraw/zinc/23/46/67/1136234667.db2.gz LETBQFKVLZJJNB-ZDUSSCGKSA-N 0 3 331.460 3.766 20 10 EHCDHN CCCC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccccc1[O-] ZINC000812761987 1136238533 /nfs/dbraw/zinc/23/85/33/1136238533.db2.gz QQSGVZDIZZGDIO-UHFFFAOYSA-N 0 3 344.455 3.628 20 10 EHCDHN CCCC[N@@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccccc1[O-] ZINC000812761987 1136238537 /nfs/dbraw/zinc/23/85/37/1136238537.db2.gz QQSGVZDIZZGDIO-UHFFFAOYSA-N 0 3 344.455 3.628 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c([O-])c1 ZINC000850356164 1136240021 /nfs/dbraw/zinc/24/00/21/1136240021.db2.gz RZCJRQMCWNGDET-MRXNPFEDSA-N 0 3 347.377 3.771 20 10 EHCDHN CCOc1ccc(O)c(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850356499 1136240112 /nfs/dbraw/zinc/24/01/12/1136240112.db2.gz WKAKGZGUTQBMAW-MRXNPFEDSA-N 0 3 347.377 3.771 20 10 EHCDHN COC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850361632 1136241157 /nfs/dbraw/zinc/24/11/57/1136241157.db2.gz ABHWSZKDCCDPQQ-NGXITPROSA-N 0 3 340.467 3.752 20 10 EHCDHN COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000850487710 1136269108 /nfs/dbraw/zinc/26/91/08/1136269108.db2.gz JBCWFTZQOQPVNS-HOTGVXAUSA-N 0 3 326.440 3.639 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccncc3Cl)C2)cc1 ZINC000850489165 1136270232 /nfs/dbraw/zinc/27/02/32/1136270232.db2.gz WBYSFQKOWXSIJE-UONOGXRCSA-N 0 3 331.847 3.673 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)c1[O-] ZINC000850570086 1136288659 /nfs/dbraw/zinc/28/86/59/1136288659.db2.gz DCZFZWYUXXMVJW-VXGBXAGGSA-N 0 3 342.277 3.929 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccccc1[O-] ZINC000850576993 1136291473 /nfs/dbraw/zinc/29/14/73/1136291473.db2.gz VKLISGVSPSIIBG-KFKAGJAMSA-N 0 3 338.451 3.784 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c([O-])c1 ZINC000776497763 1136312145 /nfs/dbraw/zinc/31/21/45/1136312145.db2.gz FEEAPYNTJPQDPV-YJYMSZOUSA-N 0 3 333.403 3.796 20 10 EHCDHN Cc1cccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000814170236 1136415224 /nfs/dbraw/zinc/41/52/24/1136415224.db2.gz SOSFRVHDMBMJTO-UHFFFAOYSA-N 0 3 342.458 3.911 20 10 EHCDHN CCCN(CC(=O)NCCC1=CCCCC1)Cc1ccccc1O ZINC000110733257 1136471698 /nfs/dbraw/zinc/47/16/98/1136471698.db2.gz JHIASGZAWMFZKY-UHFFFAOYSA-N 0 3 330.472 3.611 20 10 EHCDHN CCN(C)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 ZINC000815118314 1136552036 /nfs/dbraw/zinc/55/20/36/1136552036.db2.gz MXIKHLGZJUIZLR-YJBOKZPZSA-N 0 3 347.503 3.630 20 10 EHCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)CC(C)(C)C)N(C)C)cc1 ZINC001134886320 1136561162 /nfs/dbraw/zinc/56/11/62/1136561162.db2.gz ZBBOZYVPFGACLV-GOSISDBHSA-N 0 3 347.547 3.934 20 10 EHCDHN C[C@H]([NH2+]CC1(N)CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000854223946 1136599636 /nfs/dbraw/zinc/59/96/36/1136599636.db2.gz TZWRYNXBIUYFLR-VIFPVBQESA-N 0 3 347.684 3.730 20 10 EHCDHN C[C@](O)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815577953 1136613708 /nfs/dbraw/zinc/61/37/08/1136613708.db2.gz DOWLVTFMQCVXMM-CTNGQTDRSA-N 0 3 325.452 3.817 20 10 EHCDHN C[C@H]1CCN(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815585699 1136614520 /nfs/dbraw/zinc/61/45/20/1136614520.db2.gz PRXGACQXFYWCDV-GHTZIAJQSA-N 0 3 338.495 3.998 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCC1CC(O)C1 ZINC000815621161 1136620351 /nfs/dbraw/zinc/62/03/51/1136620351.db2.gz NKBXUCLDCLZBPT-AFMYVXGZSA-N 0 3 325.452 3.817 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000815627665 1136621554 /nfs/dbraw/zinc/62/15/54/1136621554.db2.gz GGOBCYNQBDPFAO-YRISNDGFSA-N 0 3 325.452 3.826 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])C(C)(C)O ZINC000815652234 1136626815 /nfs/dbraw/zinc/62/68/15/1136626815.db2.gz UTHAFPAMLCSNFV-MFKMUULPSA-N 0 3 330.266 3.663 20 10 EHCDHN CC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])C(C)(C)O ZINC000815652235 1136626993 /nfs/dbraw/zinc/62/69/93/1136626993.db2.gz UTHAFPAMLCSNFV-ZWNOBZJWSA-N 0 3 330.266 3.663 20 10 EHCDHN CCN(Cc1ccccc1)C(=O)CNCc1c(C)c2ccccc2n1C ZINC001649145442 1136699786 /nfs/dbraw/zinc/69/97/86/1136699786.db2.gz WSCBTBSADRMFGM-UHFFFAOYSA-N 0 3 349.478 3.625 20 10 EHCDHN CCCC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1[O-] ZINC000816601048 1136739808 /nfs/dbraw/zinc/73/98/08/1136739808.db2.gz PRLFVSVPRNXOMD-UHFFFAOYSA-N 0 3 340.423 3.639 20 10 EHCDHN CCCC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1[O-] ZINC000816601048 1136739811 /nfs/dbraw/zinc/73/98/11/1136739811.db2.gz PRLFVSVPRNXOMD-UHFFFAOYSA-N 0 3 340.423 3.639 20 10 EHCDHN Cc1ncsc1/C=C\C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000776845516 1136746060 /nfs/dbraw/zinc/74/60/60/1136746060.db2.gz ADHLQBVQOURBBR-KTKRTIGZSA-N 0 3 341.480 3.594 20 10 EHCDHN COc1ccc(N2CCC(N[C@@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000818229902 1136867978 /nfs/dbraw/zinc/86/79/78/1136867978.db2.gz HHUMBAQUIVROOU-NHCUHLMSSA-N 0 3 340.442 3.891 20 10 EHCDHN CN(C)c1cc(F)c(CNC[C@@H](O)c2ccc(Cl)cc2)cc1F ZINC000858091087 1136938664 /nfs/dbraw/zinc/93/86/64/1136938664.db2.gz NVYRSZWENXDIIO-QGZVFWFLSA-N 0 3 340.801 3.507 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1[O-] ZINC000858489445 1136972612 /nfs/dbraw/zinc/97/26/12/1136972612.db2.gz CVUHNXWRNLDPRU-PBHICJAKSA-N 0 3 346.858 3.602 20 10 EHCDHN CCc1cc(CNCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1 ZINC000823860582 1137116788 /nfs/dbraw/zinc/11/67/88/1137116788.db2.gz HKDYLVVLOMKIJW-UHFFFAOYSA-N 0 3 340.496 3.960 20 10 EHCDHN COC[C@@]1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000824582977 1137145261 /nfs/dbraw/zinc/14/52/61/1137145261.db2.gz GHPHISBXGKNYNR-INIZCTEOSA-N 0 3 330.394 3.630 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000824799026 1137152751 /nfs/dbraw/zinc/15/27/51/1137152751.db2.gz JHQBRXCQYIROOH-SWLSCSKDSA-N 0 3 327.852 3.595 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000794808752 1137259502 /nfs/dbraw/zinc/25/95/02/1137259502.db2.gz BXGGUGSINPFQCC-WMZOPIPTSA-N 0 3 330.472 3.532 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(C)cc1[O-] ZINC000794812726 1137262613 /nfs/dbraw/zinc/26/26/13/1137262613.db2.gz YXLVTYUBQHZFTL-DLBZAZTESA-N 0 3 342.414 3.686 20 10 EHCDHN CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794816923 1137265550 /nfs/dbraw/zinc/26/55/50/1137265550.db2.gz RUZVGSYYMJBKSA-MAUKXSAKSA-N 0 3 348.487 3.998 20 10 EHCDHN CCOc1ccc(CNCc2ccc(OC(F)F)cc2F)c(O)c1 ZINC000865786851 1137312051 /nfs/dbraw/zinc/31/20/51/1137312051.db2.gz IFNPYNPYIYRTBL-UHFFFAOYSA-N 0 3 341.329 3.821 20 10 EHCDHN COc1cc(CN[C@H]2CCCn3nccc32)c(O)c(C(C)(C)C)c1 ZINC000865871034 1137317981 /nfs/dbraw/zinc/31/79/81/1137317981.db2.gz BSFRPYSTGWEQCA-INIZCTEOSA-N 0 3 329.444 3.520 20 10 EHCDHN CCn1cc(CN(C/C=C/c2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000846055122 1137331443 /nfs/dbraw/zinc/33/14/43/1137331443.db2.gz JCDLHIKXCKDJFF-BQYQJAHWSA-N 0 3 326.488 3.893 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)c1[O-] ZINC000866615021 1137369718 /nfs/dbraw/zinc/36/97/18/1137369718.db2.gz SCIGUJYRBOLCLI-QWRGUYRKSA-N 0 3 338.249 3.608 20 10 EHCDHN COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825843406 1137642247 /nfs/dbraw/zinc/64/22/47/1137642247.db2.gz YHMJHOZAMYOGAH-SFHVURJKSA-N 0 3 348.874 3.755 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CC1(F)F ZINC000877033657 1137668233 /nfs/dbraw/zinc/66/82/33/1137668233.db2.gz JOKFANMCCSEXSO-GLQYFDAESA-N 0 3 344.833 3.643 20 10 EHCDHN CCN(CC)C(=O)CCC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000877193391 1137672611 /nfs/dbraw/zinc/67/26/11/1137672611.db2.gz CCYJQZIENSIDTM-UHFFFAOYSA-N 0 3 332.488 3.561 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c([O-])c1 ZINC000877583670 1137682073 /nfs/dbraw/zinc/68/20/73/1137682073.db2.gz LFAVMLJNHBYADT-MRXNPFEDSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c([O-])c1 ZINC000877583670 1137682074 /nfs/dbraw/zinc/68/20/74/1137682074.db2.gz LFAVMLJNHBYADT-MRXNPFEDSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1ccccc1C1(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877604162 1137682614 /nfs/dbraw/zinc/68/26/14/1137682614.db2.gz IVKZCTILDZIWRI-UHFFFAOYSA-N 0 3 336.479 3.735 20 10 EHCDHN COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648416 1137753584 /nfs/dbraw/zinc/75/35/84/1137753584.db2.gz OACXAUWJYQZCMT-GFCCVEGCSA-N 0 3 348.830 3.652 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000879649479 1137753719 /nfs/dbraw/zinc/75/37/19/1137753719.db2.gz UKJCSCRDUMSSJY-IUODEOHRSA-N 0 3 339.357 3.665 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccc(C)cc1[O-] ZINC000886769539 1138136665 /nfs/dbraw/zinc/13/66/65/1138136665.db2.gz WUIJUQMAVOPBPG-QPZGHMISSA-N 0 3 333.472 3.714 20 10 EHCDHN COc1cccc(CN2CCC(Oc3ccc(F)cc3F)CC2)c1O ZINC000092093207 1138225031 /nfs/dbraw/zinc/22/50/31/1138225031.db2.gz TYXRIELVHNLMJP-UHFFFAOYSA-N 0 3 349.377 3.722 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(OC)c(OC)c1OC ZINC000092704974 1138230623 /nfs/dbraw/zinc/23/06/23/1138230623.db2.gz SNTPYAHUVDEXGP-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(OC)c(OC)c1OC ZINC000092704974 1138230626 /nfs/dbraw/zinc/23/06/26/1138230626.db2.gz SNTPYAHUVDEXGP-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN CCOc1cccc(CN2CCC[C@H]2c2ccc(COC)o2)c1O ZINC000137074453 1138831526 /nfs/dbraw/zinc/83/15/26/1138831526.db2.gz OCVNPCOSNMGAIW-INIZCTEOSA-N 0 3 331.412 3.867 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+](C)CCc2nccs2)c1[O-] ZINC000180632339 1139851512 /nfs/dbraw/zinc/85/15/12/1139851512.db2.gz KONSWJQPBIDSJI-UHFFFAOYSA-N 0 3 341.274 3.594 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCc2nccs2)c1[O-] ZINC000180632339 1139851518 /nfs/dbraw/zinc/85/15/18/1139851518.db2.gz KONSWJQPBIDSJI-UHFFFAOYSA-N 0 3 341.274 3.594 20 10 EHCDHN CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183402560 1140034951 /nfs/dbraw/zinc/03/49/51/1140034951.db2.gz DNIBBMRSNDUEDP-OAHLLOKOSA-N 0 3 326.440 3.725 20 10 EHCDHN CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183456469 1140039550 /nfs/dbraw/zinc/03/95/50/1140039550.db2.gz XQMPLMMUYAUFJP-OAHLLOKOSA-N 0 3 326.440 3.773 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2ccc(C)cc2O)c(OC)c1OC ZINC000185067301 1140134489 /nfs/dbraw/zinc/13/44/89/1140134489.db2.gz LYBNNTOSJQJNFY-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000185470603 1140151224 /nfs/dbraw/zinc/15/12/24/1140151224.db2.gz QBVVVWJWIWRLLG-FOIQADDNSA-N 0 3 329.440 3.872 20 10 EHCDHN CC(C)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185881059 1140175169 /nfs/dbraw/zinc/17/51/69/1140175169.db2.gz KKWKEJCXJDIUGI-GFCCVEGCSA-N 0 3 341.293 3.678 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000189079254 1140320042 /nfs/dbraw/zinc/32/00/42/1140320042.db2.gz GQNKNLNULWGQTB-OALUTQOASA-N 0 3 338.451 3.542 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000190303734 1140398264 /nfs/dbraw/zinc/39/82/64/1140398264.db2.gz TYIWBQXOJQAQPI-FXAWDEMLSA-N 0 3 341.451 3.612 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccsc1 ZINC000268869690 1141013151 /nfs/dbraw/zinc/01/31/51/1141013151.db2.gz UUTHWELILJTBNL-CYBMUJFWSA-N 0 3 334.460 3.699 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccsc1 ZINC000268869692 1141014298 /nfs/dbraw/zinc/01/42/98/1141014298.db2.gz UUTHWELILJTBNL-ZDUSSCGKSA-N 0 3 334.460 3.699 20 10 EHCDHN CCCN(Cc1c(C)nc2sc(C)nn12)Cc1ccccc1O ZINC000271196830 1141323373 /nfs/dbraw/zinc/32/33/73/1141323373.db2.gz OOXKVFVHXREPKT-UHFFFAOYSA-N 0 3 330.457 3.525 20 10 EHCDHN COc1cccc(CNCc2c(C)nc3scc(C4CC4)n23)c1O ZINC000298108386 526024416 /nfs/dbraw/zinc/02/44/16/526024416.db2.gz OASZGBQEPXBKRO-UHFFFAOYSA-N 0 3 343.452 3.586 20 10 EHCDHN COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000154153040 1015081860 /nfs/dbraw/zinc/08/18/60/1015081860.db2.gz SRRXKGIMIWHLTF-JKSUJKDBSA-N 0 3 326.440 3.578 20 10 EHCDHN COc1cc(Br)cc(CN(C)Cc2ccsc2)c1O ZINC000120455149 1015209655 /nfs/dbraw/zinc/20/96/55/1015209655.db2.gz GNMRINKLWBSIOD-UHFFFAOYSA-N 0 3 342.258 3.857 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1ccccc1[O-] ZINC000154914695 1015936509 /nfs/dbraw/zinc/93/65/09/1015936509.db2.gz MOYMJYIZYBOGCY-HNNXBMFYSA-N 0 3 331.412 3.659 20 10 EHCDHN Cc1ccncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000377073107 1017303299 /nfs/dbraw/zinc/30/32/99/1017303299.db2.gz MPDDHTPKPZYVMV-GOSISDBHSA-N 0 3 345.874 3.503 20 10 EHCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000163803747 1018467249 /nfs/dbraw/zinc/46/72/49/1018467249.db2.gz KICHGEYELXLDML-KXBFYZLASA-N 0 3 343.446 3.859 20 10 EHCDHN CC(C)c1ccoc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247827 1019094328 /nfs/dbraw/zinc/09/43/28/1019094328.db2.gz KQGJIHVHDHAJLJ-GOSISDBHSA-N 0 3 343.471 3.502 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000134321516 1020026855 /nfs/dbraw/zinc/02/68/55/1020026855.db2.gz BIEKIZHJOGBGDO-SFHVURJKSA-N 0 3 345.874 3.503 20 10 EHCDHN CC[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(C)cc1[O-] ZINC000280103970 1020085686 /nfs/dbraw/zinc/08/56/86/1020085686.db2.gz NHILQXZPHVCHBA-LJQANCHMSA-N 0 3 340.467 3.686 20 10 EHCDHN COC1CCN(c2ccc(C[N@H+](C)Cc3ccccc3[O-])cc2)CC1 ZINC000294975211 1023140335 /nfs/dbraw/zinc/14/03/35/1023140335.db2.gz OVFTZPHMKBQIEK-UHFFFAOYSA-N 0 3 340.467 3.639 20 10 EHCDHN COC1CCN(c2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc2)CC1 ZINC000294975211 1023140342 /nfs/dbraw/zinc/14/03/42/1023140342.db2.gz OVFTZPHMKBQIEK-UHFFFAOYSA-N 0 3 340.467 3.639 20 10 EHCDHN COc1cc(C)cc(CNCc2cc(F)ccc2OC(F)F)c1O ZINC000895334162 1024310765 /nfs/dbraw/zinc/31/07/65/1024310765.db2.gz JYUIVUVZRUWXAO-UHFFFAOYSA-N 0 3 341.329 3.740 20 10 EHCDHN CC(C)N(CC[S@@](=O)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000729542779 1024606559 /nfs/dbraw/zinc/60/65/59/1024606559.db2.gz UAXVGVKTDRNCJN-XMMPIXPASA-N 0 3 344.524 3.771 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000157951516 1025234137 /nfs/dbraw/zinc/23/41/37/1025234137.db2.gz GJDDHWGHPICQGJ-QGZVFWFLSA-N 0 3 326.396 3.590 20 10 EHCDHN CCOc1cccc(CNCc2ccccc2Br)c1O ZINC000048819581 1026274928 /nfs/dbraw/zinc/27/49/28/1026274928.db2.gz ZJBJCPZSJXIUIH-UHFFFAOYSA-N 0 3 336.229 3.843 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000192936502 1026649272 /nfs/dbraw/zinc/64/92/72/1026649272.db2.gz GYEMACGFMXHBFZ-HNNXBMFYSA-N 0 3 331.412 3.659 20 10 EHCDHN C[C@H]1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273124695 1027278425 /nfs/dbraw/zinc/27/84/25/1027278425.db2.gz AIMLESYFNDUOBT-FUHWJXTLSA-N 0 3 341.451 3.876 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528002645 1031565718 /nfs/dbraw/zinc/56/57/18/1031565718.db2.gz ZFRRSDPHSWCBJY-BZNIZROVSA-N 0 3 330.815 3.568 20 10 EHCDHN O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2ccccc2O)CC1 ZINC000179575857 1031787171 /nfs/dbraw/zinc/78/71/71/1031787171.db2.gz OVZMOUSCXLOMPI-UHFFFAOYSA-N 0 3 349.352 3.904 20 10 EHCDHN COc1cc(O)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1OC ZINC000179434425 1034304446 /nfs/dbraw/zinc/30/44/46/1034304446.db2.gz AGZIBUGDQWRYTJ-UHFFFAOYSA-N 0 3 343.398 3.838 20 10 EHCDHN COc1cc(Cl)cc(CNC2(c3ccc4c(c3)OCO4)CC2)c1O ZINC000761215292 1034582822 /nfs/dbraw/zinc/58/28/22/1034582822.db2.gz JFWYGPLWJMKNGV-UHFFFAOYSA-N 0 3 347.798 3.562 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000761215292 1034582834 /nfs/dbraw/zinc/58/28/34/1034582834.db2.gz JFWYGPLWJMKNGV-UHFFFAOYSA-N 0 3 347.798 3.562 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cc(F)ccc1[O-] ZINC000185719288 1035522556 /nfs/dbraw/zinc/52/25/56/1035522556.db2.gz RGVIDPQSGZYQLM-WCQYABFASA-N 0 3 335.810 3.509 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c([O-])c1 ZINC000186152747 1035591216 /nfs/dbraw/zinc/59/12/16/1035591216.db2.gz AJXJISLOZXWEDY-IRXDYDNUSA-N 0 3 339.483 3.972 20 10 EHCDHN C[C@@H]1C[C@@H](NCc2nn(C)c3ccccc23)c2c1c(F)ccc2O ZINC000760898205 1037690401 /nfs/dbraw/zinc/69/04/01/1037690401.db2.gz PCTYLLLMXDSERS-BXUZGUMPSA-N 0 3 325.387 3.756 20 10 EHCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@H](C)Cc1ccsc1 ZINC000893719239 1039317337 /nfs/dbraw/zinc/31/73/37/1039317337.db2.gz JUIVMXSXFHIDKH-CYBMUJFWSA-N 0 3 335.469 3.924 20 10 EHCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@H](C)Cc1ccsc1 ZINC000893719239 1039317359 /nfs/dbraw/zinc/31/73/59/1039317359.db2.gz JUIVMXSXFHIDKH-CYBMUJFWSA-N 0 3 335.469 3.924 20 10 EHCDHN C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000187742337 1039719179 /nfs/dbraw/zinc/71/91/79/1039719179.db2.gz GXNIKUYIAXMFLG-AWEZNQCLSA-N 0 3 332.444 3.610 20 10 EHCDHN COc1ccc(N2CCC(N[C@@H](C)c3nc(C)cs3)CC2)cc1 ZINC000162352211 1042721693 /nfs/dbraw/zinc/72/16/93/1042721693.db2.gz JEQCXYTZTIUKRT-AWEZNQCLSA-N 0 3 331.485 3.780 20 10 EHCDHN COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCCC2)cc1 ZINC000183382867 1125543466 /nfs/dbraw/zinc/54/34/66/1125543466.db2.gz NPDYYVXUJNYOFA-OXJNMPFZSA-N 0 3 340.467 3.889 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1[O-] ZINC000185062706 1126747723 /nfs/dbraw/zinc/74/77/23/1126747723.db2.gz UXTUMPJZLIOHDQ-AWEZNQCLSA-N 0 3 346.471 3.935 20 10 EHCDHN COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185391158 1126883959 /nfs/dbraw/zinc/88/39/59/1126883959.db2.gz HPSSGFHORYARAM-CHWSQXEVSA-N 0 3 333.403 3.830 20 10 EHCDHN CCN(CC)C(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765333431 1127599729 /nfs/dbraw/zinc/59/97/29/1127599729.db2.gz LRYQNWBDLLEYJM-KRWDZBQOSA-N 0 3 331.504 3.586 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000186184205 1128067579 /nfs/dbraw/zinc/06/75/79/1128067579.db2.gz URQARSQYXOFNFH-CHWSQXEVSA-N 0 3 326.375 3.524 20 10 EHCDHN CCN1CCN(c2ccccc2N[C@H](C)c2ccc(F)cc2O)CC1 ZINC000186361440 1128403468 /nfs/dbraw/zinc/40/34/68/1128403468.db2.gz STIFQUFRCMXHCH-OAHLLOKOSA-N 0 3 343.446 3.846 20 10 EHCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762646719 1121396642 /nfs/dbraw/zinc/39/66/42/1121396642.db2.gz BHFWFJPHAQUYIR-WMLDXEAASA-N 0 3 340.895 3.587 20 10 EHCDHN CCN(CC)c1ccc(CN(C)C[C@H](O)c2c(F)cccc2F)cc1 ZINC000917019965 1122441247 /nfs/dbraw/zinc/44/12/47/1122441247.db2.gz NNZHQTULYFZRIT-IBGZPJMESA-N 0 3 348.437 3.976 20 10 EHCDHN COC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183066617 1125434846 /nfs/dbraw/zinc/43/48/46/1125434846.db2.gz VXIXKMDWFZEVAM-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN COC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183066617 1125434847 /nfs/dbraw/zinc/43/48/47/1125434847.db2.gz VXIXKMDWFZEVAM-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1)C1CCCC1 ZINC000732204316 1130900062 /nfs/dbraw/zinc/90/00/62/1130900062.db2.gz IMSBCSRZVVOCJZ-IBGZPJMESA-N 0 3 341.451 3.577 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COc1ccccc1)C1CCCC1 ZINC000732204316 1130900067 /nfs/dbraw/zinc/90/00/67/1130900067.db2.gz IMSBCSRZVVOCJZ-IBGZPJMESA-N 0 3 341.451 3.577 20 10 EHCDHN CCc1cccc(NC(=O)CNCc2ccc(N(CC)CC)cc2)c1 ZINC000732231531 1130903378 /nfs/dbraw/zinc/90/33/78/1130903378.db2.gz QSJXHCCFNUWGFV-UHFFFAOYSA-N 0 3 339.483 3.824 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740858961 1131549329 /nfs/dbraw/zinc/54/93/29/1131549329.db2.gz MSPAYDAZIQZBCS-SXLOBPIMSA-N 0 3 329.484 3.906 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740858961 1131549333 /nfs/dbraw/zinc/54/93/33/1131549333.db2.gz MSPAYDAZIQZBCS-SXLOBPIMSA-N 0 3 329.484 3.906 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1[O-] ZINC001172901214 1131884389 /nfs/dbraw/zinc/88/43/89/1131884389.db2.gz LEYXYPOLJIRRFQ-BBRMVZONSA-N 0 3 326.396 3.899 20 10 EHCDHN C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cc3c(cc2O)OCO3)C1 ZINC000743371535 1131904106 /nfs/dbraw/zinc/90/41/06/1131904106.db2.gz CFOUTSMUTKPMNT-MLGOLLRUSA-N 0 3 329.371 3.843 20 10 EHCDHN Oc1ccccc1CNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000743499323 1131930152 /nfs/dbraw/zinc/93/01/52/1131930152.db2.gz YRUZBDMHBOBUGL-QGZVFWFLSA-N 0 3 347.842 3.893 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1F ZINC001173189302 1131994723 /nfs/dbraw/zinc/99/47/23/1131994723.db2.gz OIDJAPCISPJKEW-NEPJUHHUSA-N 0 3 348.374 3.730 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000743870534 1131995436 /nfs/dbraw/zinc/99/54/36/1131995436.db2.gz WMGCTKVVTKUAFP-YESZJQIVSA-N 0 3 332.488 3.782 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000743870534 1131995443 /nfs/dbraw/zinc/99/54/43/1131995443.db2.gz WMGCTKVVTKUAFP-YESZJQIVSA-N 0 3 332.488 3.782 20 10 EHCDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N(C)C)cc1C ZINC001177804130 1133104615 /nfs/dbraw/zinc/10/46/15/1133104615.db2.gz LNZAXROXSBQQSX-UHFFFAOYSA-N 0 3 327.428 3.876 20 10 EHCDHN COc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1O ZINC000768258669 1133118453 /nfs/dbraw/zinc/11/84/53/1133118453.db2.gz VGYOSEBPTUBKIF-UHFFFAOYSA-N 0 3 326.440 3.631 20 10 EHCDHN CCOc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(O)c1 ZINC000768336029 1133126663 /nfs/dbraw/zinc/12/66/63/1133126663.db2.gz GEQJIALHTMOFSM-UHFFFAOYSA-N 0 3 342.395 3.864 20 10 EHCDHN CC(C)(C)[C@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccc(F)cc1 ZINC000768444488 1133140248 /nfs/dbraw/zinc/14/02/48/1133140248.db2.gz YKRHCAIELKLWJH-PKOBYXMFSA-N 0 3 345.414 3.834 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccccc3)CC1)[C@H](O)CO2 ZINC000768453569 1133141453 /nfs/dbraw/zinc/14/14/53/1133141453.db2.gz YXQMSZJPGFZUCV-OXJNMPFZSA-N 0 3 339.435 3.588 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3ccccc3)CC1)[C@H](O)CO2 ZINC000768453569 1133141457 /nfs/dbraw/zinc/14/14/57/1133141457.db2.gz YXQMSZJPGFZUCV-OXJNMPFZSA-N 0 3 339.435 3.588 20 10 EHCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1c1cccc(F)c1 ZINC000768466441 1133145553 /nfs/dbraw/zinc/14/55/53/1133145553.db2.gz QHRUOYPULAPVCJ-ZQBYOIRZSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1c1cccc(F)c1 ZINC000768466441 1133145557 /nfs/dbraw/zinc/14/55/57/1133145557.db2.gz QHRUOYPULAPVCJ-ZQBYOIRZSA-N 0 3 343.398 3.540 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1[O-] ZINC000768524204 1133149534 /nfs/dbraw/zinc/14/95/34/1133149534.db2.gz METAHEFARHTPMU-CABCVRRESA-N 0 3 327.852 3.736 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)OC)cc1 ZINC000773775706 1133204169 /nfs/dbraw/zinc/20/41/69/1133204169.db2.gz KOMFAHDGDJOYKW-OXJNMPFZSA-N 0 3 340.467 3.783 20 10 EHCDHN CN(C)c1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1F ZINC000769314055 1133259284 /nfs/dbraw/zinc/25/92/84/1133259284.db2.gz CGDDDUNKERKRIP-HXUWFJFHSA-N 0 3 328.431 3.855 20 10 EHCDHN COc1cccc(O)c1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000769475035 1133299491 /nfs/dbraw/zinc/29/94/91/1133299491.db2.gz UDWDUILARKWSBY-HNNXBMFYSA-N 0 3 343.398 3.635 20 10 EHCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCCCN1C ZINC001179965653 1133314459 /nfs/dbraw/zinc/31/44/59/1133314459.db2.gz YEJMTZGQCZZDEY-GOSISDBHSA-N 0 3 339.483 3.617 20 10 EHCDHN CCN(CC)c1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1F ZINC000770328867 1133411915 /nfs/dbraw/zinc/41/19/15/1133411915.db2.gz XODIWMHFTUTOMV-OXJNMPFZSA-N 0 3 344.478 3.952 20 10 EHCDHN CN(Cc1cccs1)c1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC001180819318 1133418897 /nfs/dbraw/zinc/41/88/97/1133418897.db2.gz IJZHOTCFHGBPEK-UHFFFAOYSA-N 0 3 342.508 3.997 20 10 EHCDHN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484945 1133688144 /nfs/dbraw/zinc/68/81/44/1133688144.db2.gz UBAWUHVPENQVAQ-JKSUJKDBSA-N 0 3 325.456 3.739 20 10 EHCDHN Cc1ccc(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001182644514 1133715493 /nfs/dbraw/zinc/71/54/93/1133715493.db2.gz IOVLRTIRRLYRDH-UHFFFAOYSA-N 0 3 348.487 3.827 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccccc1[O-] ZINC001183354405 1133792931 /nfs/dbraw/zinc/79/29/31/1133792931.db2.gz ATXFRJUCLSEGLU-WQVCFCJDSA-N 0 3 334.460 3.735 20 10 EHCDHN Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000786580442 1133869789 /nfs/dbraw/zinc/86/97/89/1133869789.db2.gz AMPCDWCZOYEPPD-YSVLISHTSA-N 0 3 329.415 3.581 20 10 EHCDHN COC(=O)[C@](C)(C[NH2+]Cc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000787423439 1134001021 /nfs/dbraw/zinc/00/10/21/1134001021.db2.gz NBDAWOMFDKQRAL-LJQANCHMSA-N 0 3 347.842 3.575 20 10 EHCDHN CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000787506698 1134010385 /nfs/dbraw/zinc/01/03/85/1134010385.db2.gz JGZZYGODZRBKGY-UHFFFAOYSA-N 0 3 328.412 3.500 20 10 EHCDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1C ZINC000774820416 1134031237 /nfs/dbraw/zinc/03/12/37/1134031237.db2.gz KDHWGSYPDZNPMR-IBGZPJMESA-N 0 3 341.451 3.890 20 10 EHCDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1C ZINC000774820416 1134031243 /nfs/dbraw/zinc/03/12/43/1134031243.db2.gz KDHWGSYPDZNPMR-IBGZPJMESA-N 0 3 341.451 3.890 20 10 EHCDHN CN(C)c1ccc(CN(Cc2ccc(-c3cc[nH]n3)o2)C2CC2)cc1 ZINC000789720716 1134325971 /nfs/dbraw/zinc/32/59/71/1134325971.db2.gz KVHLRBOWPCZKNE-UHFFFAOYSA-N 0 3 336.439 3.900 20 10 EHCDHN C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1ccccc1[O-] ZINC000775128396 1134347127 /nfs/dbraw/zinc/34/71/27/1134347127.db2.gz ATSWZIVWQRSCHO-GFCCVEGCSA-N 0 3 336.229 3.884 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000790638037 1134444831 /nfs/dbraw/zinc/44/48/31/1134444831.db2.gz QFDJDJAVYVEHNN-UHFFFAOYSA-N 0 3 333.435 3.882 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000775371737 1134675514 /nfs/dbraw/zinc/67/55/14/1134675514.db2.gz QCMLWYKYSJMDTM-JTQLQIEISA-N 0 3 336.775 3.813 20 10 EHCDHN Cc1ccccc1-n1nccc1CNCc1ccc2c(c1)CCCN2C ZINC000792940522 1134820976 /nfs/dbraw/zinc/82/09/76/1134820976.db2.gz BUJVDVLWXJSPRD-UHFFFAOYSA-N 0 3 346.478 3.853 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1ccnn1-c1ccc(F)cc1 ZINC000792977017 1134831290 /nfs/dbraw/zinc/83/12/90/1134831290.db2.gz HSNQNNNFMGHZLA-UHFFFAOYSA-N 0 3 338.430 3.676 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001191277529 1134838853 /nfs/dbraw/zinc/83/88/53/1134838853.db2.gz LHCBYRJHBYMUQN-SFHVURJKSA-N 0 3 346.471 3.758 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001191277529 1134838858 /nfs/dbraw/zinc/83/88/58/1134838858.db2.gz LHCBYRJHBYMUQN-SFHVURJKSA-N 0 3 346.471 3.758 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001191278333 1134839805 /nfs/dbraw/zinc/83/98/05/1134839805.db2.gz RAKWWHHCOXNWGS-GOSISDBHSA-N 0 3 342.414 3.549 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001191278333 1134839809 /nfs/dbraw/zinc/83/98/09/1134839809.db2.gz RAKWWHHCOXNWGS-GOSISDBHSA-N 0 3 342.414 3.549 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001191278333 1134839813 /nfs/dbraw/zinc/83/98/13/1134839813.db2.gz RAKWWHHCOXNWGS-GOSISDBHSA-N 0 3 342.414 3.549 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2)c([O-])c1 ZINC000793391391 1134922700 /nfs/dbraw/zinc/92/27/00/1134922700.db2.gz XHRCNCOGPGSIJG-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775498757 1134964618 /nfs/dbraw/zinc/96/46/18/1134964618.db2.gz NPJSKZHYHZFVSV-DNVCBOLYSA-N 0 3 326.440 3.720 20 10 EHCDHN CC[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000775526694 1135012347 /nfs/dbraw/zinc/01/23/47/1135012347.db2.gz TXMFSIVCTVVBPW-ZDUSSCGKSA-N 0 3 340.345 3.926 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000808453277 1135670078 /nfs/dbraw/zinc/67/00/78/1135670078.db2.gz CXNXLIWPHDFWKA-DENIHFKCSA-N 0 3 347.414 3.643 20 10 EHCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808694217 1135710495 /nfs/dbraw/zinc/71/04/95/1135710495.db2.gz AVYOWRNDGABQEM-PXAZEXFGSA-N 0 3 335.831 3.747 20 10 EHCDHN COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808679670 1135715830 /nfs/dbraw/zinc/71/58/30/1135715830.db2.gz WRVCGESYWYYJTG-MLGOLLRUSA-N 0 3 335.831 3.747 20 10 EHCDHN CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000808717956 1135720529 /nfs/dbraw/zinc/72/05/29/1135720529.db2.gz IWRXUDOGUZCKFI-GUYCJALGSA-N 0 3 346.858 3.882 20 10 EHCDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775836661 1135796114 /nfs/dbraw/zinc/79/61/14/1135796114.db2.gz OZIKDYBQQOWLOF-CYBMUJFWSA-N 0 3 330.403 3.529 20 10 EHCDHN C[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775834545 1135798611 /nfs/dbraw/zinc/79/86/11/1135798611.db2.gz UXHGYQNZTXYTIN-ZDUSSCGKSA-N 0 3 331.847 3.695 20 10 EHCDHN CCC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCOCC1 ZINC000776219863 1136071814 /nfs/dbraw/zinc/07/18/14/1136071814.db2.gz JABKLFJIDUPLMT-UHFFFAOYSA-N 0 3 342.277 3.760 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000811780743 1136134987 /nfs/dbraw/zinc/13/49/87/1136134987.db2.gz WLRVBYALYHPSLE-SJLPKXTDSA-N 0 3 333.472 3.785 20 10 EHCDHN COc1ccc(N2CC[C@@H](NCc3cnc(C4CCC4)s3)C2)cc1 ZINC000850347369 1136239003 /nfs/dbraw/zinc/23/90/03/1136239003.db2.gz RDOUXTKPSMNQJJ-OAHLLOKOSA-N 0 3 343.496 3.788 20 10 EHCDHN CN(C)c1ccc(/C=C/CNCc2cccnc2N2CCCC2)cc1 ZINC000850353077 1136239579 /nfs/dbraw/zinc/23/95/79/1136239579.db2.gz RTVLGJKPHXKJAS-FNORWQNLSA-N 0 3 336.483 3.551 20 10 EHCDHN COCCOCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000812736547 1136239747 /nfs/dbraw/zinc/23/97/47/1136239747.db2.gz CKHYFBKJUXSELI-INIZCTEOSA-N 0 3 329.440 3.714 20 10 EHCDHN OC1CCN(c2ccc(CNCc3cc4ccccc4o3)cc2)CC1 ZINC000850406153 1136250986 /nfs/dbraw/zinc/25/09/86/1136250986.db2.gz UQADGUPWVZSGIB-UHFFFAOYSA-N 0 3 336.435 3.684 20 10 EHCDHN OC1CCN(c2ccc(CNCc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000850406687 1136251145 /nfs/dbraw/zinc/25/11/45/1136251145.db2.gz QAJKDWIEABSVGR-UHFFFAOYSA-N 0 3 348.849 3.730 20 10 EHCDHN COc1ccccc1-c1cc(CNCc2cc(C)c(C)cc2O)on1 ZINC000850420922 1136255065 /nfs/dbraw/zinc/25/50/65/1136255065.db2.gz UKIFVKYYZUUANP-UHFFFAOYSA-N 0 3 338.407 3.962 20 10 EHCDHN COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000850487708 1136269313 /nfs/dbraw/zinc/26/93/13/1136269313.db2.gz JBCWFTZQOQPVNS-CVEARBPZSA-N 0 3 326.440 3.639 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@@H]1CCc3cc(F)cc(F)c3C1)CCC2 ZINC001170707286 1136336869 /nfs/dbraw/zinc/33/68/69/1136336869.db2.gz TTYYWCOYVDZHFK-MRXNPFEDSA-N 0 3 345.389 3.682 20 10 EHCDHN COCC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000813883995 1136372455 /nfs/dbraw/zinc/37/24/55/1136372455.db2.gz ZBPWPSXWGZHZMV-LLVKDONJSA-N 0 3 330.266 3.786 20 10 EHCDHN NC(=O)C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000815154281 1136558643 /nfs/dbraw/zinc/55/86/43/1136558643.db2.gz LRYCWQNAPVHTMQ-HXUWFJFHSA-N 0 3 346.430 3.766 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586232 1136615036 /nfs/dbraw/zinc/61/50/36/1136615036.db2.gz BXUFGTFWULWTSB-XQQFMLRXSA-N 0 3 330.394 3.934 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586233 1136615212 /nfs/dbraw/zinc/61/52/12/1136615212.db2.gz BXUFGTFWULWTSB-YNEHKIRRSA-N 0 3 330.394 3.934 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000815588409 1136615228 /nfs/dbraw/zinc/61/52/28/1136615228.db2.gz NMHDBORATKKCTD-UYAOXDASSA-N 0 3 347.462 3.936 20 10 EHCDHN C[C@H](CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])[S@@](C)=O ZINC000815596789 1136616882 /nfs/dbraw/zinc/61/68/82/1136616882.db2.gz DUYULZCIKQDMNG-SWWFSWNPSA-N 0 3 345.508 3.813 20 10 EHCDHN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816660564 1136745901 /nfs/dbraw/zinc/74/59/01/1136745901.db2.gz ISXROSPCYRFFNB-IERDGZPVSA-N 0 3 341.451 3.612 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000776866796 1136749489 /nfs/dbraw/zinc/74/94/89/1136749489.db2.gz ZGBOPZNYCIMPHB-XHSDSOJGSA-N 0 3 334.460 3.608 20 10 EHCDHN COc1ccc(N2CC[C@H](CNCc3c(F)cccc3F)C2)cc1 ZINC000818220388 1136867781 /nfs/dbraw/zinc/86/77/81/1136867781.db2.gz JSSCOGTWRAVGBR-CQSZACIVSA-N 0 3 332.394 3.590 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000818342346 1136872811 /nfs/dbraw/zinc/87/28/11/1136872811.db2.gz PMDKDKLCWCAVDN-OXJNMPFZSA-N 0 3 340.467 3.968 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3cccnc3Cl)C2)cc1 ZINC000818344054 1136873303 /nfs/dbraw/zinc/87/33/03/1136873303.db2.gz IJVRQZIIRMOQLV-CABCVRRESA-N 0 3 345.874 3.921 20 10 EHCDHN Cc1ccc(O[C@H]2CCN(C/C=C\c3ccc(N(C)C)cc3)C2)nc1 ZINC000858013389 1136930723 /nfs/dbraw/zinc/93/07/23/1136930723.db2.gz ICNDTNUMRBIZOI-FBQMEGEOSA-N 0 3 337.467 3.623 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2c1c(F)ccc2[O-] ZINC000858453188 1136969442 /nfs/dbraw/zinc/96/94/42/1136969442.db2.gz KKMJGEITMFJLKW-PVUWLOKVSA-N 0 3 327.399 3.811 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000862485145 1137146514 /nfs/dbraw/zinc/14/65/14/1137146514.db2.gz HXGADADCMIDJSX-RHSMWYFYSA-N 0 3 349.471 3.591 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000862485145 1137146515 /nfs/dbraw/zinc/14/65/15/1137146515.db2.gz HXGADADCMIDJSX-RHSMWYFYSA-N 0 3 349.471 3.591 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824821297 1137153740 /nfs/dbraw/zinc/15/37/40/1137153740.db2.gz XWDHQZHVWVDOCE-OAHLLOKOSA-N 0 3 342.395 3.689 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824821297 1137153742 /nfs/dbraw/zinc/15/37/42/1137153742.db2.gz XWDHQZHVWVDOCE-OAHLLOKOSA-N 0 3 342.395 3.689 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1[O-] ZINC000824926707 1137157893 /nfs/dbraw/zinc/15/78/93/1137157893.db2.gz QKXRZKVADRJKTQ-QGZVFWFLSA-N 0 3 346.858 3.663 20 10 EHCDHN CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(C)cc1[O-] ZINC000794795447 1137253503 /nfs/dbraw/zinc/25/35/03/1137253503.db2.gz POXAGQQLLIPZNU-QGZVFWFLSA-N 0 3 327.424 3.755 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794817067 1137264947 /nfs/dbraw/zinc/26/49/47/1137264947.db2.gz ORELHAGFGDMONT-ZWKOTPCHSA-N 0 3 330.472 3.675 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000845992735 1137323626 /nfs/dbraw/zinc/32/36/26/1137323626.db2.gz OROFNDCNDFZQHR-KDOFPFPSSA-N 0 3 347.480 3.640 20 10 EHCDHN C[C@@H](COCC1CC1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846072828 1137331380 /nfs/dbraw/zinc/33/13/80/1137331380.db2.gz IKKHWAZRTWIYOB-INIZCTEOSA-N 0 3 341.451 3.876 20 10 EHCDHN COc1ccc(OC)c([C@H](C)N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846138530 1137338382 /nfs/dbraw/zinc/33/83/82/1137338382.db2.gz VXESTNDCKQOJSR-STQMWFEESA-N 0 3 331.412 3.830 20 10 EHCDHN CCCCOc1ncccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846147652 1137339367 /nfs/dbraw/zinc/33/93/67/1137339367.db2.gz WZIPTPDPCGJWNU-AWEZNQCLSA-N 0 3 330.428 3.826 20 10 EHCDHN COc1cccc2c1OCCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000866252591 1137339754 /nfs/dbraw/zinc/33/97/54/1137339754.db2.gz LMYNLMGNFWOTOC-QGZVFWFLSA-N 0 3 325.408 3.634 20 10 EHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@](C)(O)c1ccccc1 ZINC000846186990 1137340412 /nfs/dbraw/zinc/34/04/12/1137340412.db2.gz IRWLQANLQIVHEQ-MEGQDDJESA-N 0 3 329.415 3.965 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC(F)F)cc2F)c1 ZINC000866541443 1137363248 /nfs/dbraw/zinc/36/32/48/1137363248.db2.gz LYORTQBZGRHGQP-JTQLQIEISA-N 0 3 341.329 3.992 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC001171871293 1137514917 /nfs/dbraw/zinc/51/49/17/1137514917.db2.gz KMJGTHCIIGADMW-SJLPKXTDSA-N 0 3 338.451 3.738 20 10 EHCDHN CCOc1ccc(N2CCN([C@H](C)CCO[C@H](C)CC)CC2)cc1 ZINC001172348809 1137553482 /nfs/dbraw/zinc/55/34/82/1137553482.db2.gz ROBRZPFTRHKSFW-QZTJIDSGSA-N 0 3 334.504 3.801 20 10 EHCDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(O)c1 ZINC000876532110 1137654747 /nfs/dbraw/zinc/65/47/47/1137654747.db2.gz YCTCTKINNMLCPI-SFHVURJKSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(O)c1 ZINC000876532110 1137654748 /nfs/dbraw/zinc/65/47/48/1137654748.db2.gz YCTCTKINNMLCPI-SFHVURJKSA-N 0 3 327.424 3.587 20 10 EHCDHN Cn1ncc2cc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cnc21 ZINC000876722611 1137659779 /nfs/dbraw/zinc/65/97/79/1137659779.db2.gz ZYMPXGRIOCIDPL-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN Cn1ncc2cc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cnc21 ZINC000876722611 1137659780 /nfs/dbraw/zinc/65/97/80/1137659780.db2.gz ZYMPXGRIOCIDPL-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000877054363 1137668894 /nfs/dbraw/zinc/66/88/94/1137668894.db2.gz HMZYCDQOXCSCOC-BEFAXECRSA-N 0 3 330.497 3.935 20 10 EHCDHN Cc1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)c([O-])c1 ZINC000877113665 1137670443 /nfs/dbraw/zinc/67/04/43/1137670443.db2.gz NLUNULLPFBEEFP-UHFFFAOYSA-N 0 3 341.451 3.686 20 10 EHCDHN Cc1ccc2c(c1)CCN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877472562 1137677452 /nfs/dbraw/zinc/67/74/52/1137677452.db2.gz WOMGWIUDKKPMEL-UHFFFAOYSA-N 0 3 336.479 3.514 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877616410 1137683191 /nfs/dbraw/zinc/68/31/91/1137683191.db2.gz INGCQVUTUNOTEO-UHFFFAOYSA-N 0 3 346.471 3.534 20 10 EHCDHN COCCc1ccc(OC[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877755928 1137688085 /nfs/dbraw/zinc/68/80/85/1137688085.db2.gz TUYCUVAJRUCEQH-HZPDHXFCSA-N 0 3 329.440 3.699 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCC2(CCOCC2)O1)C1CCCC1 ZINC000878103702 1137702449 /nfs/dbraw/zinc/70/24/49/1137702449.db2.gz MNMVCRCHIPNNJB-LJQANCHMSA-N 0 3 345.483 3.865 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCC2(CCOCC2)O1)C1CCCC1 ZINC000878103702 1137702450 /nfs/dbraw/zinc/70/24/50/1137702450.db2.gz MNMVCRCHIPNNJB-LJQANCHMSA-N 0 3 345.483 3.865 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878326729 1137711053 /nfs/dbraw/zinc/71/10/53/1137711053.db2.gz UYTIHOUNPTZQHV-VQIMIIECSA-N 0 3 348.450 3.734 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878326729 1137711054 /nfs/dbraw/zinc/71/10/54/1137711054.db2.gz UYTIHOUNPTZQHV-VQIMIIECSA-N 0 3 348.450 3.734 20 10 EHCDHN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648950 1137753603 /nfs/dbraw/zinc/75/36/03/1137753603.db2.gz HEBMMSVLQLYBGH-BZUAXINKSA-N 0 3 326.440 3.617 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1[O-] ZINC000879649768 1137753696 /nfs/dbraw/zinc/75/36/96/1137753696.db2.gz UNFBMDVGEWTAFC-MRXNPFEDSA-N 0 3 338.451 3.869 20 10 EHCDHN Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000879648802 1137753715 /nfs/dbraw/zinc/75/37/15/1137753715.db2.gz FDNHJUBONDDVSD-HZPDHXFCSA-N 0 3 326.440 3.995 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000879651292 1137753793 /nfs/dbraw/zinc/75/37/93/1137753793.db2.gz QIDUCRNNRYKNLA-OFQRWUPVSA-N 0 3 344.480 3.857 20 10 EHCDHN CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651628 1137753891 /nfs/dbraw/zinc/75/38/91/1137753891.db2.gz DVHOAELQCZRKMT-HNNXBMFYSA-N 0 3 326.440 3.629 20 10 EHCDHN CCn1cc(CNCc2ccc(N(C)C)cc2)c(-c2ccccc2)n1 ZINC000882880862 1137836661 /nfs/dbraw/zinc/83/66/61/1137836661.db2.gz MBHYWTKAOQBYHU-UHFFFAOYSA-N 0 3 334.467 3.926 20 10 EHCDHN CCCN(CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccccc1O ZINC000130721558 1137841341 /nfs/dbraw/zinc/84/13/41/1137841341.db2.gz VQAZUPIYRCRONA-KRWDZBQOSA-N 0 3 340.467 3.824 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000109771416 1137897387 /nfs/dbraw/zinc/89/73/87/1137897387.db2.gz CBLQXXYWCCPWSZ-UHFFFAOYSA-N 0 3 348.830 3.515 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000109771416 1137897388 /nfs/dbraw/zinc/89/73/88/1137897388.db2.gz CBLQXXYWCCPWSZ-UHFFFAOYSA-N 0 3 348.830 3.515 20 10 EHCDHN COc1cc(C)ccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119805233 1137944620 /nfs/dbraw/zinc/94/46/20/1137944620.db2.gz MXNCTYLDCIMYOS-QGZVFWFLSA-N 0 3 340.467 3.691 20 10 EHCDHN Cc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1 ZINC000134374003 1137957329 /nfs/dbraw/zinc/95/73/29/1137957329.db2.gz IBYONCFULBXCNN-INIZCTEOSA-N 0 3 347.409 3.750 20 10 EHCDHN COc1ccc(N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000140146096 1138224548 /nfs/dbraw/zinc/22/45/48/1138224548.db2.gz LKSLPHTZWHFWRJ-UHFFFAOYSA-N 0 3 333.435 3.566 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2-n2cccn2)cc1 ZINC000177903411 1139653187 /nfs/dbraw/zinc/65/31/87/1139653187.db2.gz CZXITCJPOKBBHX-MRXNPFEDSA-N 0 3 335.455 3.574 20 10 EHCDHN CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1[O-])O[C@@H](C)C2 ZINC000179903062 1139791511 /nfs/dbraw/zinc/79/15/11/1139791511.db2.gz QKBDNNWOJVLERW-KBPBESRZSA-N 0 3 327.424 3.965 20 10 EHCDHN Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1O ZINC000183512952 1140043959 /nfs/dbraw/zinc/04/39/59/1140043959.db2.gz IXFXKYZRRWBIPG-SFHVURJKSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1O ZINC000183512952 1140043965 /nfs/dbraw/zinc/04/39/65/1140043965.db2.gz IXFXKYZRRWBIPG-SFHVURJKSA-N 0 3 327.424 3.587 20 10 EHCDHN CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1nccs1 ZINC000183635663 1140051012 /nfs/dbraw/zinc/05/10/12/1140051012.db2.gz GEEZAGCMEHUMLE-OCCSQVGLSA-N 0 3 333.457 3.553 20 10 EHCDHN COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000185269641 1140142650 /nfs/dbraw/zinc/14/26/50/1140142650.db2.gz MIPITDGMUFZAEA-IAGOWNOFSA-N 0 3 340.467 3.886 20 10 EHCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185712260 1140165763 /nfs/dbraw/zinc/16/57/63/1140165763.db2.gz UFSOAVANUIQDLK-JKSUJKDBSA-N 0 3 326.440 3.639 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccccn2)c1[O-] ZINC000186910510 1140228075 /nfs/dbraw/zinc/22/80/75/1140228075.db2.gz PTTDDGYJBDTSEJ-LBPRGKRZSA-N 0 3 335.245 3.751 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)c1[O-] ZINC000187307245 1140249121 /nfs/dbraw/zinc/24/91/21/1140249121.db2.gz QOKIYEZDKAKWJH-RYUDHWBXSA-N 0 3 342.277 3.929 20 10 EHCDHN COCCOc1ccccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000268821875 1140999222 /nfs/dbraw/zinc/99/92/22/1140999222.db2.gz XTSCWNKGJVSOCF-MRXNPFEDSA-N 0 3 328.456 3.629 20 10 EHCDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccncc1 ZINC000271050823 1141300782 /nfs/dbraw/zinc/30/07/82/1141300782.db2.gz AJMVJQOJOABRAO-BZUAXINKSA-N 0 3 343.446 3.685 20 10 EHCDHN COCC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(C)o1 ZINC000273804055 1141422426 /nfs/dbraw/zinc/42/24/26/1141422426.db2.gz XPPBRFXIXSCFPS-CQSZACIVSA-N 0 3 339.819 3.823 20 10 EHCDHN CN(C)c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160167316 1014177910 /nfs/dbraw/zinc/17/79/10/1014177910.db2.gz XVWGPPAZCWFQGT-HXUWFJFHSA-N 0 3 340.467 3.639 20 10 EHCDHN CN(C)c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160167316 1014177916 /nfs/dbraw/zinc/17/79/16/1014177916.db2.gz XVWGPPAZCWFQGT-HXUWFJFHSA-N 0 3 340.467 3.639 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000154868427 1015878440 /nfs/dbraw/zinc/87/84/40/1015878440.db2.gz VJKRXMAZIABVKJ-IAGOWNOFSA-N 0 3 346.496 3.568 20 10 EHCDHN CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000155226426 1016325272 /nfs/dbraw/zinc/32/52/72/1016325272.db2.gz LVHDDFNLRWGPAZ-GOSISDBHSA-N 0 3 332.488 3.860 20 10 EHCDHN Cc1c(F)cccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001204512440 1018268594 /nfs/dbraw/zinc/26/85/94/1018268594.db2.gz IHXYKJQWNSOFKP-UHFFFAOYSA-N 0 3 328.431 3.603 20 10 EHCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000280256345 1020223477 /nfs/dbraw/zinc/22/34/77/1020223477.db2.gz WXVPKHOMHARAFV-QGZVFWFLSA-N 0 3 346.858 3.825 20 10 EHCDHN Cc1cc(O)c(CN2CCN(c3ccccn3)CC2)cc1C(C)C ZINC000007074604 1021234038 /nfs/dbraw/zinc/23/40/38/1021234038.db2.gz IWJSLPIHCOTZFO-UHFFFAOYSA-N 0 3 325.456 3.541 20 10 EHCDHN COc1ccc(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)c([O-])c1OC ZINC000894863463 1021513783 /nfs/dbraw/zinc/51/37/83/1021513783.db2.gz RLAPGDHGZJEUOO-ZDUSSCGKSA-N 0 3 333.403 3.612 20 10 EHCDHN COc1ccc(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)c([O-])c1OC ZINC000894863463 1021513788 /nfs/dbraw/zinc/51/37/88/1021513788.db2.gz RLAPGDHGZJEUOO-ZDUSSCGKSA-N 0 3 333.403 3.612 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894797867 1022921053 /nfs/dbraw/zinc/92/10/53/1022921053.db2.gz ANQLXNQNPYIMKF-FQEVSTJZSA-N 0 3 327.424 3.692 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894797868 1022921210 /nfs/dbraw/zinc/92/12/10/1022921210.db2.gz ANQLXNQNPYIMKF-HXUWFJFHSA-N 0 3 327.424 3.692 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3c(=O)cc[nH]c3c2)cc1 ZINC000895202461 1023968068 /nfs/dbraw/zinc/96/80/68/1023968068.db2.gz OVTOIRGBVJMBOU-UHFFFAOYSA-N 0 3 335.451 3.664 20 10 EHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(c4ccncn4)CC3)c2c1 ZINC000840169746 1024449286 /nfs/dbraw/zinc/44/92/86/1024449286.db2.gz CPCHSWRXHLLVBK-UHFFFAOYSA-N 0 3 349.434 3.724 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NC2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000897862509 1033212795 /nfs/dbraw/zinc/21/27/95/1033212795.db2.gz JIQGUVOYSZFEDA-CYBMUJFWSA-N 0 3 341.407 3.512 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H]1CCCOC1 ZINC000895661643 1024701420 /nfs/dbraw/zinc/70/14/20/1024701420.db2.gz CRSRPOFVTDNZCK-SWLSCSKDSA-N 0 3 342.277 3.758 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2CCC3(COC3)CC2)c1[O-] ZINC000895694954 1024727408 /nfs/dbraw/zinc/72/74/08/1024727408.db2.gz NSIIYEWFCRADLN-UHFFFAOYSA-N 0 3 340.261 3.512 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@@H+]2Cc3cccc([O-])c3C2)C1 ZINC000895784201 1024828704 /nfs/dbraw/zinc/82/87/04/1024828704.db2.gz DWZXWMWKVACDRS-HXUWFJFHSA-N 0 3 346.471 3.745 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2Cc3cccc([O-])c3C2)C1 ZINC000895784201 1024828727 /nfs/dbraw/zinc/82/87/27/1024828727.db2.gz DWZXWMWKVACDRS-HXUWFJFHSA-N 0 3 346.471 3.745 20 10 EHCDHN COc1ccc(CNCc2ccc(C(F)(F)F)s2)c(O)c1OC ZINC000895930169 1024984257 /nfs/dbraw/zinc/98/42/57/1024984257.db2.gz FYJCPAVQPWIDKM-UHFFFAOYSA-N 0 3 347.358 3.780 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(C)cc1[O-] ZINC000281571703 1025245350 /nfs/dbraw/zinc/24/53/50/1025245350.db2.gz KNCRBWJJHJYECS-INIZCTEOSA-N 0 3 331.485 3.867 20 10 EHCDHN CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nccs1 ZINC000152250132 1025435390 /nfs/dbraw/zinc/43/53/90/1025435390.db2.gz SLTOYZWSGJXDFG-QGZVFWFLSA-N 0 3 331.485 3.861 20 10 EHCDHN C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1ccccc1[O-] ZINC000783507860 1026012802 /nfs/dbraw/zinc/01/28/02/1026012802.db2.gz BSBRXYQRIUUDMY-MRXNPFEDSA-N 0 3 334.529 3.795 20 10 EHCDHN C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1ccccc1[O-] ZINC000783507858 1026013493 /nfs/dbraw/zinc/01/34/93/1026013493.db2.gz BSBRXYQRIUUDMY-INIZCTEOSA-N 0 3 334.529 3.795 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000840945288 1027882434 /nfs/dbraw/zinc/88/24/34/1027882434.db2.gz HUNLVRPCJCOHSV-IBGZPJMESA-N 0 3 332.875 3.928 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760018368 1028589764 /nfs/dbraw/zinc/58/97/64/1028589764.db2.gz OFXOVLIUDPCSHG-WMZOPIPTSA-N 0 3 342.508 3.660 20 10 EHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)o1 ZINC000278215812 1029698919 /nfs/dbraw/zinc/69/89/19/1029698919.db2.gz IIDPUOVSXQIDCA-MRXNPFEDSA-N 0 3 342.483 3.956 20 10 EHCDHN Cc1ccc([C@H](C)NCc2cc(C(F)(F)F)nn2C)c(O)c1C ZINC000926928599 1031488585 /nfs/dbraw/zinc/48/85/85/1031488585.db2.gz NGRARPVLJMEHPB-NSHDSACASA-N 0 3 327.350 3.612 20 10 EHCDHN CCOCc1cc(CN[C@H](c2ccncc2)C2CC2)ccc1OC ZINC000898324227 1033434439 /nfs/dbraw/zinc/43/44/39/1033434439.db2.gz FIRZEQMQLUEIIX-FQEVSTJZSA-N 0 3 326.440 3.868 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)c([O-])c1 ZINC000529556548 1034196150 /nfs/dbraw/zinc/19/61/50/1034196150.db2.gz JZIZLGYAZGLGTR-UHFFFAOYSA-N 0 3 341.329 3.718 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc2c(cc1OC)OCO2 ZINC000761194743 1034377808 /nfs/dbraw/zinc/37/78/08/1034377808.db2.gz HETMCIUHNUBPNP-UHFFFAOYSA-N 0 3 329.396 3.542 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc2c(cc1OC)OCO2 ZINC000761194743 1034377823 /nfs/dbraw/zinc/37/78/23/1034377823.db2.gz HETMCIUHNUBPNP-UHFFFAOYSA-N 0 3 329.396 3.542 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCCCC(=O)OC(C)(C)C)c1[O-] ZINC000761214310 1034561330 /nfs/dbraw/zinc/56/13/30/1034561330.db2.gz CKGBSORQFFOOPU-UHFFFAOYSA-N 0 3 343.851 3.656 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c1[O-] ZINC000761215257 1034579595 /nfs/dbraw/zinc/57/95/95/1034579595.db2.gz HZXVZGFGHWLRCF-OAHLLOKOSA-N 0 3 327.852 3.739 20 10 EHCDHN COc1cc(Cl)cc(CN[C@@H]2CCOc3c(C)cccc32)c1O ZINC000188011148 1035887241 /nfs/dbraw/zinc/88/72/41/1035887241.db2.gz DFBOPSJABIVEKO-OAHLLOKOSA-N 0 3 333.815 3.976 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c1[O-] ZINC000188011148 1035887257 /nfs/dbraw/zinc/88/72/57/1035887257.db2.gz DFBOPSJABIVEKO-OAHLLOKOSA-N 0 3 333.815 3.976 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1[O-] ZINC000897417992 1036318511 /nfs/dbraw/zinc/31/85/11/1036318511.db2.gz JGLHEEDDUOOREU-LLVKDONJSA-N 0 3 333.815 3.840 20 10 EHCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000152389445 1036520274 /nfs/dbraw/zinc/52/02/74/1036520274.db2.gz UGCWVVBNNPGXDJ-QFIPXVFZSA-N 0 3 349.430 3.794 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121101833 1037953302 /nfs/dbraw/zinc/95/33/02/1037953302.db2.gz VLECEKBOIMIRTB-GOEBONIOSA-N 0 3 334.460 3.690 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000157676260 1037966699 /nfs/dbraw/zinc/96/66/99/1037966699.db2.gz UJRDYRXUEYQUHQ-KYOSRNDESA-N 0 3 341.293 3.678 20 10 EHCDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)c(=O)n1C ZINC000279629081 1044344308 /nfs/dbraw/zinc/34/43/08/1044344308.db2.gz YXWPDXQYHFAPNH-QGZVFWFLSA-N 0 3 339.483 3.535 20 10 EHCDHN COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCCC2)cc1 ZINC000183382885 1125543864 /nfs/dbraw/zinc/54/38/64/1125543864.db2.gz NPDYYVXUJNYOFA-OXQOHEQNSA-N 0 3 340.467 3.889 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccccc1[O-] ZINC000183509026 1125588729 /nfs/dbraw/zinc/58/87/29/1125588729.db2.gz PSAAZEGOOKGCOO-INIZCTEOSA-N 0 3 341.451 3.939 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183546694 1125598588 /nfs/dbraw/zinc/59/85/88/1125598588.db2.gz DLXYXVMCNSQJLT-NUEKZKHPSA-N 0 3 334.460 3.879 20 10 EHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC(F)F ZINC000184950380 1126722522 /nfs/dbraw/zinc/72/25/22/1126722522.db2.gz SPAJMPCOFHGJIL-JTQLQIEISA-N 0 3 341.329 3.992 20 10 EHCDHN C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000185326849 1126870035 /nfs/dbraw/zinc/87/00/35/1126870035.db2.gz CRVBFAYMRYVHMV-MEDUHNTESA-N 0 3 343.320 3.632 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185400290 1126885631 /nfs/dbraw/zinc/88/56/31/1126885631.db2.gz MPJOOUXPRPFKSN-GXTWGEPZSA-N 0 3 338.423 3.581 20 10 EHCDHN Oc1ccccc1CN(Cc1ccc(F)c(F)c1)C[C@H]1CCCO1 ZINC000072952791 1126949332 /nfs/dbraw/zinc/94/93/32/1126949332.db2.gz BLTSAKSFPPFUCV-MRXNPFEDSA-N 0 3 333.378 3.852 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000765610662 1127706436 /nfs/dbraw/zinc/70/64/36/1127706436.db2.gz WUUGQDYTTBKUFB-CYBMUJFWSA-N 0 3 336.435 3.702 20 10 EHCDHN CCC(=O)Nc1cccc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001648819284 1120048237 /nfs/dbraw/zinc/04/82/37/1120048237.db2.gz WRBAAGHQJJKGAS-UHFFFAOYSA-N 0 3 337.467 3.925 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc([S@@](C)=O)cc1 ZINC000921931266 1128933931 /nfs/dbraw/zinc/93/39/31/1128933931.db2.gz DLOPOBXGAXMVNN-QKFKETGDSA-N 0 3 329.465 3.600 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000282496760 1129949280 /nfs/dbraw/zinc/94/92/80/1129949280.db2.gz RORNBTXGXCBECG-RDJZCZTQSA-N 0 3 339.439 3.658 20 10 EHCDHN CCCN(CC(=O)N[C@H](C)c1cccs1)Cc1ccccc1O ZINC000727831409 1130597504 /nfs/dbraw/zinc/59/75/04/1130597504.db2.gz ZOZGHXXSPPACJR-CQSZACIVSA-N 0 3 332.469 3.543 20 10 EHCDHN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc2c(cc1O)CCC2 ZINC000732187499 1130892822 /nfs/dbraw/zinc/89/28/22/1130892822.db2.gz NZZAPCCIWYXJJQ-QGZVFWFLSA-N 0 3 336.479 3.587 20 10 EHCDHN CN(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CC(F)(F)F ZINC000732668971 1130946887 /nfs/dbraw/zinc/94/68/87/1130946887.db2.gz MDRFJPOFVZPMCQ-UHFFFAOYSA-N 0 3 338.373 3.643 20 10 EHCDHN CC(C)(C)OC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742372961 1131716646 /nfs/dbraw/zinc/71/66/46/1131716646.db2.gz ZMIVTGZSMHIINE-UHFFFAOYSA-N 0 3 327.424 3.881 20 10 EHCDHN CCOc1ccc(N2CCN([C@H](C)CCOCC(C)C)CC2)cc1 ZINC001172478156 1131737057 /nfs/dbraw/zinc/73/70/57/1131737057.db2.gz GWOQXRFBPNFQOZ-GOSISDBHSA-N 0 3 334.504 3.659 20 10 EHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)CCS1 ZINC000743397605 1131912240 /nfs/dbraw/zinc/91/22/40/1131912240.db2.gz OOTPNOSSWLOMOK-CQSZACIVSA-N 0 3 345.464 3.659 20 10 EHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)CCS1 ZINC000743397605 1131912247 /nfs/dbraw/zinc/91/22/47/1131912247.db2.gz OOTPNOSSWLOMOK-CQSZACIVSA-N 0 3 345.464 3.659 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cc(C)cc(C)c1 ZINC000743870282 1131995347 /nfs/dbraw/zinc/99/53/47/1131995347.db2.gz OPANZTBZUDXLQD-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cc(C)cc(C)c1 ZINC000743870282 1131995354 /nfs/dbraw/zinc/99/53/54/1131995354.db2.gz OPANZTBZUDXLQD-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN COc1ccc(-c2cccnc2)cc1N1CCCc2ccc(CN)nc21 ZINC001169591967 1132791379 /nfs/dbraw/zinc/79/13/79/1132791379.db2.gz FBAPVDQAHKWTFU-UHFFFAOYSA-N 0 3 346.434 3.695 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000768132781 1133100270 /nfs/dbraw/zinc/10/02/70/1133100270.db2.gz LLFIXCTVBIGYRX-UHFFFAOYSA-N 0 3 342.439 3.512 20 10 EHCDHN CC(C)C[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440610 1133138816 /nfs/dbraw/zinc/13/88/16/1133138816.db2.gz RHQHPFMWDDRUFB-LJQANCHMSA-N 0 3 345.414 3.615 20 10 EHCDHN CC(C)C[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440610 1133138819 /nfs/dbraw/zinc/13/88/19/1133138819.db2.gz RHQHPFMWDDRUFB-LJQANCHMSA-N 0 3 345.414 3.615 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1F ZINC000769314216 1133260058 /nfs/dbraw/zinc/26/00/58/1133260058.db2.gz WJOULXSPAOWRGD-QGZVFWFLSA-N 0 3 330.451 3.706 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000769326916 1133262168 /nfs/dbraw/zinc/26/21/68/1133262168.db2.gz QVXNRZMKIANVPA-OAHLLOKOSA-N 0 3 329.440 3.863 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000769326916 1133262173 /nfs/dbraw/zinc/26/21/73/1133262173.db2.gz QVXNRZMKIANVPA-OAHLLOKOSA-N 0 3 329.440 3.863 20 10 EHCDHN COC(=O)CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000769403970 1133278152 /nfs/dbraw/zinc/27/81/52/1133278152.db2.gz GHWLCTBMACTBES-UHFFFAOYSA-N 0 3 327.424 3.833 20 10 EHCDHN COC(=O)CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000769403970 1133278156 /nfs/dbraw/zinc/27/81/56/1133278156.db2.gz GHWLCTBMACTBES-UHFFFAOYSA-N 0 3 327.424 3.833 20 10 EHCDHN OC[C@@H]1c2ccccc2CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000769444811 1133291792 /nfs/dbraw/zinc/29/17/92/1133291792.db2.gz CJUCHZVICHVGNP-JOCHJYFZSA-N 0 3 336.479 3.769 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c([O-])c1 ZINC000769504745 1133304574 /nfs/dbraw/zinc/30/45/74/1133304574.db2.gz YOYXLFVLYLUSCK-SFHVURJKSA-N 0 3 326.440 3.867 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c([O-])c1 ZINC000769504745 1133304577 /nfs/dbraw/zinc/30/45/77/1133304577.db2.gz YOYXLFVLYLUSCK-SFHVURJKSA-N 0 3 326.440 3.867 20 10 EHCDHN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cc3c(cc2O)OCO3)o1 ZINC000769549997 1133313512 /nfs/dbraw/zinc/31/35/12/1133313512.db2.gz QKZKJEVTUVSPIR-WFASDCNBSA-N 0 3 329.396 3.996 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000769934764 1133369587 /nfs/dbraw/zinc/36/95/87/1133369587.db2.gz OSANSKMXPHBHBL-GOSISDBHSA-N 0 3 325.433 3.944 20 10 EHCDHN OC[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccsc1 ZINC000769934764 1133369595 /nfs/dbraw/zinc/36/95/95/1133369595.db2.gz OSANSKMXPHBHBL-GOSISDBHSA-N 0 3 325.433 3.944 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4c3CCC4)c2)CC1 ZINC000770148134 1133393018 /nfs/dbraw/zinc/39/30/18/1133393018.db2.gz PGHOBWJJPBKYNV-UHFFFAOYSA-N 0 3 349.478 3.570 20 10 EHCDHN COc1cc(C)c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c([O-])c1 ZINC001180601628 1133397266 /nfs/dbraw/zinc/39/72/66/1133397266.db2.gz APEVXIJTCAYFKS-UHFFFAOYSA-N 0 3 341.451 3.629 20 10 EHCDHN CCOc1ccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c([O-])c1 ZINC000770303649 1133408493 /nfs/dbraw/zinc/40/84/93/1133408493.db2.gz KLFLGAWKKJOGLS-LJQANCHMSA-N 0 3 341.451 3.625 20 10 EHCDHN CCOc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c([O-])c1 ZINC000770303649 1133408496 /nfs/dbraw/zinc/40/84/96/1133408496.db2.gz KLFLGAWKKJOGLS-LJQANCHMSA-N 0 3 341.451 3.625 20 10 EHCDHN COC1(CN(Cc2ccco2)Cc2ccc(N(C)C)cc2)CCC1 ZINC001181564557 1133503796 /nfs/dbraw/zinc/50/37/96/1133503796.db2.gz NADYODIULHTTQL-UHFFFAOYSA-N 0 3 328.456 3.917 20 10 EHCDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000771376316 1133547014 /nfs/dbraw/zinc/54/70/14/1133547014.db2.gz WMBZTDQKZIGZCF-SJLPKXTDSA-N 0 3 339.483 3.947 20 10 EHCDHN Cc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774485715 1133689080 /nfs/dbraw/zinc/68/90/80/1133689080.db2.gz UTLJGLNNXQLPBI-HZPDHXFCSA-N 0 3 325.456 3.739 20 10 EHCDHN COc1ccc(CN(Cc2ccccc2F)CC2CC2)c(O)c1OC ZINC001182950914 1133750977 /nfs/dbraw/zinc/75/09/77/1133750977.db2.gz XDBNZVJKIHFBQA-UHFFFAOYSA-N 0 3 345.414 3.961 20 10 EHCDHN Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000786580438 1133869688 /nfs/dbraw/zinc/86/96/88/1133869688.db2.gz AMPCDWCZOYEPPD-UNEWFSDZSA-N 0 3 329.415 3.581 20 10 EHCDHN COc1cc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(O)cc1C ZINC000789482996 1134281682 /nfs/dbraw/zinc/28/16/82/1134281682.db2.gz STMYUXJIJGTXML-LSDHHAIUSA-N 0 3 330.255 3.725 20 10 EHCDHN CCOC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000789589332 1134299924 /nfs/dbraw/zinc/29/99/24/1134299924.db2.gz OHRIIVKAXRGUMX-CQSZACIVSA-N 0 3 330.266 3.614 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(N(C)C(C)C)nc1 ZINC000790964711 1134486520 /nfs/dbraw/zinc/48/65/20/1134486520.db2.gz GHUIVARKBTZEHS-UHFFFAOYSA-N 0 3 326.488 3.590 20 10 EHCDHN COC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCCC1 ZINC000792157336 1134659176 /nfs/dbraw/zinc/65/91/76/1134659176.db2.gz UQWPDNKIFNMWFD-SFHVURJKSA-N 0 3 333.472 3.723 20 10 EHCDHN COC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCCC1 ZINC000792157336 1134659178 /nfs/dbraw/zinc/65/91/78/1134659178.db2.gz UQWPDNKIFNMWFD-SFHVURJKSA-N 0 3 333.472 3.723 20 10 EHCDHN CC(C)(C)N1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000747100358 1134849605 /nfs/dbraw/zinc/84/96/05/1134849605.db2.gz YUEUXANBVIBZNN-SFHVURJKSA-N 0 3 338.451 3.548 20 10 EHCDHN CC[C@H]([NH2+][C@H](CN(C)C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000793573639 1134970608 /nfs/dbraw/zinc/97/06/08/1134970608.db2.gz SADMORLOLQMSQK-RBUKOAKNSA-N 0 3 328.456 3.744 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1[O-] ZINC000793609587 1134971126 /nfs/dbraw/zinc/97/11/26/1134971126.db2.gz PTQWLYXUSPQHAY-OAHLLOKOSA-N 0 3 342.277 3.590 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCCCC[C@@H]2CCO)c1[O-] ZINC000793609587 1134971134 /nfs/dbraw/zinc/97/11/34/1134971134.db2.gz PTQWLYXUSPQHAY-OAHLLOKOSA-N 0 3 342.277 3.590 20 10 EHCDHN CC[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000775526693 1135012194 /nfs/dbraw/zinc/01/21/94/1135012194.db2.gz TXMFSIVCTVVBPW-CYBMUJFWSA-N 0 3 340.345 3.926 20 10 EHCDHN Cc1cc(Br)cc(CN(C)Cc2cccc(O)c2)c1O ZINC000775633831 1135363532 /nfs/dbraw/zinc/36/35/32/1135363532.db2.gz LVENYMJESYWFQC-UHFFFAOYSA-N 0 3 336.229 3.801 20 10 EHCDHN CCCN(Cc1cccc(C)c1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000775667963 1135454289 /nfs/dbraw/zinc/45/42/89/1135454289.db2.gz PPBDTAAIGLEMDG-MRXNPFEDSA-N 0 3 326.440 3.940 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000775739181 1135597499 /nfs/dbraw/zinc/59/74/99/1135597499.db2.gz MJXJLNZTSKVEAU-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000775739181 1135597503 /nfs/dbraw/zinc/59/75/03/1135597503.db2.gz MJXJLNZTSKVEAU-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000775739181 1135597509 /nfs/dbraw/zinc/59/75/09/1135597509.db2.gz MJXJLNZTSKVEAU-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000775739181 1135597513 /nfs/dbraw/zinc/59/75/13/1135597513.db2.gz MJXJLNZTSKVEAU-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN COCCCN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808689805 1135711739 /nfs/dbraw/zinc/71/17/39/1135711739.db2.gz GTARHHRBYNRYEP-AWEZNQCLSA-N 0 3 340.895 3.506 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1[O-] ZINC000808678219 1135714916 /nfs/dbraw/zinc/71/49/16/1135714916.db2.gz LWUXAHIZPOYIPR-ZDUSSCGKSA-N 0 3 338.879 3.844 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)c1[O-] ZINC000808705692 1135716726 /nfs/dbraw/zinc/71/67/26/1135716726.db2.gz OKYYRFXQRQXSPA-LBPRGKRZSA-N 0 3 333.815 3.976 20 10 EHCDHN CSc1cccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775830749 1135785012 /nfs/dbraw/zinc/78/50/12/1135785012.db2.gz NETAKVPSRGXNMK-CQSZACIVSA-N 0 3 343.496 3.764 20 10 EHCDHN C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc(N(C)C)cc1 ZINC000775832272 1135789343 /nfs/dbraw/zinc/78/93/43/1135789343.db2.gz XVQPKGRYRAGYQM-GFCCVEGCSA-N 0 3 349.837 3.834 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C1CCCCC1 ZINC000775834863 1135795330 /nfs/dbraw/zinc/79/53/30/1135795330.db2.gz RFJAVCVUBMGKRI-HOTGVXAUSA-N 0 3 331.504 3.583 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000809705336 1135875251 /nfs/dbraw/zinc/87/52/51/1135875251.db2.gz RFYWXJACVNHZFU-QGZVFWFLSA-N 0 3 344.421 3.812 20 10 EHCDHN COc1ccc(CN[C@H](C)c2cc(Cl)cc(C)c2O)c(OC)n1 ZINC000810261262 1135944767 /nfs/dbraw/zinc/94/47/67/1135944767.db2.gz UOXFQBHAVAGCSX-LLVKDONJSA-N 0 3 336.819 3.617 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccncc2)c1[O-] ZINC000776222503 1136071145 /nfs/dbraw/zinc/07/11/45/1136071145.db2.gz MRVZKXCWXGVPJX-LBPRGKRZSA-N 0 3 335.245 3.579 20 10 EHCDHN CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000106856668 1136154249 /nfs/dbraw/zinc/15/42/49/1136154249.db2.gz YBDFGZAYJPTCMV-HNNXBMFYSA-N 0 3 342.439 3.644 20 10 EHCDHN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000106856668 1136154252 /nfs/dbraw/zinc/15/42/52/1136154252.db2.gz YBDFGZAYJPTCMV-HNNXBMFYSA-N 0 3 342.439 3.644 20 10 EHCDHN COC[C@H](C)Oc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000850098963 1136211100 /nfs/dbraw/zinc/21/11/00/1136211100.db2.gz CLQURXHHKMBVSQ-HNNXBMFYSA-N 0 3 346.446 3.595 20 10 EHCDHN COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCOCC1 ZINC000850350680 1136238847 /nfs/dbraw/zinc/23/88/47/1136238847.db2.gz FHMFYSPSCDAKTE-FQEVSTJZSA-N 0 3 341.451 3.590 20 10 EHCDHN CCOCc1cc(CN[C@@H]2CCc3ccc(O)cc32)ccc1OC ZINC000850386356 1136247335 /nfs/dbraw/zinc/24/73/35/1136247335.db2.gz IDYRVAGVRBPVRE-LJQANCHMSA-N 0 3 327.424 3.714 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c1[O-] ZINC000850481334 1136266940 /nfs/dbraw/zinc/26/69/40/1136266940.db2.gz GLWYCRPIYQXPPJ-CMPLNLGQSA-N 0 3 328.250 3.681 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1C ZINC000850485702 1136267902 /nfs/dbraw/zinc/26/79/02/1136267902.db2.gz MVBZXBVDHWHKGR-LLVKDONJSA-N 0 3 325.334 3.669 20 10 EHCDHN CC[C@H](NCc1cnc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000850485767 1136268372 /nfs/dbraw/zinc/26/83/72/1136268372.db2.gz NBIWSGXNLNTZMZ-HNNXBMFYSA-N 0 3 338.377 3.802 20 10 EHCDHN COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000850487715 1136268963 /nfs/dbraw/zinc/26/89/63/1136268963.db2.gz JBCWFTZQOQPVNS-JKSUJKDBSA-N 0 3 326.440 3.639 20 10 EHCDHN C[C@H]([NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1(CO)CC1 ZINC000850515150 1136275456 /nfs/dbraw/zinc/27/54/56/1136275456.db2.gz IWQOOIKOCHURNC-LPHOPBHVSA-N 0 3 325.452 3.817 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2c(C3CCC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850552725 1136283604 /nfs/dbraw/zinc/28/36/04/1136283604.db2.gz XTABWIRKOQJMJN-NHYWBVRUSA-N 0 3 329.419 3.870 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccccc1[O-] ZINC000850576992 1136291367 /nfs/dbraw/zinc/29/13/67/1136291367.db2.gz VKLISGVSPSIIBG-ATZDWAIDSA-N 0 3 338.451 3.784 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCCO1 ZINC000111232899 1136524429 /nfs/dbraw/zinc/52/44/29/1136524429.db2.gz BJAVXSLBHWCVCQ-IBGZPJMESA-N 0 3 339.435 3.508 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCCO1 ZINC000111232899 1136524433 /nfs/dbraw/zinc/52/44/33/1136524433.db2.gz BJAVXSLBHWCVCQ-IBGZPJMESA-N 0 3 339.435 3.508 20 10 EHCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582549 1136614313 /nfs/dbraw/zinc/61/43/13/1136614313.db2.gz JJWQXNPPWZIROF-MOXGXCLJSA-N 0 3 345.508 3.768 20 10 EHCDHN CC(C)[C@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815625590 1136620495 /nfs/dbraw/zinc/62/04/95/1136620495.db2.gz HKFRDMJONQZIQH-AZUAARDMSA-N 0 3 327.468 3.920 20 10 EHCDHN COc1cccc(CNCc2sccc2Br)c1O ZINC000112838193 1136656077 /nfs/dbraw/zinc/65/60/77/1136656077.db2.gz JGPBYZZWIKOBNO-UHFFFAOYSA-N 0 3 328.231 3.515 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)O ZINC000816653477 1136745051 /nfs/dbraw/zinc/74/50/51/1136745051.db2.gz UQBTXWJACYTAEE-IBGZPJMESA-N 0 3 329.440 3.610 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNCc2cccnc2)c1[O-] ZINC000817940368 1136848072 /nfs/dbraw/zinc/84/80/72/1136848072.db2.gz MAFNIVLVRMVCMH-AWEZNQCLSA-N 0 3 333.863 3.580 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(F)c(F)c1N(C)C ZINC000858138909 1136942763 /nfs/dbraw/zinc/94/27/63/1136942763.db2.gz LUYQVKRHMYQIEW-UHFFFAOYSA-N 0 3 333.426 3.695 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1[O-] ZINC000858489446 1136972550 /nfs/dbraw/zinc/97/25/50/1136972550.db2.gz CVUHNXWRNLDPRU-RHSMWYFYSA-N 0 3 346.858 3.602 20 10 EHCDHN CC(=O)N(C)c1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000858495361 1136973532 /nfs/dbraw/zinc/97/35/32/1136973532.db2.gz CCMIRQVBQGIOSM-PXAZEXFGSA-N 0 3 342.414 3.852 20 10 EHCDHN C[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409139 1137098853 /nfs/dbraw/zinc/09/88/53/1137098853.db2.gz VMCZVMVFONNZHT-JKSUJKDBSA-N 0 3 348.487 3.860 20 10 EHCDHN C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409139 1137098855 /nfs/dbraw/zinc/09/88/55/1137098855.db2.gz VMCZVMVFONNZHT-JKSUJKDBSA-N 0 3 348.487 3.860 20 10 EHCDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000119074017 1137155783 /nfs/dbraw/zinc/15/57/83/1137155783.db2.gz LAAVFKDMSRUAJF-OAHLLOKOSA-N 0 3 346.421 3.961 20 10 EHCDHN Cc1cc(C)c(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cn1 ZINC000825221612 1137169482 /nfs/dbraw/zinc/16/94/82/1137169482.db2.gz UBFBKYIXZKOHHG-UHFFFAOYSA-N 0 3 335.245 3.765 20 10 EHCDHN CN(C)c1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1F ZINC000825312272 1137174111 /nfs/dbraw/zinc/17/41/11/1137174111.db2.gz SAADVSCROMYPLG-GOSISDBHSA-N 0 3 348.487 3.947 20 10 EHCDHN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000844384168 1137215809 /nfs/dbraw/zinc/21/58/09/1137215809.db2.gz CCYLIQUWUCGFLN-QUCCMNQESA-N 0 3 346.515 3.691 20 10 EHCDHN CC[C@H]1COC(C)(C)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000844385965 1137216152 /nfs/dbraw/zinc/21/61/52/1137216152.db2.gz LCGWUMOKGIDRNW-SFHVURJKSA-N 0 3 346.515 3.691 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(F)(F)CC2)c1[O-] ZINC000794686347 1137226411 /nfs/dbraw/zinc/22/64/11/1137226411.db2.gz OMUMCWNNPWTKBG-UHFFFAOYSA-N 0 3 335.350 3.563 20 10 EHCDHN CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794796241 1137250973 /nfs/dbraw/zinc/25/09/73/1137250973.db2.gz WNWLILIIORKIMQ-NUJGCVRESA-N 0 3 334.504 3.629 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(C)cc1[O-] ZINC000794796261 1137251001 /nfs/dbraw/zinc/25/10/01/1137251001.db2.gz XCRLVWABRVZXEH-GOSISDBHSA-N 0 3 326.440 3.643 20 10 EHCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1[O-] ZINC000794802431 1137252078 /nfs/dbraw/zinc/25/20/78/1137252078.db2.gz FNSJRVURCVXSFZ-KRWDZBQOSA-N 0 3 346.858 3.825 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812083 1137264087 /nfs/dbraw/zinc/26/40/87/1137264087.db2.gz ZWCGJKVOHMYGMN-RDJZCZTQSA-N 0 3 327.424 3.754 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000794818534 1137265432 /nfs/dbraw/zinc/26/54/32/1137265432.db2.gz XIPTYYJSUBIPCL-XYJFISCASA-N 0 3 348.487 3.998 20 10 EHCDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+]Cc1ccccc1[O-])C2 ZINC000865793740 1137312402 /nfs/dbraw/zinc/31/24/02/1137312402.db2.gz ZHBONCGLHHSGFW-ACHSLPGTSA-N 0 3 346.471 3.660 20 10 EHCDHN C[C@@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000866406797 1137352483 /nfs/dbraw/zinc/35/24/83/1137352483.db2.gz IINNVMPIYDIFOL-BMIGLBTASA-N 0 3 343.320 3.934 20 10 EHCDHN CN(C)c1ccc(CN2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000846916076 1137375146 /nfs/dbraw/zinc/37/51/46/1137375146.db2.gz BWXHBPQNRSTFCN-UHFFFAOYSA-N 0 3 345.874 3.844 20 10 EHCDHN CC[C@@H](NCc1cccc2c1OCCO2)c1ccc(N(C)C)cc1 ZINC000772985376 1137415637 /nfs/dbraw/zinc/41/56/37/1137415637.db2.gz ROKMOCOUMJTOSB-GOSISDBHSA-N 0 3 326.440 3.765 20 10 EHCDHN CCCOc1ccc(CNCc2cccnc2-n2ccnc2)cc1C ZINC000873012630 1137587984 /nfs/dbraw/zinc/58/79/84/1137587984.db2.gz LGGJQXCYFXHIMW-UHFFFAOYSA-N 0 3 336.439 3.654 20 10 EHCDHN CCCOc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1C ZINC000873072562 1137589428 /nfs/dbraw/zinc/58/94/28/1137589428.db2.gz XPANVOSTRYYTMI-QHCPKHFHSA-N 0 3 331.481 3.811 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c([O-])c1 ZINC000876937173 1137665710 /nfs/dbraw/zinc/66/57/10/1137665710.db2.gz QTZDXYZBHCMSDU-CQSZACIVSA-N 0 3 339.439 3.835 20 10 EHCDHN CCOc1cccc(CNCc2c(C)cccc2O)c1OC(F)F ZINC000877085614 1137669814 /nfs/dbraw/zinc/66/98/14/1137669814.db2.gz VCSUYCRIMRXPFO-UHFFFAOYSA-N 0 3 337.366 3.991 20 10 EHCDHN Cc1ccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)c([O-])c1 ZINC000877145442 1137671501 /nfs/dbraw/zinc/67/15/01/1137671501.db2.gz HPLHKIBOXFTMCR-UHFFFAOYSA-N 0 3 327.428 3.520 20 10 EHCDHN COc1cc(Br)ccc1CNCc1ccc(C)cc1O ZINC000877426657 1137676060 /nfs/dbraw/zinc/67/60/60/1137676060.db2.gz OIRRNXSSFYFCCS-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000877460193 1137676921 /nfs/dbraw/zinc/67/69/21/1137676921.db2.gz RLXLYIJGNPNCBP-HNNXBMFYSA-N 0 3 334.460 3.580 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c([O-])c1 ZINC000877498063 1137678763 /nfs/dbraw/zinc/67/87/63/1137678763.db2.gz JPXYPDDKMFDQCP-KRWDZBQOSA-N 0 3 325.456 3.613 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c([O-])c1 ZINC000877498063 1137678764 /nfs/dbraw/zinc/67/87/64/1137678764.db2.gz JPXYPDDKMFDQCP-KRWDZBQOSA-N 0 3 325.456 3.613 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c([O-])c1 ZINC000877612444 1137683053 /nfs/dbraw/zinc/68/30/53/1137683053.db2.gz IYWLJSQQJAIEFB-WMLDXEAASA-N 0 3 341.455 3.662 20 10 EHCDHN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](N)c2ccccc2)cc1 ZINC000826020623 1137701345 /nfs/dbraw/zinc/70/13/45/1137701345.db2.gz VIGXAYUHJUAMJP-FQEVSTJZSA-N 0 3 339.483 3.581 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878326726 1137710927 /nfs/dbraw/zinc/71/09/27/1137710927.db2.gz UYTIHOUNPTZQHV-APWZRJJASA-N 0 3 348.450 3.734 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878326726 1137710928 /nfs/dbraw/zinc/71/09/28/1137710928.db2.gz UYTIHOUNPTZQHV-APWZRJJASA-N 0 3 348.450 3.734 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1[O-] ZINC000879647786 1137753480 /nfs/dbraw/zinc/75/34/80/1137753480.db2.gz LGCILKIYIXTOQQ-CQSZACIVSA-N 0 3 326.440 3.979 20 10 EHCDHN Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000879648801 1137753649 /nfs/dbraw/zinc/75/36/49/1137753649.db2.gz FDNHJUBONDDVSD-CVEARBPZSA-N 0 3 326.440 3.995 20 10 EHCDHN C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000879651492 1137753751 /nfs/dbraw/zinc/75/37/51/1137753751.db2.gz XZCXVARCONBQCY-STQMWFEESA-N 0 3 348.393 3.541 20 10 EHCDHN COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651234 1137753803 /nfs/dbraw/zinc/75/38/03/1137753803.db2.gz OACXAUWJYQZCMT-LBPRGKRZSA-N 0 3 348.830 3.652 20 10 EHCDHN CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879652101 1137753907 /nfs/dbraw/zinc/75/39/07/1137753907.db2.gz WGNDJKMNDBVCKF-VBKZILBWSA-N 0 3 344.430 3.695 20 10 EHCDHN C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879651896 1137753985 /nfs/dbraw/zinc/75/39/85/1137753985.db2.gz OKHRDZXKAJRRIG-HZSPNIEDSA-N 0 3 346.858 3.962 20 10 EHCDHN CCCN(CC(=O)Nc1cc(C)ccc1C)Cc1ccccc1O ZINC000130722969 1137841295 /nfs/dbraw/zinc/84/12/95/1137841295.db2.gz IYNDARJFACXYRW-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2ccnc(N3CCCC3)c2)cc1 ZINC000131390624 1137852076 /nfs/dbraw/zinc/85/20/76/1137852076.db2.gz YFASMAUXQAZZIQ-KRWDZBQOSA-N 0 3 338.499 3.989 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000119282999 1137939941 /nfs/dbraw/zinc/93/99/41/1137939941.db2.gz SGGKGZFNULJBJT-QGZVFWFLSA-N 0 3 338.451 3.578 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000119282999 1137939942 /nfs/dbraw/zinc/93/99/42/1137939942.db2.gz SGGKGZFNULJBJT-QGZVFWFLSA-N 0 3 338.451 3.578 20 10 EHCDHN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000090846445 1138213681 /nfs/dbraw/zinc/21/36/81/1138213681.db2.gz RZYMKWSMBFJRIK-HNNXBMFYSA-N 0 3 328.504 3.852 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc([S@](C)=O)cc1 ZINC000122940677 1138264459 /nfs/dbraw/zinc/26/44/59/1138264459.db2.gz ZGKACPBADNNJGI-IZHWHUGBSA-N 0 3 342.508 3.657 20 10 EHCDHN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183426577 1140037274 /nfs/dbraw/zinc/03/72/74/1140037274.db2.gz KAERLBNNDLWGSF-CABCVRRESA-N 0 3 326.440 3.771 20 10 EHCDHN C[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ccccc1[O-] ZINC000183624606 1140050287 /nfs/dbraw/zinc/05/02/87/1140050287.db2.gz ZMNWYANKTCVLEK-NSHDSACASA-N 0 3 326.318 3.536 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)c2nccs2)c1[O-] ZINC000184744878 1140118704 /nfs/dbraw/zinc/11/87/04/1140118704.db2.gz SELGPKAUIZLGNP-SNVBAGLBSA-N 0 3 326.849 3.746 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1[O-] ZINC000184744878 1140118708 /nfs/dbraw/zinc/11/87/08/1140118708.db2.gz SELGPKAUIZLGNP-SNVBAGLBSA-N 0 3 326.849 3.746 20 10 EHCDHN Cc1ccc(O)c([C@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185048895 1140133010 /nfs/dbraw/zinc/13/30/10/1140133010.db2.gz PLUYBTNQRPNBEM-QFBILLFUSA-N 0 3 338.451 3.715 20 10 EHCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cc(F)ccc3[O-])cn2)n1 ZINC000185058225 1140134752 /nfs/dbraw/zinc/13/47/52/1140134752.db2.gz MOQPIEWPZRXEEU-CQSZACIVSA-N 0 3 340.402 3.580 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(OC(C)C)c2)c([O-])c1 ZINC000185479058 1140152009 /nfs/dbraw/zinc/15/20/09/1140152009.db2.gz KJSCUZIUIOKKNT-YWZLYKJASA-N 0 3 329.440 3.872 20 10 EHCDHN C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000186020902 1140182779 /nfs/dbraw/zinc/18/27/79/1140182779.db2.gz KOYCJFHLIABASQ-CQSZACIVSA-N 0 3 342.414 3.505 20 10 EHCDHN CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187291126 1140249310 /nfs/dbraw/zinc/24/93/10/1140249310.db2.gz BHROCPAEJFRGKG-NWDGAFQWSA-N 0 3 330.266 3.522 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(Br)ccc1[O-] ZINC000037644083 522616126 /nfs/dbraw/zinc/61/61/26/522616126.db2.gz RHZLUOHKCQRDTP-WFASDCNBSA-N 0 3 341.293 3.537 20 10 EHCDHN COC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000183169150 1125464565 /nfs/dbraw/zinc/46/45/65/1125464565.db2.gz SZJHURUPQCSFAH-UHFFFAOYSA-N 0 3 327.424 3.630 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccccc1[O-] ZINC000274946519 1015676007 /nfs/dbraw/zinc/67/60/07/1015676007.db2.gz UMUXRHSNWKICNQ-SFHVURJKSA-N 0 3 344.430 3.609 20 10 EHCDHN C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1[O-] ZINC000183606166 1032211205 /nfs/dbraw/zinc/21/12/05/1032211205.db2.gz XDLYTQPNHXGSQP-GFCCVEGCSA-N 0 3 343.814 3.989 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3CN3CCCC3)c2c1 ZINC000172485477 1032736348 /nfs/dbraw/zinc/73/63/48/1032736348.db2.gz MIDGLJUJBSAMNY-KRWDZBQOSA-N 0 3 340.467 3.614 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3CN3CCCC3)c2c1 ZINC000172485477 1032736359 /nfs/dbraw/zinc/73/63/59/1032736359.db2.gz MIDGLJUJBSAMNY-KRWDZBQOSA-N 0 3 340.467 3.614 20 10 EHCDHN Cc1ccc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ncc2c1 ZINC001167422947 1019733139 /nfs/dbraw/zinc/73/31/39/1019733139.db2.gz HYWMGKKZGXAXIO-UHFFFAOYSA-N 0 3 346.478 3.907 20 10 EHCDHN CN1CCN(c2ccc(CNc3cc(C(C)(C)C)ccn3)cc2)CC1 ZINC001167437630 1020181702 /nfs/dbraw/zinc/18/17/02/1020181702.db2.gz WLCXEQOZEHRCNS-UHFFFAOYSA-N 0 3 338.499 3.743 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172772833 1032936696 /nfs/dbraw/zinc/93/66/96/1032936696.db2.gz XHODJHGLQVDQIR-SFHVURJKSA-N 0 3 340.423 3.630 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172772833 1032936710 /nfs/dbraw/zinc/93/67/10/1032936710.db2.gz XHODJHGLQVDQIR-SFHVURJKSA-N 0 3 340.423 3.630 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccccc1[O-] ZINC000156313538 1021227906 /nfs/dbraw/zinc/22/79/06/1021227906.db2.gz QZOCWCOOTQTPKQ-GOSISDBHSA-N 0 3 329.440 3.967 20 10 EHCDHN CCCOc1ccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c(O)c1 ZINC000277060392 1023728181 /nfs/dbraw/zinc/72/81/81/1023728181.db2.gz BRYZESOXSVVCNS-STQMWFEESA-N 0 3 332.448 3.663 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000760038490 1023984249 /nfs/dbraw/zinc/98/42/49/1023984249.db2.gz BLASJKPGYKNQLT-BOUXLOLZSA-N 0 3 329.415 3.657 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1F ZINC000091832585 1024775168 /nfs/dbraw/zinc/77/51/68/1024775168.db2.gz PGZXACQJFLNNQE-MRXNPFEDSA-N 0 3 346.450 3.743 20 10 EHCDHN COc1ccc(CN(C)Cc2cc3ccccc3o2)c(O)c1OC ZINC000892120309 1024847316 /nfs/dbraw/zinc/84/73/16/1024847316.db2.gz GLROAYLODZQYGT-UHFFFAOYSA-N 0 3 327.380 3.788 20 10 EHCDHN COc1ccc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)c(O)c1OC ZINC000892154422 1025052448 /nfs/dbraw/zinc/05/24/48/1025052448.db2.gz YEQMSGSSGBLLGD-UKRRQHHQSA-N 0 3 331.412 3.976 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000896261211 1025298641 /nfs/dbraw/zinc/29/86/41/1025298641.db2.gz AEJNZALQECLFAX-FTNCPSPGSA-N 0 3 327.877 3.818 20 10 EHCDHN COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000273347951 1027386793 /nfs/dbraw/zinc/38/67/93/1027386793.db2.gz BBYWIRJIYRCLHS-AWEZNQCLSA-N 0 3 328.412 3.772 20 10 EHCDHN COc1cccc(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1O ZINC000092187473 1030403408 /nfs/dbraw/zinc/40/34/08/1030403408.db2.gz PMNJOQISNXLWRS-UHFFFAOYSA-N 0 3 339.435 3.804 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528003561 1031569299 /nfs/dbraw/zinc/56/92/99/1031569299.db2.gz PSGNEXOKRJVMAC-SJCJKPOMSA-N 0 3 344.842 3.832 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC000376008504 1035107947 /nfs/dbraw/zinc/10/79/47/1035107947.db2.gz SAIWHKBDNFSXAC-BBWFWOEESA-N 0 3 330.472 3.532 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c([O-])c1 ZINC000185718945 1035524088 /nfs/dbraw/zinc/52/40/88/1035524088.db2.gz UCCFURWKKLTDHU-KGLIPLIRSA-N 0 3 331.847 3.679 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000310863750 1036665382 /nfs/dbraw/zinc/66/53/82/1036665382.db2.gz OLRXYVDDADSASK-INIZCTEOSA-N 0 3 346.471 3.616 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(=O)oc3cc(C)ccc23)c1 ZINC000182396690 1038593749 /nfs/dbraw/zinc/59/37/49/1038593749.db2.gz VZOFKSPUBJEIJA-ZDUSSCGKSA-N 0 3 339.391 3.666 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cc(F)ccc1[O-] ZINC000185174509 1039037842 /nfs/dbraw/zinc/03/78/42/1039037842.db2.gz QCIYAFCEXAZHIW-QWHCGFSZSA-N 0 3 334.460 3.690 20 10 EHCDHN CCCN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000728927197 1039503666 /nfs/dbraw/zinc/50/36/66/1039503666.db2.gz MAZJKAONMUWZFJ-MJGOQNOKSA-N 0 3 344.499 3.785 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CC(F)(F)F)c1[O-] ZINC000768526751 1133150166 /nfs/dbraw/zinc/15/01/66/1133150166.db2.gz RBXPOWKWQSKMJD-MRVPVSSYSA-N 0 3 326.156 3.894 20 10 EHCDHN C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccccc1[O-] ZINC000183534769 1125592576 /nfs/dbraw/zinc/59/25/76/1125592576.db2.gz OXNFEKGEOFDISE-CQSZACIVSA-N 0 3 325.387 3.610 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c([O-])c1 ZINC000185181901 1126804210 /nfs/dbraw/zinc/80/42/10/1126804210.db2.gz TVAFXQNQELILIX-QGZVFWFLSA-N 0 3 348.446 3.761 20 10 EHCDHN COc1ccc(COCCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185321325 1126867053 /nfs/dbraw/zinc/86/70/53/1126867053.db2.gz ADOIDBYNEZVMKU-MRXNPFEDSA-N 0 3 329.440 3.967 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000185337408 1126868918 /nfs/dbraw/zinc/86/89/18/1126868918.db2.gz HEAUSTMKLIGOFU-AEFFLSMTSA-N 0 3 342.458 3.747 20 10 EHCDHN Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000186123197 1127288859 /nfs/dbraw/zinc/28/88/59/1127288859.db2.gz SWKBNBCGPDXQEN-CQSZACIVSA-N 0 3 325.387 3.876 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)OC)c1[O-] ZINC000903329656 1128468758 /nfs/dbraw/zinc/46/87/58/1128468758.db2.gz CAXCQEYNLXKREJ-ZJUUUORDSA-N 0 3 346.265 3.627 20 10 EHCDHN CN(C)c1ccc(CN(C[C@@H]2COc3ccccc3O2)C2CC2)cc1 ZINC000917073955 1122470843 /nfs/dbraw/zinc/47/08/43/1122470843.db2.gz JVHAXJIFXOATPC-LJQANCHMSA-N 0 3 338.451 3.557 20 10 EHCDHN COC(=O)CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179646358 1123812763 /nfs/dbraw/zinc/81/27/63/1123812763.db2.gz XEJNRXRWVKOAHI-INIZCTEOSA-N 0 3 327.424 3.909 20 10 EHCDHN COC(=O)CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179646358 1123812769 /nfs/dbraw/zinc/81/27/69/1123812769.db2.gz XEJNRXRWVKOAHI-INIZCTEOSA-N 0 3 327.424 3.909 20 10 EHCDHN C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000186521687 1129393332 /nfs/dbraw/zinc/39/33/32/1129393332.db2.gz DWNUNWVWDGLTHE-CYBMUJFWSA-N 0 3 325.387 3.783 20 10 EHCDHN C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000321855555 1129988288 /nfs/dbraw/zinc/98/82/88/1129988288.db2.gz DFOUQCGLPPHCDR-KKUMJFAQSA-N 0 3 334.460 3.879 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@H](C)c1ccc(C)cc1[O-])COCc1ccccc1 ZINC000702789125 1130245511 /nfs/dbraw/zinc/24/55/11/1130245511.db2.gz CKNDVPGPNXXJLB-UTKZUKDTSA-N 0 3 343.467 3.973 20 10 EHCDHN CC[C@@H]1[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000704637722 1130472772 /nfs/dbraw/zinc/47/27/72/1130472772.db2.gz GNUIDDCFUHGZNU-VNQPRFMTSA-N 0 3 334.460 3.831 20 10 EHCDHN C[C@H](Nc1ccnc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000731989009 1130876122 /nfs/dbraw/zinc/87/61/22/1130876122.db2.gz MRODMQKDBQKJSG-INIZCTEOSA-N 0 3 333.435 3.666 20 10 EHCDHN O=[S@](CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000732204314 1130900281 /nfs/dbraw/zinc/90/02/81/1130900281.db2.gz ILGUPWQIIINVMV-XMMPIXPASA-N 0 3 343.492 3.945 20 10 EHCDHN O=[S@](CC[N@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000732204314 1130900284 /nfs/dbraw/zinc/90/02/84/1130900284.db2.gz ILGUPWQIIINVMV-XMMPIXPASA-N 0 3 343.492 3.945 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000733798336 1131083325 /nfs/dbraw/zinc/08/33/25/1131083325.db2.gz QJAXSDLBIALUPD-NRFANRHFSA-N 0 3 341.451 3.975 20 10 EHCDHN COC(=O)c1ccc(CNCc2cc(-c3ccccc3)ccc2O)o1 ZINC000734160047 1131204965 /nfs/dbraw/zinc/20/49/65/1131204965.db2.gz LBMOFPKUVMEGBT-UHFFFAOYSA-N 0 3 337.375 3.729 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000743870581 1131994604 /nfs/dbraw/zinc/99/46/04/1131994604.db2.gz YDKOQZBEHYKQHW-MRXNPFEDSA-N 0 3 326.440 3.940 20 10 EHCDHN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000121324774 1132586430 /nfs/dbraw/zinc/58/64/30/1132586430.db2.gz NQKTXJFLMYLXTD-UHFFFAOYSA-N 0 3 328.431 3.603 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000766607664 1132685855 /nfs/dbraw/zinc/68/58/55/1132685855.db2.gz IBPLRVZQQJOUEU-CYBMUJFWSA-N 0 3 340.393 3.752 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169782066 1132857693 /nfs/dbraw/zinc/85/76/93/1132857693.db2.gz JKYGQOBZRRKYRJ-IBGZPJMESA-N 0 3 338.451 3.519 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169782066 1132857703 /nfs/dbraw/zinc/85/77/03/1132857703.db2.gz JKYGQOBZRRKYRJ-IBGZPJMESA-N 0 3 338.451 3.519 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)cc1OC ZINC000768134862 1133101098 /nfs/dbraw/zinc/10/10/98/1133101098.db2.gz VSMHSFGQRQPJJS-UHFFFAOYSA-N 0 3 328.456 3.792 20 10 EHCDHN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000768246492 1133116556 /nfs/dbraw/zinc/11/65/56/1133116556.db2.gz XNQUDUVQRQFOJK-GOSISDBHSA-N 0 3 330.859 3.752 20 10 EHCDHN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000768246492 1133116559 /nfs/dbraw/zinc/11/65/59/1133116559.db2.gz XNQUDUVQRQFOJK-GOSISDBHSA-N 0 3 330.859 3.752 20 10 EHCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)Cc1cccc2ccccc21 ZINC000768439081 1133138146 /nfs/dbraw/zinc/13/81/46/1133138146.db2.gz GPRUJPOVKFVZGL-FQEVSTJZSA-N 0 3 335.403 3.603 20 10 EHCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)Cc1cccc2ccccc21 ZINC000768439081 1133138148 /nfs/dbraw/zinc/13/81/48/1133138148.db2.gz GPRUJPOVKFVZGL-FQEVSTJZSA-N 0 3 335.403 3.603 20 10 EHCDHN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000768442570 1133139133 /nfs/dbraw/zinc/13/91/33/1133139133.db2.gz LVDYWQPOQVTJLV-UYAOXDASSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000768442570 1133139136 /nfs/dbraw/zinc/13/91/36/1133139136.db2.gz LVDYWQPOQVTJLV-UYAOXDASSA-N 0 3 339.435 3.772 20 10 EHCDHN CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768847345 1133192231 /nfs/dbraw/zinc/19/22/31/1133192231.db2.gz UCAXUMBXQCMDQZ-LLVKDONJSA-N 0 3 328.250 3.785 20 10 EHCDHN CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768847345 1133192234 /nfs/dbraw/zinc/19/22/34/1133192234.db2.gz UCAXUMBXQCMDQZ-LLVKDONJSA-N 0 3 328.250 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000769148617 1133233379 /nfs/dbraw/zinc/23/33/79/1133233379.db2.gz PFTGLOIFUQRSJV-LLVKDONJSA-N 0 3 328.250 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000769148617 1133233385 /nfs/dbraw/zinc/23/33/85/1133233385.db2.gz PFTGLOIFUQRSJV-LLVKDONJSA-N 0 3 328.250 3.785 20 10 EHCDHN CCOc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000769425287 1133282993 /nfs/dbraw/zinc/28/29/93/1133282993.db2.gz PYHRGPMXYQEKEU-HXUWFJFHSA-N 0 3 341.451 3.663 20 10 EHCDHN CCOc1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000769425287 1133282998 /nfs/dbraw/zinc/28/29/98/1133282998.db2.gz PYHRGPMXYQEKEU-HXUWFJFHSA-N 0 3 341.451 3.663 20 10 EHCDHN COc1ccc(C[C@@H]2CCC[N@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000769396169 1133286546 /nfs/dbraw/zinc/28/65/46/1133286546.db2.gz XDTVRRHIMFXOSU-KRWDZBQOSA-N 0 3 341.451 3.864 20 10 EHCDHN COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000769396169 1133286550 /nfs/dbraw/zinc/28/65/50/1133286550.db2.gz XDTVRRHIMFXOSU-KRWDZBQOSA-N 0 3 341.451 3.864 20 10 EHCDHN COC(=O)c1c(CN2C[C@H](C)CC(C)(C)C2)c2cc(F)ccc2n1C ZINC001180322010 1133361091 /nfs/dbraw/zinc/36/10/91/1133361091.db2.gz CKSVWTXNKUZJKG-CYBMUJFWSA-N 0 3 346.446 3.972 20 10 EHCDHN COc1ccccc1[C@H](C[NH2+]Cc1c([O-])cccc1OC)OC(C)C ZINC000769932699 1133369067 /nfs/dbraw/zinc/36/90/67/1133369067.db2.gz IVEOWKUDUCYGCX-FQEVSTJZSA-N 0 3 345.439 3.665 20 10 EHCDHN [O-]c1c(C[NH+]2CCN(CCc3ccccc3)CC2)ccc2ccccc21 ZINC001180462623 1133378374 /nfs/dbraw/zinc/37/83/74/1133378374.db2.gz ROYGSPJNDPBASK-UHFFFAOYSA-N 0 3 346.474 3.906 20 10 EHCDHN CCOc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c([O-])c1 ZINC000770347017 1133418698 /nfs/dbraw/zinc/41/86/98/1133418698.db2.gz GAIRYTQQTAQISU-UHFFFAOYSA-N 0 3 349.858 3.829 20 10 EHCDHN CCOc1ccc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c([O-])c1 ZINC000770347017 1133418701 /nfs/dbraw/zinc/41/87/01/1133418701.db2.gz GAIRYTQQTAQISU-UHFFFAOYSA-N 0 3 349.858 3.829 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350938 1133419225 /nfs/dbraw/zinc/41/92/25/1133419225.db2.gz QRAMLNFVMSKUDN-XOBRGWDASA-N 0 3 327.424 3.615 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350938 1133419228 /nfs/dbraw/zinc/41/92/28/1133419228.db2.gz QRAMLNFVMSKUDN-XOBRGWDASA-N 0 3 327.424 3.615 20 10 EHCDHN CC(C)[C@H](CC[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000770504472 1133436324 /nfs/dbraw/zinc/43/63/24/1133436324.db2.gz GXYFZNZVRNFAKB-INIZCTEOSA-N 0 3 336.476 3.763 20 10 EHCDHN CC(C)[C@H](CC[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000770504472 1133436325 /nfs/dbraw/zinc/43/63/25/1133436325.db2.gz GXYFZNZVRNFAKB-INIZCTEOSA-N 0 3 336.476 3.763 20 10 EHCDHN Cc1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484935 1133687668 /nfs/dbraw/zinc/68/76/68/1133687668.db2.gz UBAWUHVPENQVAQ-CVEARBPZSA-N 0 3 325.456 3.739 20 10 EHCDHN C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000785567662 1133727693 /nfs/dbraw/zinc/72/76/93/1133727693.db2.gz HACLPGCUKNUSAV-JXFKEZNVSA-N 0 3 343.515 3.727 20 10 EHCDHN CCN(C/C=C\c1ccc(N(C)C)cc1)CCNC(=O)OC(C)(C)C ZINC001182910713 1133749199 /nfs/dbraw/zinc/74/91/99/1133749199.db2.gz PIWSNQVTFWNNRR-HJWRWDBZSA-N 0 3 347.503 3.612 20 10 EHCDHN COC(=O)C(C)(C)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000785793045 1133752346 /nfs/dbraw/zinc/75/23/46/1133752346.db2.gz IFVXHXCRYGTZMP-LJQANCHMSA-N 0 3 340.467 3.783 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1cc(F)ccc1[O-] ZINC000787029400 1133940068 /nfs/dbraw/zinc/94/00/68/1133940068.db2.gz XNIXMAWDOOFIJO-XXFAHNHDSA-N 0 3 327.758 3.708 20 10 EHCDHN Cc1cnccc1OC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000775201005 1134508991 /nfs/dbraw/zinc/50/89/91/1134508991.db2.gz AGNHXDIXBNYQSA-UHFFFAOYSA-N 0 3 332.831 3.792 20 10 EHCDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000792193495 1134666461 /nfs/dbraw/zinc/66/64/61/1134666461.db2.gz XJZKGJJTQFUYPN-IUODEOHRSA-N 0 3 327.852 3.691 20 10 EHCDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000792193495 1134666464 /nfs/dbraw/zinc/66/64/64/1134666464.db2.gz XJZKGJJTQFUYPN-IUODEOHRSA-N 0 3 327.852 3.691 20 10 EHCDHN C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775433767 1134789087 /nfs/dbraw/zinc/78/90/87/1134789087.db2.gz CUJZSZPRUKOHHD-HNNXBMFYSA-N 0 3 340.471 3.697 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000793324471 1134904484 /nfs/dbraw/zinc/90/44/84/1134904484.db2.gz ZYSZVBZERNNONY-LJQANCHMSA-N 0 3 341.451 3.612 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)c([O-])c1 ZINC000793385556 1134919940 /nfs/dbraw/zinc/91/99/40/1134919940.db2.gz BTWQSCLHUWMDNU-UHFFFAOYSA-N 0 3 337.366 3.909 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c([O-])c1 ZINC000793386482 1134920462 /nfs/dbraw/zinc/92/04/62/1134920462.db2.gz SIRUWPFCHGAIDS-UHFFFAOYSA-N 0 3 327.302 3.589 20 10 EHCDHN CCCOc1c(CNCc2ccc(OC)cc2O)cccc1OCC ZINC000793388125 1134920670 /nfs/dbraw/zinc/92/06/70/1134920670.db2.gz MNFFHFZUMHHPET-UHFFFAOYSA-N 0 3 345.439 3.878 20 10 EHCDHN CCCOc1c(C[NH2+]Cc2ccc(OC)cc2[O-])cccc1OCC ZINC000793388125 1134920675 /nfs/dbraw/zinc/92/06/75/1134920675.db2.gz MNFFHFZUMHHPET-UHFFFAOYSA-N 0 3 345.439 3.878 20 10 EHCDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793390840 1134922294 /nfs/dbraw/zinc/92/22/94/1134922294.db2.gz RYDSWLHTVTZMFP-INIZCTEOSA-N 0 3 345.439 3.529 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2c1c(F)ccc2[O-] ZINC000793576013 1134961753 /nfs/dbraw/zinc/96/17/53/1134961753.db2.gz XBYKZFVZGYMSKO-MEDUHNTESA-N 0 3 325.387 3.788 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1[O-] ZINC000808686062 1135711270 /nfs/dbraw/zinc/71/12/70/1135711270.db2.gz FTWFGKNBFGPNKX-LLVKDONJSA-N 0 3 328.840 3.529 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1[O-] ZINC000808708334 1135717558 /nfs/dbraw/zinc/71/75/58/1135717558.db2.gz KJXAWCZGDBFBSO-GFCCVEGCSA-N 0 3 331.847 3.915 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)c2c1c(F)ccc2[O-] ZINC000808727894 1135725962 /nfs/dbraw/zinc/72/59/62/1135725962.db2.gz KPXQTAQLZYVBDO-DGFSRKRXSA-N 0 3 331.362 3.812 20 10 EHCDHN CC[C@@H](CSC)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809767392 1135880033 /nfs/dbraw/zinc/88/00/33/1135880033.db2.gz JRVUBRWMIZWOJU-LBPRGKRZSA-N 0 3 348.306 3.737 20 10 EHCDHN C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809702334 1135870820 /nfs/dbraw/zinc/87/08/20/1135870820.db2.gz RVYCSZAYTYNNIJ-KBXCAEBGSA-N 0 3 329.465 3.812 20 10 EHCDHN CC[C@@H](CSC)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809767392 1135880031 /nfs/dbraw/zinc/88/00/31/1135880031.db2.gz JRVUBRWMIZWOJU-LBPRGKRZSA-N 0 3 348.306 3.737 20 10 EHCDHN CN1CCC([N@H+](Cc2ccccc2)Cc2cc(F)ccc2[O-])CC1 ZINC000809763657 1135888424 /nfs/dbraw/zinc/88/84/24/1135888424.db2.gz DHPXGEITQHPSKO-UHFFFAOYSA-N 0 3 328.431 3.628 20 10 EHCDHN CN1CCC([N@@H+](Cc2ccccc2)Cc2cc(F)ccc2[O-])CC1 ZINC000809763657 1135888425 /nfs/dbraw/zinc/88/84/25/1135888425.db2.gz DHPXGEITQHPSKO-UHFFFAOYSA-N 0 3 328.431 3.628 20 10 EHCDHN COc1cc(O)c(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000776012893 1135917680 /nfs/dbraw/zinc/91/76/80/1135917680.db2.gz KLYHYEGZIJUGGP-JQWIXIFHSA-N 0 3 333.350 3.572 20 10 EHCDHN CSc1ccc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000810134143 1135925854 /nfs/dbraw/zinc/92/58/54/1135925854.db2.gz QLNZSWPDWIFRNW-UHFFFAOYSA-N 0 3 334.510 3.596 20 10 EHCDHN COc1cccc(O)c1CNCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000776256432 1136112757 /nfs/dbraw/zinc/11/27/57/1136112757.db2.gz AVAUNHNAQLGKAE-UHFFFAOYSA-N 0 3 343.423 3.646 20 10 EHCDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000106856666 1136154366 /nfs/dbraw/zinc/15/43/66/1136154366.db2.gz YBDFGZAYJPTCMV-OAHLLOKOSA-N 0 3 342.439 3.644 20 10 EHCDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000106856666 1136154368 /nfs/dbraw/zinc/15/43/68/1136154368.db2.gz YBDFGZAYJPTCMV-OAHLLOKOSA-N 0 3 342.439 3.644 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850398173 1136248778 /nfs/dbraw/zinc/24/87/78/1136248778.db2.gz QKHGMMWEEKPAJR-OAHLLOKOSA-N 0 3 342.222 3.531 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccncc3Cl)C2)cc1 ZINC000850489167 1136270143 /nfs/dbraw/zinc/27/01/43/1136270143.db2.gz WBYSFQKOWXSIJE-ZIAGYGMSSA-N 0 3 331.847 3.673 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnc(Cl)c1 ZINC000850566212 1136287371 /nfs/dbraw/zinc/28/73/71/1136287371.db2.gz LZJLRNNICIJRON-AWEZNQCLSA-N 0 3 345.874 3.547 20 10 EHCDHN Cc1nc(C)c([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850567338 1136287593 /nfs/dbraw/zinc/28/75/93/1136287593.db2.gz ZZZHMVKZLFZJEJ-ZDUSSCGKSA-N 0 3 345.512 3.572 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850579984 1136291673 /nfs/dbraw/zinc/29/16/73/1136291673.db2.gz DZRWXKYMMWROQG-HOCLYGCPSA-N 0 3 325.330 3.584 20 10 EHCDHN C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1[O-] ZINC000109770159 1136340095 /nfs/dbraw/zinc/34/00/95/1136340095.db2.gz UEOJRWVHUBOCLR-UHFFFAOYSA-N 0 3 329.425 3.568 20 10 EHCDHN C[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1[O-] ZINC000109770159 1136340098 /nfs/dbraw/zinc/34/00/98/1136340098.db2.gz UEOJRWVHUBOCLR-UHFFFAOYSA-N 0 3 329.425 3.568 20 10 EHCDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853094007 1136508423 /nfs/dbraw/zinc/50/84/23/1136508423.db2.gz WDYPPXNLWOJXLL-ZDUSSCGKSA-N 0 3 343.298 3.911 20 10 EHCDHN Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853522004 1136540126 /nfs/dbraw/zinc/54/01/26/1136540126.db2.gz ICMCWSYPCNWIGO-MJGOQNOKSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853522004 1136540129 /nfs/dbraw/zinc/54/01/29/1136540129.db2.gz ICMCWSYPCNWIGO-MJGOQNOKSA-N 0 3 339.435 3.772 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccc(SC)cc1)N(C)C ZINC000815166655 1136565663 /nfs/dbraw/zinc/56/56/63/1136565663.db2.gz RNFQIHBESDOOPA-QGZVFWFLSA-N 0 3 346.496 3.515 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000815576856 1136613178 /nfs/dbraw/zinc/61/31/78/1136613178.db2.gz ZRPWBTXMRMRFMV-RXVVDRJESA-N 0 3 336.479 3.892 20 10 EHCDHN C[C@H]1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815585701 1136614789 /nfs/dbraw/zinc/61/47/89/1136614789.db2.gz PRXGACQXFYWCDV-RXVVDRJESA-N 0 3 338.495 3.998 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000815596030 1136616344 /nfs/dbraw/zinc/61/63/44/1136616344.db2.gz IOKSVEFMHMHIJX-GHTZIAJQSA-N 0 3 347.462 3.936 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCCC1(O)CCC1 ZINC000817415180 1136806109 /nfs/dbraw/zinc/80/61/09/1136806109.db2.gz UACXQCFZWBQCNW-UHFFFAOYSA-N 0 3 341.451 3.756 20 10 EHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(C)n1 ZINC000817588741 1136827210 /nfs/dbraw/zinc/82/72/10/1136827210.db2.gz JRSFYNGEDOVWHL-INIZCTEOSA-N 0 3 343.446 3.525 20 10 EHCDHN CC[C@H](NCc1c(C(F)(F)F)cnn1C)c1ccc(N(C)C)cc1 ZINC000858453586 1136969659 /nfs/dbraw/zinc/96/96/59/1136969659.db2.gz VVPZDWJZPUKMGF-HNNXBMFYSA-N 0 3 340.393 3.746 20 10 EHCDHN CC(=O)N(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000858495364 1136973245 /nfs/dbraw/zinc/97/32/45/1136973245.db2.gz CCMIRQVBQGIOSM-YVEFUNNKSA-N 0 3 342.414 3.852 20 10 EHCDHN Cc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1F ZINC000823730115 1137112325 /nfs/dbraw/zinc/11/23/25/1137112325.db2.gz QUHHHCFLCYJNOA-MRXNPFEDSA-N 0 3 328.431 3.822 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000862367933 1137140680 /nfs/dbraw/zinc/14/06/80/1137140680.db2.gz ADSPJUGSGXPAIU-NSHDSACASA-N 0 3 336.382 3.596 20 10 EHCDHN COC[C@]1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000824582978 1137145498 /nfs/dbraw/zinc/14/54/98/1137145498.db2.gz GHPHISBXGKNYNR-MRXNPFEDSA-N 0 3 330.394 3.630 20 10 EHCDHN CCOc1cccc(CN(C)Cc2cc(OC)c(OC)cc2C)c1O ZINC000120099415 1137233782 /nfs/dbraw/zinc/23/37/82/1137233782.db2.gz GSUUSDDQIHVIBE-UHFFFAOYSA-N 0 3 345.439 3.749 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794801612 1137252412 /nfs/dbraw/zinc/25/24/12/1137252412.db2.gz AIARASDREUQAON-IBGZPJMESA-N 0 3 340.467 3.778 20 10 EHCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)c(F)c1)c1ccc(C)cc1[O-] ZINC000794793754 1137252986 /nfs/dbraw/zinc/25/29/86/1137252986.db2.gz BVLYANAVXKTYTA-GOSISDBHSA-N 0 3 344.430 3.619 20 10 EHCDHN CC[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(C)cc1[O-] ZINC000794810450 1137259456 /nfs/dbraw/zinc/25/94/56/1137259456.db2.gz LGFBKKXYRIDTJK-LJQANCHMSA-N 0 3 344.499 3.923 20 10 EHCDHN CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794811163 1137260955 /nfs/dbraw/zinc/26/09/55/1137260955.db2.gz VLTOYPFMLWMPDT-MRXNPFEDSA-N 0 3 336.476 3.998 20 10 EHCDHN COc1ccc(CNCc2ccc(C3(C)OCCO3)cc2)cc1C ZINC000865669929 1137303284 /nfs/dbraw/zinc/30/32/84/1137303284.db2.gz NLHQIDLQHAXBBS-UHFFFAOYSA-N 0 3 327.424 3.513 20 10 EHCDHN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000846003993 1137324612 /nfs/dbraw/zinc/32/46/12/1137324612.db2.gz XHJOAEXTPHXAIP-JXFKEZNVSA-N 0 3 346.471 3.519 20 10 EHCDHN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000846003993 1137324613 /nfs/dbraw/zinc/32/46/13/1137324613.db2.gz XHJOAEXTPHXAIP-JXFKEZNVSA-N 0 3 346.471 3.519 20 10 EHCDHN COc1cccc([C@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)c1O ZINC000846148447 1137336033 /nfs/dbraw/zinc/33/60/33/1137336033.db2.gz ZNSNFBSRJBYXFO-NWDGAFQWSA-N 0 3 349.402 3.969 20 10 EHCDHN COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846138529 1137338412 /nfs/dbraw/zinc/33/84/12/1137338412.db2.gz VXESTNDCKQOJSR-QWHCGFSZSA-N 0 3 331.412 3.830 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccnc(F)c2)c1[O-] ZINC000866473135 1137357755 /nfs/dbraw/zinc/35/77/55/1137357755.db2.gz KWXVNSFIAWSRGF-SNVBAGLBSA-N 0 3 339.208 3.848 20 10 EHCDHN Cc1c([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000122445991 1137439519 /nfs/dbraw/zinc/43/95/19/1137439519.db2.gz NRLSWKQRBLUSPX-CYBMUJFWSA-N 0 3 331.391 3.959 20 10 EHCDHN C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000773026680 1137460204 /nfs/dbraw/zinc/46/02/04/1137460204.db2.gz OQRIQAZHFPHDDW-FTRWYGJKSA-N 0 3 337.467 3.597 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000876678728 1137658952 /nfs/dbraw/zinc/65/89/52/1137658952.db2.gz PNNMXZSKAIQLBK-UHFFFAOYSA-N 0 3 342.414 3.690 20 10 EHCDHN CCOC(=O)c1cc(CN(Cc2ccccc2O)C2CCCC2)on1 ZINC000876722581 1137659751 /nfs/dbraw/zinc/65/97/51/1137659751.db2.gz ZDHCFDCBGHPVAQ-UHFFFAOYSA-N 0 3 344.411 3.502 20 10 EHCDHN CCOC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC000876722581 1137659752 /nfs/dbraw/zinc/65/97/52/1137659752.db2.gz ZDHCFDCBGHPVAQ-UHFFFAOYSA-N 0 3 344.411 3.502 20 10 EHCDHN CCOC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC000876722581 1137659753 /nfs/dbraw/zinc/65/97/53/1137659753.db2.gz ZDHCFDCBGHPVAQ-UHFFFAOYSA-N 0 3 344.411 3.502 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c([O-])c1 ZINC000876972840 1137666751 /nfs/dbraw/zinc/66/67/51/1137666751.db2.gz PWYAADTUXYKKMP-CQSZACIVSA-N 0 3 326.396 3.508 20 10 EHCDHN Cc1ccc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c([O-])c1 ZINC000877066068 1137669336 /nfs/dbraw/zinc/66/93/36/1137669336.db2.gz BTVOVYPUBRRVHT-UHFFFAOYSA-N 0 3 339.483 3.525 20 10 EHCDHN Cc1ccc(CNC2(c3ccc(F)cc3F)CCOCC2)c(O)c1 ZINC000877123634 1137670724 /nfs/dbraw/zinc/67/07/24/1137670724.db2.gz MZTKLSYLHSFTHY-UHFFFAOYSA-N 0 3 333.378 3.774 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000877617017 1137683181 /nfs/dbraw/zinc/68/31/81/1137683181.db2.gz QQOQUGNOOGGTAS-HOCLYGCPSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000877617017 1137683182 /nfs/dbraw/zinc/68/31/82/1137683182.db2.gz QQOQUGNOOGGTAS-HOCLYGCPSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1cccc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1O ZINC000877664882 1137684790 /nfs/dbraw/zinc/68/47/90/1137684790.db2.gz XEWAFMMOOHFIOJ-HNNXBMFYSA-N 0 3 325.330 3.543 20 10 EHCDHN C[C@H]1C[C@@H](C[N@@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703148 1137686516 /nfs/dbraw/zinc/68/65/16/1137686516.db2.gz TWSOZQUYTYGKMX-GJZGRUSLSA-N 0 3 346.471 3.743 20 10 EHCDHN C[C@H]1C[C@@H](C[N@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703148 1137686517 /nfs/dbraw/zinc/68/65/17/1137686517.db2.gz TWSOZQUYTYGKMX-GJZGRUSLSA-N 0 3 346.471 3.743 20 10 EHCDHN CCOc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC(=O)CC ZINC000877755985 1137688112 /nfs/dbraw/zinc/68/81/12/1137688112.db2.gz WQKWFTHKPPPUSM-CQSZACIVSA-N 0 3 343.423 3.957 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC000877824514 1137692194 /nfs/dbraw/zinc/69/21/94/1137692194.db2.gz IAKGTCNQNXXHMP-UAGQMJEPSA-N 0 3 346.471 3.578 20 10 EHCDHN CCC[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879651613 1137753895 /nfs/dbraw/zinc/75/38/95/1137753895.db2.gz DBPILAQPBYNFAS-YJBOKZPZSA-N 0 3 326.440 3.700 20 10 EHCDHN CCOc1ccc(C[NH2+]Cc2cc(C3CC3)ccc2OC)c([O-])c1 ZINC000883258846 1137851115 /nfs/dbraw/zinc/85/11/15/1137851115.db2.gz RBHBWBSLTDWKCS-UHFFFAOYSA-N 0 3 327.424 3.967 20 10 EHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000119399187 1137941338 /nfs/dbraw/zinc/94/13/38/1137941338.db2.gz GHFJWTWJOGVDDE-OAHLLOKOSA-N 0 3 346.421 3.961 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cncc(C(=O)OC)c2)cc1 ZINC000886507788 1138086006 /nfs/dbraw/zinc/08/60/06/1138086006.db2.gz YKYBFXYCUPJAFF-HNNXBMFYSA-N 0 3 341.455 3.565 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1[O-] ZINC000886766885 1138135993 /nfs/dbraw/zinc/13/59/93/1138135993.db2.gz UEERWTVTDIMWEM-ATZCPQFDSA-N 0 3 339.863 3.731 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c([O-])c1 ZINC000092812794 1138232074 /nfs/dbraw/zinc/23/20/74/1138232074.db2.gz IRIRSAMKDPIUHS-MRXNPFEDSA-N 0 3 341.455 3.510 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c([O-])c1 ZINC000092812794 1138232076 /nfs/dbraw/zinc/23/20/76/1138232076.db2.gz IRIRSAMKDPIUHS-MRXNPFEDSA-N 0 3 341.455 3.510 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1 ZINC000151544387 1139042241 /nfs/dbraw/zinc/04/22/41/1139042241.db2.gz RGTPADNCXGDRER-AWEZNQCLSA-N 0 3 346.421 3.777 20 10 EHCDHN C[C@H](N[C@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000152245423 1139080830 /nfs/dbraw/zinc/08/08/30/1139080830.db2.gz BSGWBGNZJCWZOF-KSSFIOAISA-N 0 3 344.430 3.984 20 10 EHCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177974971 1139659821 /nfs/dbraw/zinc/65/98/21/1139659821.db2.gz VZDGVZKQLFNECR-UPCLLVRISA-N 0 3 342.508 3.875 20 10 EHCDHN COc1cc(Cl)cc(CN2CCC(OCC(C)C)CC2)c1O ZINC000184682862 1140114691 /nfs/dbraw/zinc/11/46/91/1140114691.db2.gz LNRLNPKFUUCSGC-UHFFFAOYSA-N 0 3 327.852 3.691 20 10 EHCDHN CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185048734 1140133062 /nfs/dbraw/zinc/13/30/62/1140133062.db2.gz MKWVTVVYTFJENK-CYBMUJFWSA-N 0 3 330.403 3.522 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000185160117 1140138393 /nfs/dbraw/zinc/13/83/93/1140138393.db2.gz XIPHEARHAJYNDS-CHWSQXEVSA-N 0 3 344.386 3.900 20 10 EHCDHN CC[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000268755736 1140983574 /nfs/dbraw/zinc/98/35/74/1140983574.db2.gz LOPNIFGDRKNSLU-FQEVSTJZSA-N 0 3 339.483 3.695 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(F)c1 ZINC000268805328 1140995621 /nfs/dbraw/zinc/99/56/21/1140995621.db2.gz CGHUIPKGNDTBLQ-INIZCTEOSA-N 0 3 342.458 3.885 20 10 EHCDHN [O-]c1ccccc1C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000271448859 1141369851 /nfs/dbraw/zinc/36/98/51/1141369851.db2.gz UFNFRRCQKYBPKM-IBGZPJMESA-N 0 3 331.843 3.991 20 10 EHCDHN Cc1cc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1N(C)C ZINC000271528537 1141388601 /nfs/dbraw/zinc/38/86/01/1141388601.db2.gz ROPQZRNSASUZPE-IQMFZBJNSA-N 0 3 330.497 3.649 20 10 EHCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)c1 ZINC000271565052 1141398263 /nfs/dbraw/zinc/39/82/63/1141398263.db2.gz YJHJAQOXBURHAD-OAHLLOKOSA-N 0 3 325.456 3.870 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccccc1[O-] ZINC000155084110 1016122075 /nfs/dbraw/zinc/12/20/75/1016122075.db2.gz XBSSIFUGCYMRGW-IBGZPJMESA-N 0 3 338.451 3.756 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000275283334 1016295205 /nfs/dbraw/zinc/29/52/05/1016295205.db2.gz FJKGSKNSRWYOGC-GMXVVIOVSA-N 0 3 328.250 3.681 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)CCOCC2)c1[O-] ZINC000275291586 1016323541 /nfs/dbraw/zinc/32/35/41/1016323541.db2.gz GQGUQGXSYNFVCB-LBPRGKRZSA-N 0 3 342.277 3.930 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1[O-] ZINC000275355728 1016543786 /nfs/dbraw/zinc/54/37/86/1016543786.db2.gz RPLNJTLWHZUGDU-SDDRHHMPSA-N 0 3 328.250 3.539 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c([O-])c1 ZINC000185134411 1032354280 /nfs/dbraw/zinc/35/42/80/1032354280.db2.gz ZVRVJICOJZOPJF-CQSZACIVSA-N 0 3 325.387 3.876 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000155514237 1018098557 /nfs/dbraw/zinc/09/85/57/1018098557.db2.gz DYLFJYFBKWXSAT-FUHWJXTLSA-N 0 3 340.467 3.968 20 10 EHCDHN COc1cc(C)cc(CNCc2csc(Br)c2)c1O ZINC000894173959 1019050160 /nfs/dbraw/zinc/05/01/60/1019050160.db2.gz MKVANWHKLCDDER-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN CC(C)c1occc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249569 1019101267 /nfs/dbraw/zinc/10/12/67/1019101267.db2.gz UUCQDFKEJYRUOG-SFHVURJKSA-N 0 3 343.471 3.502 20 10 EHCDHN COc1cc(C)cc(CN[C@@H]2CCOc3c(Cl)cccc32)c1O ZINC000894201100 1019129551 /nfs/dbraw/zinc/12/95/51/1019129551.db2.gz VRMNSGSXRTZILW-OAHLLOKOSA-N 0 3 333.815 3.976 20 10 EHCDHN NC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cc1 ZINC000729267043 1019254971 /nfs/dbraw/zinc/25/49/71/1019254971.db2.gz WQXQTDUZIAXZLI-UHFFFAOYSA-N 0 3 338.451 3.826 20 10 EHCDHN NC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cc1 ZINC000729267043 1019254981 /nfs/dbraw/zinc/25/49/81/1019254981.db2.gz WQXQTDUZIAXZLI-UHFFFAOYSA-N 0 3 338.451 3.826 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(C)cc1[O-] ZINC000280108290 1020090176 /nfs/dbraw/zinc/09/01/76/1020090176.db2.gz NLWBZSIPMXNRMT-LJQANCHMSA-N 0 3 336.439 3.581 20 10 EHCDHN CC[C@H](NCc1cccnc1OCC(F)F)c1ccc(C)cc1O ZINC000280212610 1020183013 /nfs/dbraw/zinc/18/30/13/1020183013.db2.gz UEPPSNFSWYQQDH-HNNXBMFYSA-N 0 3 336.382 3.980 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccccc1[O-] ZINC000366671992 1021904066 /nfs/dbraw/zinc/90/40/66/1021904066.db2.gz KJIAFARLFHRONJ-RYRKJORJSA-N 0 3 330.472 3.614 20 10 EHCDHN CCCOc1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000093114652 1023453320 /nfs/dbraw/zinc/45/33/20/1023453320.db2.gz GEXQOCJOWVPDRK-KRWDZBQOSA-N 0 3 335.831 3.658 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000093114652 1023453326 /nfs/dbraw/zinc/45/33/26/1023453326.db2.gz GEXQOCJOWVPDRK-KRWDZBQOSA-N 0 3 335.831 3.658 20 10 EHCDHN CN(Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1O)OCO2 ZINC000054547726 1033153474 /nfs/dbraw/zinc/15/34/74/1033153474.db2.gz CLNUOZILNOMUAN-UHFFFAOYSA-N 0 3 339.313 3.772 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1[O-] ZINC000896918457 1026011673 /nfs/dbraw/zinc/01/16/73/1026011673.db2.gz PNFOHTRQBPSHRE-AWEZNQCLSA-N 0 3 325.836 3.636 20 10 EHCDHN Cc1ccc2nccc(NCc3ccc(N4CCOCC4)cc3)c2c1 ZINC000302166066 1027077319 /nfs/dbraw/zinc/07/73/19/1027077319.db2.gz RIUJABZRUBWEFR-UHFFFAOYSA-N 0 3 333.435 3.992 20 10 EHCDHN C[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273124696 1027278800 /nfs/dbraw/zinc/27/88/00/1027278800.db2.gz AIMLESYFNDUOBT-SJLPKXTDSA-N 0 3 341.451 3.876 20 10 EHCDHN CC(C)c1nc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000273494808 1027457910 /nfs/dbraw/zinc/45/79/10/1027457910.db2.gz OZCFWYVZSIMGLT-CHWSQXEVSA-N 0 3 328.460 3.924 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1 ZINC000161850046 1028340773 /nfs/dbraw/zinc/34/07/73/1028340773.db2.gz ONSIIRYVWBQAPP-OAHLLOKOSA-N 0 3 326.440 3.765 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc([S@@](C)=O)cc1 ZINC000122941006 1028778573 /nfs/dbraw/zinc/77/85/73/1028778573.db2.gz ZGKACPBADNNJGI-OWJWWREXSA-N 0 3 342.508 3.657 20 10 EHCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000382464939 1028968404 /nfs/dbraw/zinc/96/84/04/1028968404.db2.gz ZSJAHPJMOPQDKB-FVQBIDKESA-N 0 3 346.471 3.663 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000271785339 1029169822 /nfs/dbraw/zinc/16/98/22/1029169822.db2.gz FNNJRSDZFIHNQH-YTEVENLXSA-N 0 3 337.872 3.942 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000156340300 1029806544 /nfs/dbraw/zinc/80/65/44/1029806544.db2.gz XIRNGMXSCRWHSI-XJKSGUPXSA-N 0 3 331.847 3.760 20 10 EHCDHN Cc1nc2ccccn2c1CNCc1ccc(N2CCCCC2)cc1 ZINC000898279193 1033423870 /nfs/dbraw/zinc/42/38/70/1033423870.db2.gz VRGGZWIOZLWUTN-UHFFFAOYSA-N 0 3 334.467 3.923 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1[O-] ZINC000761201910 1034421126 /nfs/dbraw/zinc/42/11/26/1034421126.db2.gz IMXJOCOJTSVKFK-ZFWWWQNUSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1[O-] ZINC000761201910 1034421131 /nfs/dbraw/zinc/42/11/31/1034421131.db2.gz IMXJOCOJTSVKFK-ZFWWWQNUSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(CN2CCS[C@H]3CCCC[C@@H]32)c1O ZINC000761201910 1034421137 /nfs/dbraw/zinc/42/11/37/1034421137.db2.gz IMXJOCOJTSVKFK-ZFWWWQNUSA-N 0 3 327.877 3.914 20 10 EHCDHN Cc1cc(C)cc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000065932375 1034964841 /nfs/dbraw/zinc/96/48/41/1034964841.db2.gz KDGXOKYCPSIUOM-UHFFFAOYSA-N 0 3 328.431 3.569 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121102009 1037954049 /nfs/dbraw/zinc/95/40/49/1037954049.db2.gz VLECEKBOIMIRTB-GDBMZVCRSA-N 0 3 334.460 3.690 20 10 EHCDHN COc1cc(Cl)cc(CN2CCC(c3nccc(C)n3)CC2)c1O ZINC000363915968 1038915864 /nfs/dbraw/zinc/91/58/64/1038915864.db2.gz CIDXMHQTHILJMA-UHFFFAOYSA-N 0 3 347.846 3.532 20 10 EHCDHN COc1ccc(CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185147583 1039029927 /nfs/dbraw/zinc/02/99/27/1039029927.db2.gz OMPZHEUEJNUUHX-ZDUSSCGKSA-N 0 3 333.403 3.832 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cc(OC)c(O)c(OC)c2)cc1 ZINC000236925280 1039279776 /nfs/dbraw/zinc/27/97/76/1039279776.db2.gz PFEVFRUBHGFBPB-UHFFFAOYSA-N 0 3 344.455 3.545 20 10 EHCDHN Cc1cc(CC[NH2+]Cc2nc(C)ccc2[O-])c(C)n1-c1ccccc1 ZINC000728775177 1039843949 /nfs/dbraw/zinc/84/39/49/1039843949.db2.gz TYGOIMVKZVPIPR-UHFFFAOYSA-N 0 3 335.451 3.835 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000925774821 1042874668 /nfs/dbraw/zinc/87/46/68/1042874668.db2.gz CSLFJCNPZSNLLY-DTWKUNHWSA-N 0 3 339.213 3.594 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185456030 1126904183 /nfs/dbraw/zinc/90/41/83/1126904183.db2.gz YCCGBDBDIUYBOY-OCCSQVGLSA-N 0 3 338.423 3.581 20 10 EHCDHN CC(C)C(=O)Nc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921505824 1127106711 /nfs/dbraw/zinc/10/67/11/1127106711.db2.gz BOVVYNIPGBHBMO-UHFFFAOYSA-N 0 3 338.451 3.896 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000186003524 1127221780 /nfs/dbraw/zinc/22/17/80/1127221780.db2.gz LNTXGASABMOBBA-QFYYESIMSA-N 0 3 343.320 3.934 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)c2c1 ZINC000129159386 1120142191 /nfs/dbraw/zinc/14/21/91/1120142191.db2.gz AGZCBVWEZFWRJR-FOIQADDNSA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)c2c1 ZINC000129159386 1120142193 /nfs/dbraw/zinc/14/21/93/1120142193.db2.gz AGZCBVWEZFWRJR-FOIQADDNSA-N 0 3 327.424 3.555 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000763455821 1123611689 /nfs/dbraw/zinc/61/16/89/1123611689.db2.gz VYDPMTVZRWQNLQ-HKUYNNGSSA-N 0 3 349.833 3.749 20 10 EHCDHN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766002800 1129692883 /nfs/dbraw/zinc/69/28/83/1129692883.db2.gz RBSCUBAAWNXFEG-JXFKEZNVSA-N 0 3 337.467 3.599 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)c([O-])c1 ZINC000706400809 1130571251 /nfs/dbraw/zinc/57/12/51/1130571251.db2.gz MVVMCYDIRMVSFB-BQTBQCLESA-N 0 3 346.471 3.751 20 10 EHCDHN CCCN(CC(=O)N(C)C1CCC(C)CC1)Cc1ccccc1O ZINC000727831274 1130597835 /nfs/dbraw/zinc/59/78/35/1130597835.db2.gz SLFMMRWDUGWHGE-UHFFFAOYSA-N 0 3 332.488 3.641 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)c1ccnc2ccccc21 ZINC000731920850 1130861222 /nfs/dbraw/zinc/86/12/22/1130861222.db2.gz XRMUZOJLWURDTR-UHFFFAOYSA-N 0 3 333.435 3.708 20 10 EHCDHN Cc1ncc(/C=C/C(=O)N(CCN2CCCC2)c2ccccc2)s1 ZINC000739648783 1131508358 /nfs/dbraw/zinc/50/83/58/1131508358.db2.gz IVDIQKZRVIIJJM-MDZDMXLPSA-N 0 3 341.480 3.594 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1[O-] ZINC001172901216 1131883581 /nfs/dbraw/zinc/88/35/81/1131883581.db2.gz LEYXYPOLJIRRFQ-CZUORRHYSA-N 0 3 326.396 3.899 20 10 EHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OCC4CC4)CC3)c2c1 ZINC000743407308 1131917353 /nfs/dbraw/zinc/91/73/53/1131917353.db2.gz NZJCLNCXDBWILI-UHFFFAOYSA-N 0 3 341.451 3.945 20 10 EHCDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001173087232 1131966091 /nfs/dbraw/zinc/96/60/91/1131966091.db2.gz SFSMQBCSCNNDKC-NSHDSACASA-N 0 3 341.329 3.717 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1F ZINC001173189307 1131994811 /nfs/dbraw/zinc/99/48/11/1131994811.db2.gz OIDJAPCISPJKEW-RYUDHWBXSA-N 0 3 348.374 3.730 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1F ZINC001177226398 1133042829 /nfs/dbraw/zinc/04/28/29/1133042829.db2.gz QNURPWQJZKWUTG-QGZVFWFLSA-N 0 3 330.451 3.573 20 10 EHCDHN CN(C)c1ccc(/C=C\CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC001178124896 1133138214 /nfs/dbraw/zinc/13/82/14/1133138214.db2.gz PPGOARZOGDCZTQ-ARJAWSKDSA-N 0 3 336.435 3.773 20 10 EHCDHN CCN(Cc1ccc(Cl)s1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442582 1133139731 /nfs/dbraw/zinc/13/97/31/1133139731.db2.gz UASCPIOFJUIUMY-CQSZACIVSA-N 0 3 339.844 3.555 20 10 EHCDHN COc1cc(CN2CCSC[C@@H]2c2ccccc2)c(O)cc1C ZINC000768446299 1133140392 /nfs/dbraw/zinc/14/03/92/1133140392.db2.gz JHRKVWRRQXFKBI-QGZVFWFLSA-N 0 3 329.465 3.999 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCc1ccccc1F)C[C@H]1CCCO1 ZINC000768663062 1133168198 /nfs/dbraw/zinc/16/81/98/1133168198.db2.gz HTQRIALVDOPRIB-GOSISDBHSA-N 0 3 329.415 3.755 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccc1F)C[C@H]1CCCO1 ZINC000768663062 1133168200 /nfs/dbraw/zinc/16/82/00/1133168200.db2.gz HTQRIALVDOPRIB-GOSISDBHSA-N 0 3 329.415 3.755 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c([O-])c1 ZINC000769242887 1133244121 /nfs/dbraw/zinc/24/41/21/1133244121.db2.gz LYXRHKWGNPSCLW-FPOVZHCZSA-N 0 3 341.451 3.879 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c([O-])c1 ZINC000769242887 1133244127 /nfs/dbraw/zinc/24/41/27/1133244127.db2.gz LYXRHKWGNPSCLW-FPOVZHCZSA-N 0 3 341.451 3.879 20 10 EHCDHN Cc1cccc(C(=O)N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)c1 ZINC001179489941 1133255244 /nfs/dbraw/zinc/25/52/44/1133255244.db2.gz XEAZWWURINRLRJ-MRXNPFEDSA-N 0 3 338.451 3.656 20 10 EHCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769469959 1133297413 /nfs/dbraw/zinc/29/74/13/1133297413.db2.gz ILBGLEYKOYDTLH-LZQZEXGQSA-N 0 3 333.472 3.816 20 10 EHCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769469959 1133297419 /nfs/dbraw/zinc/29/74/19/1133297419.db2.gz ILBGLEYKOYDTLH-LZQZEXGQSA-N 0 3 333.472 3.816 20 10 EHCDHN COCCC(C)(C)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001180740565 1133409253 /nfs/dbraw/zinc/40/92/53/1133409253.db2.gz OGBPGIJOIXBGDD-UHFFFAOYSA-N 0 3 330.266 3.615 20 10 EHCDHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000771389393 1133551436 /nfs/dbraw/zinc/55/14/36/1133551436.db2.gz RKUWOASEGNXZQH-JKSUJKDBSA-N 0 3 343.446 3.778 20 10 EHCDHN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C12CCC2 ZINC001182249277 1133602088 /nfs/dbraw/zinc/60/20/88/1133602088.db2.gz FEQDYNUYKDKXNZ-UONOGXRCSA-N 0 3 340.261 3.510 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(OC)cc2)c([O-])c1 ZINC000771875902 1133605426 /nfs/dbraw/zinc/60/54/26/1133605426.db2.gz IWYIKPCZDOXSEM-XOBRGWDASA-N 0 3 345.439 3.665 20 10 EHCDHN CCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000774485874 1133688817 /nfs/dbraw/zinc/68/88/17/1133688817.db2.gz UZZPBKXVDPTVCX-DLBZAZTESA-N 0 3 339.483 3.845 20 10 EHCDHN COc1cc(CN2CCO[C@H](C(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC001183281929 1133783180 /nfs/dbraw/zinc/78/31/80/1133783180.db2.gz OLRICFJEWQMZJT-HNNXBMFYSA-N 0 3 343.414 3.554 20 10 EHCDHN CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183428588 1133804731 /nfs/dbraw/zinc/80/47/31/1133804731.db2.gz JYXACIDZXTUTEO-MAUKXSAKSA-N 0 3 329.440 3.610 20 10 EHCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000786583283 1133870276 /nfs/dbraw/zinc/87/02/76/1133870276.db2.gz QLLUQMBRTHSSKA-FRFSOERESA-N 0 3 329.415 3.581 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]2C)c1[O-] ZINC000798503647 1133907470 /nfs/dbraw/zinc/90/74/70/1133907470.db2.gz ORJZZVJAHBAGOT-WDEREUQCSA-N 0 3 328.250 3.689 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429316 1133940899 /nfs/dbraw/zinc/94/08/99/1133940899.db2.gz WCZCGRVEHTYCIE-JXFKEZNVSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429316 1133940903 /nfs/dbraw/zinc/94/09/03/1133940903.db2.gz WCZCGRVEHTYCIE-JXFKEZNVSA-N 0 3 346.471 3.580 20 10 EHCDHN CCC[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccccc1[O-] ZINC000787254394 1133979062 /nfs/dbraw/zinc/97/90/62/1133979062.db2.gz ZPVLTSJQQWUPJN-UHFFFAOYSA-N 0 3 341.320 3.818 20 10 EHCDHN CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccccc1[O-] ZINC000787254394 1133979065 /nfs/dbraw/zinc/97/90/65/1133979065.db2.gz ZPVLTSJQQWUPJN-UHFFFAOYSA-N 0 3 341.320 3.818 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)C2CCOCC2)c1[O-] ZINC000787333170 1133990786 /nfs/dbraw/zinc/99/07/86/1133990786.db2.gz RIACCYWZSZCQQI-UHFFFAOYSA-N 0 3 342.277 3.758 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788547836 1134140883 /nfs/dbraw/zinc/14/08/83/1134140883.db2.gz PEUXSRWNDGIHLN-AWEZNQCLSA-N 0 3 342.443 3.874 20 10 EHCDHN COc1cccc(O)c1CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000775131999 1134357687 /nfs/dbraw/zinc/35/76/87/1134357687.db2.gz NPCDFHWFGTUCAY-UHFFFAOYSA-N 0 3 347.842 3.538 20 10 EHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000790403087 1134416782 /nfs/dbraw/zinc/41/67/82/1134416782.db2.gz MNBJHZJGTUQNOL-TWOQFEAHSA-N 0 3 333.472 3.592 20 10 EHCDHN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000792184660 1134665578 /nfs/dbraw/zinc/66/55/78/1134665578.db2.gz HNQWFRPVSUKNCP-NRFANRHFSA-N 0 3 339.435 3.533 20 10 EHCDHN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1[O-] ZINC000792184660 1134665579 /nfs/dbraw/zinc/66/55/79/1134665579.db2.gz HNQWFRPVSUKNCP-NRFANRHFSA-N 0 3 339.435 3.533 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(OC(C)(C)C)n2)c1 ZINC000775376335 1134685442 /nfs/dbraw/zinc/68/54/42/1134685442.db2.gz TZKXNQBMVLQXTM-ZDUSSCGKSA-N 0 3 330.428 3.824 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC2(OC)CCC(C)CC2)c1[O-] ZINC000793290437 1134895548 /nfs/dbraw/zinc/89/55/48/1134895548.db2.gz HCQKNWLZBXUALR-UHFFFAOYSA-N 0 3 327.852 3.739 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)c([O-])c1 ZINC000793387569 1134920986 /nfs/dbraw/zinc/92/09/86/1134920986.db2.gz HNTUKQLKJOHCQX-UHFFFAOYSA-N 0 3 327.424 3.794 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)c([O-])c1 ZINC000793388113 1134921199 /nfs/dbraw/zinc/92/11/99/1134921199.db2.gz MGEKVMAKEQSTTC-UHFFFAOYSA-N 0 3 328.799 3.892 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)c2c1c(F)ccc2[O-] ZINC000793565230 1134958101 /nfs/dbraw/zinc/95/81/01/1134958101.db2.gz HCWDTHPLRYISND-BXKDBHETSA-N 0 3 338.329 3.866 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000793608026 1134968854 /nfs/dbraw/zinc/96/88/54/1134968854.db2.gz HIVHJARDPBFIJH-IRXDYDNUSA-N 0 3 342.405 3.915 20 10 EHCDHN CC[N@H+](CCc1ccccn1)Cc1cc(Br)cc(C)c1[O-] ZINC000775661914 1135437553 /nfs/dbraw/zinc/43/75/53/1135437553.db2.gz RUGGUHXKGYDUAD-UHFFFAOYSA-N 0 3 349.272 3.923 20 10 EHCDHN CC[N@@H+](CCc1ccccn1)Cc1cc(Br)cc(C)c1[O-] ZINC000775661914 1135437555 /nfs/dbraw/zinc/43/75/55/1135437555.db2.gz RUGGUHXKGYDUAD-UHFFFAOYSA-N 0 3 349.272 3.923 20 10 EHCDHN COc1cccc([C@H](C)N2CCN(Cc3cccc(C)c3O)CC2)c1 ZINC000775676693 1135503562 /nfs/dbraw/zinc/50/35/62/1135503562.db2.gz XUCWJHRHFVXRLD-KRWDZBQOSA-N 0 3 340.467 3.588 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000808453286 1135670160 /nfs/dbraw/zinc/67/01/60/1135670160.db2.gz CXNXLIWPHDFWKA-UGKGYDQZSA-N 0 3 347.414 3.643 20 10 EHCDHN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808682695 1135710936 /nfs/dbraw/zinc/71/09/36/1135710936.db2.gz XWHIATGUMXOVFP-CYBMUJFWSA-N 0 3 346.858 3.955 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000808685693 1135711619 /nfs/dbraw/zinc/71/16/19/1135711619.db2.gz KGLNKDWGDIBBMW-ZYHUDNBSSA-N 0 3 336.785 3.641 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000808672805 1135714315 /nfs/dbraw/zinc/71/43/15/1135714315.db2.gz GIWATHOKMSMJEB-KKUMJFAQSA-N 0 3 340.895 3.504 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000808675537 1135714511 /nfs/dbraw/zinc/71/45/11/1135714511.db2.gz KMTFWQMYFAMNMW-IAQYHMDHSA-N 0 3 331.847 3.661 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000808703366 1135716060 /nfs/dbraw/zinc/71/60/60/1135716060.db2.gz XGFUUWFXSULYEO-CXAGYDPISA-N 0 3 344.842 3.810 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c1[O-] ZINC000808708070 1135717147 /nfs/dbraw/zinc/71/71/47/1135717147.db2.gz GJDMHFSMXQKEDE-DEYYWGMASA-N 0 3 333.859 3.997 20 10 EHCDHN CCN(C)c1ccc(CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001197778333 1135736468 /nfs/dbraw/zinc/73/64/68/1135736468.db2.gz VMGDCODXPNQUHW-GOSISDBHSA-N 0 3 347.503 3.632 20 10 EHCDHN C[C@@H](NCC(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835435 1135794831 /nfs/dbraw/zinc/79/48/31/1135794831.db2.gz YSVCGYQQPVQOBY-CYBMUJFWSA-N 0 3 331.847 3.695 20 10 EHCDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])Oc1cc(F)cc(F)c1 ZINC000809689562 1135872008 /nfs/dbraw/zinc/87/20/08/1135872008.db2.gz QPNFBTRHRBJYPO-UHFFFAOYSA-N 0 3 325.330 3.757 20 10 EHCDHN COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809711028 1135875706 /nfs/dbraw/zinc/87/57/06/1135875706.db2.gz HNLTWNBIQGSDRI-MRXNPFEDSA-N 0 3 331.387 3.583 20 10 EHCDHN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809711028 1135875710 /nfs/dbraw/zinc/87/57/10/1135875710.db2.gz HNLTWNBIQGSDRI-MRXNPFEDSA-N 0 3 331.387 3.583 20 10 EHCDHN CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809723462 1135879077 /nfs/dbraw/zinc/87/90/77/1135879077.db2.gz HTRAYQRPFAXMCR-MRXNPFEDSA-N 0 3 334.460 3.662 20 10 EHCDHN CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809723462 1135879080 /nfs/dbraw/zinc/87/90/80/1135879080.db2.gz HTRAYQRPFAXMCR-MRXNPFEDSA-N 0 3 334.460 3.662 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1[O-] ZINC000809769579 1135880866 /nfs/dbraw/zinc/88/08/66/1135880866.db2.gz HUWCOMSYVQVBKI-KRWDZBQOSA-N 0 3 336.838 3.886 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@]3(C2)OCc2ccccc23)cc1F ZINC000776013352 1135917698 /nfs/dbraw/zinc/91/76/98/1135917698.db2.gz FZNCKGPQNDGXGZ-NRFANRHFSA-N 0 3 340.442 3.913 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CCc2ccc(O)cc2)c1[O-] ZINC000776086764 1135951799 /nfs/dbraw/zinc/95/17/99/1135951799.db2.gz MISQYRXWWNYTCK-UHFFFAOYSA-N 0 3 336.229 3.501 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000811519991 1136098191 /nfs/dbraw/zinc/09/81/91/1136098191.db2.gz IDGQIIRSFVOZAT-CQSZACIVSA-N 0 3 342.414 3.899 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000776250305 1136101825 /nfs/dbraw/zinc/10/18/25/1136101825.db2.gz GKVWIRYXTMRKCA-UHFFFAOYSA-N 0 3 331.799 3.862 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1cncc(Br)c1C ZINC000850137445 1136213562 /nfs/dbraw/zinc/21/35/62/1136213562.db2.gz PCARKXDMPAIHNX-UHFFFAOYSA-N 0 3 348.288 3.817 20 10 EHCDHN FC1(F)[C@@H]2CCCO[C@@]21CNCc1ccc(N2CCCCC2)cc1 ZINC000850377241 1136245270 /nfs/dbraw/zinc/24/52/70/1136245270.db2.gz CQKPNGVRDQAPDE-MSOLQXFVSA-N 0 3 336.426 3.581 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)c([O-])c1 ZINC000850395612 1136248175 /nfs/dbraw/zinc/24/81/75/1136248175.db2.gz VGIYXZAUYRAIOG-WOJBJXKFSA-N 0 3 329.440 3.639 20 10 EHCDHN OC1CCN(c2ccc(CNCc3ccc(Cl)c(F)c3)cc2)CC1 ZINC000850406115 1136251018 /nfs/dbraw/zinc/25/10/18/1136251018.db2.gz SHRWUZJVGJGNDT-UHFFFAOYSA-N 0 3 348.849 3.730 20 10 EHCDHN CCOc1ccc(CNCc2cc(F)ccc2OC(F)F)c(O)c1 ZINC000850408445 1136252054 /nfs/dbraw/zinc/25/20/54/1136252054.db2.gz NSDOBAXWAFMLND-UHFFFAOYSA-N 0 3 341.329 3.821 20 10 EHCDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850502848 1136273216 /nfs/dbraw/zinc/27/32/16/1136273216.db2.gz RWVBRUKTDPPMND-IARIHHJXSA-N 0 3 341.879 3.571 20 10 EHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000850505620 1136273246 /nfs/dbraw/zinc/27/32/46/1136273246.db2.gz UHSPCZHCSHWUKM-DZGCQCFKSA-N 0 3 329.362 3.859 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(OC3CC3)c2F)c1 ZINC000850521550 1136276389 /nfs/dbraw/zinc/27/63/89/1136276389.db2.gz WJODCCFUAQTQCU-GFCCVEGCSA-N 0 3 331.387 3.932 20 10 EHCDHN COc1ccc(-c2cc(CN[C@H]3CCc4cccc(O)c43)on2)cc1 ZINC000850526636 1136278429 /nfs/dbraw/zinc/27/84/29/1136278429.db2.gz RNFOBABINDBPGA-KRWDZBQOSA-N 0 3 336.391 3.833 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000850541358 1136281893 /nfs/dbraw/zinc/28/18/93/1136281893.db2.gz VMBPWSINEIQFPA-NZSAHSFTSA-N 0 3 327.472 3.886 20 10 EHCDHN COc1ccsc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850567616 1136288108 /nfs/dbraw/zinc/28/81/08/1136288108.db2.gz HHAPCXIWEMCGIW-CQSZACIVSA-N 0 3 346.496 3.569 20 10 EHCDHN CCOc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000813792488 1136363190 /nfs/dbraw/zinc/36/31/90/1136363190.db2.gz ZFKJQDINYQDXJM-UHFFFAOYSA-N 0 3 330.384 3.724 20 10 EHCDHN CCCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000216738562 1136385548 /nfs/dbraw/zinc/38/55/48/1136385548.db2.gz GSOWPYSPTDHSIG-WMZOPIPTSA-N 0 3 332.488 3.641 20 10 EHCDHN Cc1cc(O)c(CN[C@@H]2CCc3ccccc3-n3ccnc32)cc1C ZINC000853093474 1136508586 /nfs/dbraw/zinc/50/85/86/1136508586.db2.gz FODFTIPBXYWPTF-GOSISDBHSA-N 0 3 333.435 3.972 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2ccc(Cl)c(OC)c2)c([O-])c1 ZINC000815162181 1136559079 /nfs/dbraw/zinc/55/90/79/1136559079.db2.gz DLWCDLAKGLDNRK-UHFFFAOYSA-N 0 3 335.831 3.785 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])[C@H]1n1cccn1 ZINC000815661080 1136623280 /nfs/dbraw/zinc/62/32/80/1136623280.db2.gz SCZMCVDYAMQTRG-KKBVYLPWSA-N 0 3 349.862 3.620 20 10 EHCDHN C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc2ccccc2c1[O-] ZINC000816516043 1136729803 /nfs/dbraw/zinc/72/98/03/1136729803.db2.gz TTWRNCXHBVXJOB-DEOSSOPVSA-N 0 3 339.460 3.915 20 10 EHCDHN C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc2ccccc2c1[O-] ZINC000816516043 1136729804 /nfs/dbraw/zinc/72/98/04/1136729804.db2.gz TTWRNCXHBVXJOB-DEOSSOPVSA-N 0 3 339.460 3.915 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000816565909 1136737370 /nfs/dbraw/zinc/73/73/70/1136737370.db2.gz FXWDFJCGVQQKTB-STQMWFEESA-N 0 3 340.870 3.927 20 10 EHCDHN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816660565 1136745955 /nfs/dbraw/zinc/74/59/55/1136745955.db2.gz ISXROSPCYRFFNB-IIBYNOLFSA-N 0 3 341.451 3.612 20 10 EHCDHN CCOC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000113923146 1136757289 /nfs/dbraw/zinc/75/72/89/1136757289.db2.gz PBEGFMVZANPDAH-OAHLLOKOSA-N 0 3 329.440 3.803 20 10 EHCDHN CCOC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000113923146 1136757292 /nfs/dbraw/zinc/75/72/92/1136757292.db2.gz PBEGFMVZANPDAH-OAHLLOKOSA-N 0 3 329.440 3.803 20 10 EHCDHN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])CCO1 ZINC000817414742 1136806777 /nfs/dbraw/zinc/80/67/77/1136806777.db2.gz JKWBBWOHHYUQHA-UONOGXRCSA-N 0 3 328.250 3.510 20 10 EHCDHN C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954856 1136851259 /nfs/dbraw/zinc/85/12/59/1136851259.db2.gz LHKZVZTZDHHZBL-NHYWBVRUSA-N 0 3 335.245 3.505 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3cccnc3Cl)C2)cc1 ZINC000818344056 1136873129 /nfs/dbraw/zinc/87/31/29/1136873129.db2.gz IJVRQZIIRMOQLV-HUUCEWRRSA-N 0 3 345.874 3.921 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)c([O-])c1 ZINC000858329846 1136958920 /nfs/dbraw/zinc/95/89/20/1136958920.db2.gz GDXYNQLPXDYUPM-UHFFFAOYSA-N 0 3 325.330 3.795 20 10 EHCDHN CC1(C)C[C@@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000819901199 1136965813 /nfs/dbraw/zinc/96/58/13/1136965813.db2.gz VDHKWDOPKQEJSL-HKUYNNGSSA-N 0 3 339.435 3.791 20 10 EHCDHN CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000819901199 1136965814 /nfs/dbraw/zinc/96/58/14/1136965814.db2.gz VDHKWDOPKQEJSL-HKUYNNGSSA-N 0 3 339.435 3.791 20 10 EHCDHN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824554848 1137142669 /nfs/dbraw/zinc/14/26/69/1137142669.db2.gz NWEUAAINWYTWOD-GFCCVEGCSA-N 0 3 325.758 3.801 20 10 EHCDHN COC[C@]1(C)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824582574 1137145453 /nfs/dbraw/zinc/14/54/53/1137145453.db2.gz AQSRWGROILUKCC-OAQYLSRUSA-N 0 3 341.451 3.830 20 10 EHCDHN COC[C@]1(C)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824582574 1137145455 /nfs/dbraw/zinc/14/54/55/1137145455.db2.gz AQSRWGROILUKCC-OAQYLSRUSA-N 0 3 341.451 3.830 20 10 EHCDHN CCC[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824649624 1137145940 /nfs/dbraw/zinc/14/59/40/1137145940.db2.gz GHHKXZPEWDCJSA-HXUWFJFHSA-N 0 3 341.451 3.972 20 10 EHCDHN CCC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824649624 1137145943 /nfs/dbraw/zinc/14/59/43/1137145943.db2.gz GHHKXZPEWDCJSA-HXUWFJFHSA-N 0 3 341.451 3.972 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000824690770 1137148564 /nfs/dbraw/zinc/14/85/64/1137148564.db2.gz LIJZFYAXLLHLII-KRWDZBQOSA-N 0 3 335.831 3.610 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000824690770 1137148566 /nfs/dbraw/zinc/14/85/66/1137148566.db2.gz LIJZFYAXLLHLII-KRWDZBQOSA-N 0 3 335.831 3.610 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C2(C3(C)CC3)CC2)c1[O-] ZINC000825124406 1137166577 /nfs/dbraw/zinc/16/65/77/1137166577.db2.gz PKFNWTGHVFDEAF-UHFFFAOYSA-N 0 3 326.234 3.586 20 10 EHCDHN CC[C@H]([NH2+]CCOc1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000794816346 1137263503 /nfs/dbraw/zinc/26/35/03/1137263503.db2.gz MXJFMQGZNXMWBH-IBGZPJMESA-N 0 3 345.439 3.838 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794819152 1137266130 /nfs/dbraw/zinc/26/61/30/1137266130.db2.gz VTFBRLCFGDCRCK-AYOQOUSVSA-N 0 3 338.451 3.935 20 10 EHCDHN C[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)NC(=O)OC(C)(C)C ZINC000794825895 1137270156 /nfs/dbraw/zinc/27/01/56/1137270156.db2.gz QLKWBHFPARVLER-LOWVWBTDSA-N 0 3 338.423 3.582 20 10 EHCDHN Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000865431277 1137283104 /nfs/dbraw/zinc/28/31/04/1137283104.db2.gz AXGLFRRHXJSPKF-MRXNPFEDSA-N 0 3 328.431 3.822 20 10 EHCDHN Cc1nn(-c2cccc(C)c2)cc1CNCc1ccc(N(C)C)cc1 ZINC000845922555 1137320301 /nfs/dbraw/zinc/32/03/01/1137320301.db2.gz XGXTWNDRZFRJTH-UHFFFAOYSA-N 0 3 334.467 3.845 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnn(-c3ccccc3C)c2)c1 ZINC000845971855 1137322294 /nfs/dbraw/zinc/32/22/94/1137322294.db2.gz NKRYNCKZBULPAB-HNNXBMFYSA-N 0 3 337.423 3.746 20 10 EHCDHN CN(C)c1ccc(/C=C/CN2CCN(C)C[C@H]2Cc2ccccc2)cc1 ZINC000846066938 1137332634 /nfs/dbraw/zinc/33/26/34/1137332634.db2.gz JPZODFYKXWINLP-BWAMLYQTSA-N 0 3 349.522 3.625 20 10 EHCDHN COc1ccc(OC)c([C@H](C)N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846138528 1137338376 /nfs/dbraw/zinc/33/83/76/1137338376.db2.gz VXESTNDCKQOJSR-OLZOCXBDSA-N 0 3 331.412 3.830 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F ZINC000866464453 1137357053 /nfs/dbraw/zinc/35/70/53/1137357053.db2.gz JHEBJFZGLWWMJW-ZENOOKHLSA-N 0 3 330.394 3.639 20 10 EHCDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001144978528 1137377382 /nfs/dbraw/zinc/37/73/82/1137377382.db2.gz RHLJNNILZSTSEX-IBGZPJMESA-N 0 3 349.494 3.553 20 10 EHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000122259896 1137419840 /nfs/dbraw/zinc/41/98/40/1137419840.db2.gz ODSMWDYNNXPAJB-UHFFFAOYSA-N 0 3 341.430 3.608 20 10 EHCDHN C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(N(C)C)cc1 ZINC000773045826 1137461533 /nfs/dbraw/zinc/46/15/33/1137461533.db2.gz XWTIZMMIORKMFO-CYBMUJFWSA-N 0 3 339.418 3.528 20 10 EHCDHN C[C@@H](NCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000773045826 1137461535 /nfs/dbraw/zinc/46/15/35/1137461535.db2.gz XWTIZMMIORKMFO-CYBMUJFWSA-N 0 3 339.418 3.528 20 10 EHCDHN O=[N+]([O-])c1cc2c(cc1NCc1cc3ccccc3cc1O)CNC2 ZINC001171405281 1137472770 /nfs/dbraw/zinc/47/27/70/1137472770.db2.gz UAMNDULWTNRCBB-UHFFFAOYSA-N 0 3 335.363 3.669 20 10 EHCDHN COc1ccc(N2CCN([C@@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171418829 1137477467 /nfs/dbraw/zinc/47/74/67/1137477467.db2.gz LLUUMSSLRGNVDR-GOSISDBHSA-N 0 3 340.442 3.514 20 10 EHCDHN Cc1cc(Br)c([O-])c(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1 ZINC000873214916 1137594235 /nfs/dbraw/zinc/59/42/35/1137594235.db2.gz MPDGGELSBMULIN-GOEBONIOSA-N 0 3 347.256 3.890 20 10 EHCDHN Nc1c(Cl)cccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000876943896 1137665880 /nfs/dbraw/zinc/66/58/80/1137665880.db2.gz VWCKUFOKEYULFR-UHFFFAOYSA-N 0 3 347.915 3.765 20 10 EHCDHN COc1ccc(Br)c(CNCc2ccc(C)cc2O)c1 ZINC000876985192 1137666780 /nfs/dbraw/zinc/66/67/80/1137666780.db2.gz WJLMAKKFJKDZBP-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)c([O-])c1 ZINC000877000198 1137667452 /nfs/dbraw/zinc/66/74/52/1137667452.db2.gz MEUHMPXIQZBEML-IBGZPJMESA-N 0 3 345.446 3.805 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000877123810 1137670788 /nfs/dbraw/zinc/67/07/88/1137670788.db2.gz OTXSDPZNMLJENJ-IEBWSBKVSA-N 0 3 332.394 3.514 20 10 EHCDHN Cc1ccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c([O-])c1 ZINC000877303372 1137674004 /nfs/dbraw/zinc/67/40/04/1137674004.db2.gz DTSBMCVTKAYQCH-UHFFFAOYSA-N 0 3 341.386 3.612 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1[O-] ZINC000877771481 1137689195 /nfs/dbraw/zinc/68/91/95/1137689195.db2.gz QAALXEIWTWVCJW-OAHLLOKOSA-N 0 3 325.836 3.636 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)CNC2 ZINC000826035850 1137710851 /nfs/dbraw/zinc/71/08/51/1137710851.db2.gz LEHUBTYZBMFGQP-UHFFFAOYSA-N 0 3 349.478 3.552 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879648359 1137753491 /nfs/dbraw/zinc/75/34/91/1137753491.db2.gz LLCUGCZTTOYIBS-ZIAGYGMSSA-N 0 3 346.858 3.916 20 10 EHCDHN Cc1sc2[nH]c(CN[C@H](C)c3ccccc3O)nc(=O)c2c1C ZINC000879649598 1137753568 /nfs/dbraw/zinc/75/35/68/1137753568.db2.gz XDOZKZLIRSVKBP-SNVBAGLBSA-N 0 3 329.425 3.570 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(C)cc1[O-] ZINC000883263058 1137851242 /nfs/dbraw/zinc/85/12/42/1137851242.db2.gz FUXBEHLWGFOGOU-WMZOPIPTSA-N 0 3 333.472 3.717 20 10 EHCDHN C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000883275082 1137851946 /nfs/dbraw/zinc/85/19/46/1137851946.db2.gz FWQDWHBLZOUNFG-IAQYHMDHSA-N 0 3 336.229 3.539 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccc(C)cc1[O-] ZINC000886769540 1138136744 /nfs/dbraw/zinc/13/67/44/1138136744.db2.gz WUIJUQMAVOPBPG-SQWXYCIISA-N 0 3 333.472 3.714 20 10 EHCDHN Cc1cc2ncc([C@@H](C)NCc3ccc4c(c3)CCCN4C)c(C)n2n1 ZINC000093403446 1138237563 /nfs/dbraw/zinc/23/75/63/1138237563.db2.gz MBSAORXCLWAIKB-OAHLLOKOSA-N 0 3 349.482 3.579 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000301750627 1138635625 /nfs/dbraw/zinc/63/56/25/1138635625.db2.gz JGPMEIVLFABVGP-HUUCEWRRSA-N 0 3 334.460 3.832 20 10 EHCDHN Fc1cccc(C2(NCc3ccc4c(c3)CCO4)CCOCC2)c1 ZINC000174645058 1139432686 /nfs/dbraw/zinc/43/26/86/1139432686.db2.gz ANVVAXYSNDVDBF-UHFFFAOYSA-N 0 3 327.399 3.556 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccccc1[O-] ZINC000183432145 1140038104 /nfs/dbraw/zinc/03/81/04/1140038104.db2.gz PQHOOVHHHQBARN-CQSZACIVSA-N 0 3 346.421 3.986 20 10 EHCDHN CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183550970 1140045305 /nfs/dbraw/zinc/04/53/05/1140045305.db2.gz OQYXPXLEFVMKTD-MRXNPFEDSA-N 0 3 329.440 3.967 20 10 EHCDHN Cc1ccc(O)c([C@@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185048878 1140133160 /nfs/dbraw/zinc/13/31/60/1140133160.db2.gz PLUYBTNQRPNBEM-VQIMIIECSA-N 0 3 338.451 3.715 20 10 EHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000185451214 1140150735 /nfs/dbraw/zinc/15/07/35/1140150735.db2.gz GNCCAYSTBJQBSL-VXGBXAGGSA-N 0 3 349.402 3.969 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1F ZINC000186372396 1140200715 /nfs/dbraw/zinc/20/07/15/1140200715.db2.gz XRDIDCAUMOHWMG-UHFFFAOYSA-N 0 3 344.430 3.827 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1[O-] ZINC000283509510 1141642564 /nfs/dbraw/zinc/64/25/64/1141642564.db2.gz ZJSWAPRQIQXDKX-BDJLRTHQSA-N 0 3 336.229 3.539 20 10 EHCDHN CN(C)c1ccc(CNCc2cc(Br)cs2)cc1 ZINC000020306494 212117834 /nfs/dbraw/zinc/11/78/34/212117834.db2.gz WAZPJIGSNIUPKP-UHFFFAOYSA-N 0 3 325.275 3.866 20 10 EHCDHN COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000154153155 1015080980 /nfs/dbraw/zinc/08/09/80/1015080980.db2.gz SRRXKGIMIWHLTF-HZPDHXFCSA-N 0 3 326.440 3.578 20 10 EHCDHN CC[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000155192076 1016280845 /nfs/dbraw/zinc/28/08/45/1016280845.db2.gz MARBGWREQQWVMK-OALUTQOASA-N 0 3 338.451 3.797 20 10 EHCDHN C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183430990 1032170860 /nfs/dbraw/zinc/17/08/60/1032170860.db2.gz MCSIBTNCMKQKFO-HNNXBMFYSA-N 0 3 328.431 3.847 20 10 EHCDHN CC[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C)cc1[O-] ZINC000280016773 1020011042 /nfs/dbraw/zinc/01/10/42/1020011042.db2.gz HCWQYRAQUJLPEO-QFBILLFUSA-N 0 3 338.451 3.826 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(C)cc1[O-] ZINC000280158961 1020137349 /nfs/dbraw/zinc/13/73/49/1020137349.db2.gz QPNUORLOVFPXSX-KRWDZBQOSA-N 0 3 342.439 3.639 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(C)cc1[O-] ZINC000280218900 1020190404 /nfs/dbraw/zinc/19/04/04/1020190404.db2.gz UPOIPNQETVILKC-IBGZPJMESA-N 0 3 338.451 3.834 20 10 EHCDHN CN(C)Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1 ZINC000160964127 1021140257 /nfs/dbraw/zinc/14/02/57/1021140257.db2.gz YCHDBLOAJSXJKY-UHFFFAOYSA-N 0 3 337.467 3.991 20 10 EHCDHN Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297965480 1021731050 /nfs/dbraw/zinc/73/10/50/1021731050.db2.gz ZMCCXCYWEFVADL-MRXNPFEDSA-N 0 3 344.842 3.960 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(C)cc1[O-] ZINC000375643920 1022375021 /nfs/dbraw/zinc/37/50/21/1022375021.db2.gz LVQRNMGHVNPAQN-PBHICJAKSA-N 0 3 329.419 3.554 20 10 EHCDHN C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccccc1[O-] ZINC000760041125 1024219410 /nfs/dbraw/zinc/21/94/10/1024219410.db2.gz WHYIXYHWEOYYPL-IWMITWMQSA-N 0 3 343.442 3.956 20 10 EHCDHN CN1CCCc2cc(CN[C@H](c3cncc(F)c3)C3CC3)ccc21 ZINC000281112307 1024669139 /nfs/dbraw/zinc/66/91/39/1024669139.db2.gz CLLWHLMSVWYCBM-FQEVSTJZSA-N 0 3 325.431 3.844 20 10 EHCDHN Cc1nc([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)no1 ZINC000896239798 1025281266 /nfs/dbraw/zinc/28/12/66/1025281266.db2.gz LVJBYDSPLRVKJM-KRWDZBQOSA-N 0 3 335.407 3.740 20 10 EHCDHN Cc1nc([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)no1 ZINC000896239798 1025281275 /nfs/dbraw/zinc/28/12/75/1025281275.db2.gz LVJBYDSPLRVKJM-KRWDZBQOSA-N 0 3 335.407 3.740 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000019731273 1025302433 /nfs/dbraw/zinc/30/24/33/1025302433.db2.gz CBSGVKNREWIANX-UHFFFAOYSA-N 0 3 345.446 3.776 20 10 EHCDHN COc1ccc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000392111643 1025612528 /nfs/dbraw/zinc/61/25/28/1025612528.db2.gz AJJUPHAJYUGJCY-STQMWFEESA-N 0 3 331.412 3.830 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1cc(F)ccc1[O-] ZINC000273425104 1027421637 /nfs/dbraw/zinc/42/16/37/1027421637.db2.gz TYJJYCDNYLOMMM-CQSZACIVSA-N 0 3 329.419 3.767 20 10 EHCDHN COc1ccc(O)c(CN[C@@H](C)c2cc(Cl)cc3c2OCC3)c1 ZINC000897337871 1028702129 /nfs/dbraw/zinc/70/21/29/1028702129.db2.gz CUFIUSDUPPKHJG-NSHDSACASA-N 0 3 333.815 3.840 20 10 EHCDHN O=C1CCCCN1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000126592296 1029750526 /nfs/dbraw/zinc/75/05/26/1029750526.db2.gz FWVNLHIYZFSMGX-UHFFFAOYSA-N 0 3 338.451 3.522 20 10 EHCDHN COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000527971812 1031546761 /nfs/dbraw/zinc/54/67/61/1031546761.db2.gz URCULZLRZSJQAI-WMZOPIPTSA-N 0 3 340.467 3.634 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1[O-] ZINC000898071484 1033322600 /nfs/dbraw/zinc/32/26/00/1033322600.db2.gz LUMAZFHFNSVLTK-LLVKDONJSA-N 0 3 338.860 3.575 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1[O-] ZINC000898071484 1033322607 /nfs/dbraw/zinc/32/26/07/1033322607.db2.gz LUMAZFHFNSVLTK-LLVKDONJSA-N 0 3 338.860 3.575 20 10 EHCDHN COC(=O)[C@H](C)C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000780893051 1033842148 /nfs/dbraw/zinc/84/21/48/1033842148.db2.gz MJDSZZNIOLBXTK-OAHLLOKOSA-N 0 3 339.435 3.833 20 10 EHCDHN COC(=O)[C@H](C)C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000780893051 1033842160 /nfs/dbraw/zinc/84/21/60/1033842160.db2.gz MJDSZZNIOLBXTK-OAHLLOKOSA-N 0 3 339.435 3.833 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC000376008505 1035108086 /nfs/dbraw/zinc/10/80/86/1035108086.db2.gz SAIWHKBDNFSXAC-ZACQAIPSSA-N 0 3 330.472 3.532 20 10 EHCDHN C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000363860010 1038710394 /nfs/dbraw/zinc/71/03/94/1038710394.db2.gz GAXAIZRKYPQWTO-ZDUSSCGKSA-N 0 3 325.387 3.783 20 10 EHCDHN Cc1nc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(C)s1 ZINC000898450434 1039046824 /nfs/dbraw/zinc/04/68/24/1039046824.db2.gz RIPSGSYACHRNAM-UGSOOPFHSA-N 0 3 346.544 3.779 20 10 EHCDHN COc1cc(C)cc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000894085539 1040042026 /nfs/dbraw/zinc/04/20/26/1040042026.db2.gz PENZMSONISHOHM-BSEYFRJRSA-N 0 3 347.480 3.640 20 10 EHCDHN FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1NCc1ccc2c(c1)CCO2 ZINC001203161285 1042861565 /nfs/dbraw/zinc/86/15/65/1042861565.db2.gz LZLIIIUSXCPBSR-CRAIPNDOSA-N 0 3 349.352 3.646 20 10 EHCDHN CN(Cc1cc2ccccc2o1)Cc1ccc(N2CCOCC2)cc1 ZINC000178510929 1042881082 /nfs/dbraw/zinc/88/10/82/1042881082.db2.gz NLAWBSONHQNIHR-UHFFFAOYSA-N 0 3 336.435 3.901 20 10 EHCDHN COc1ccc(CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185147601 1126780776 /nfs/dbraw/zinc/78/07/76/1126780776.db2.gz OMPZHEUEJNUUHX-CYBMUJFWSA-N 0 3 333.403 3.832 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N2CCc3ccccc32)c([O-])c1 ZINC000186021140 1127235501 /nfs/dbraw/zinc/23/55/01/1127235501.db2.gz CGJBAZDNQXTDGZ-MRXNPFEDSA-N 0 3 338.451 3.721 20 10 EHCDHN Cc1cc(O)c(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1C ZINC000734481551 1131239475 /nfs/dbraw/zinc/23/94/75/1131239475.db2.gz VPDWIJQIQUYMST-LJQANCHMSA-N 0 3 338.451 3.636 20 10 EHCDHN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000765327664 1127597901 /nfs/dbraw/zinc/59/79/01/1127597901.db2.gz BFUMTKGVEGGJAL-DLBZAZTESA-N 0 3 342.487 3.712 20 10 EHCDHN COCc1cc([C@H](C)NCc2ccc3c(c2)CCO3)ccc1OC ZINC000765610877 1127706281 /nfs/dbraw/zinc/70/62/81/1127706281.db2.gz YDZBJEXTIACBQY-AWEZNQCLSA-N 0 3 327.424 3.627 20 10 EHCDHN C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000765779607 1128359235 /nfs/dbraw/zinc/35/92/35/1128359235.db2.gz LJRXUJGGCPGFLX-HZPDHXFCSA-N 0 3 326.440 3.641 20 10 EHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C)C1 ZINC000282127333 1121865365 /nfs/dbraw/zinc/86/53/65/1121865365.db2.gz BFCVKGOJXZXKAU-QFBILLFUSA-N 0 3 341.451 3.971 20 10 EHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C)C1 ZINC000282127333 1121865372 /nfs/dbraw/zinc/86/53/72/1121865372.db2.gz BFCVKGOJXZXKAU-QFBILLFUSA-N 0 3 341.451 3.971 20 10 EHCDHN CO[C@](C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)COCc1ccccc1 ZINC000702790753 1130246451 /nfs/dbraw/zinc/24/64/51/1130246451.db2.gz PRHQHEBEKOWQEA-WIYYLYMNSA-N 0 3 341.451 3.591 20 10 EHCDHN Oc1ccccc1CN(Cc1nc(-c2ccco2)no1)C1CCCC1 ZINC000731846417 1130849442 /nfs/dbraw/zinc/84/94/42/1130849442.db2.gz YHTDVIMSQLAVCG-UHFFFAOYSA-N 0 3 339.395 3.980 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1F ZINC001173189304 1131995121 /nfs/dbraw/zinc/99/51/21/1131995121.db2.gz OIDJAPCISPJKEW-NWDGAFQWSA-N 0 3 348.374 3.730 20 10 EHCDHN CC[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766610572 1132676982 /nfs/dbraw/zinc/67/69/82/1132676982.db2.gz VORQRYVOOATHII-WOJBJXKFSA-N 0 3 337.467 3.599 20 10 EHCDHN CCCCCn1cc(CNCc2cccc(OCC)c2O)c(C)n1 ZINC000767427647 1133000250 /nfs/dbraw/zinc/00/02/50/1133000250.db2.gz UXJQCESHQXTCOO-UHFFFAOYSA-N 0 3 331.460 3.776 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cncc2ccccc21 ZINC000768207324 1133107816 /nfs/dbraw/zinc/10/78/16/1133107816.db2.gz CMRXAEZLCHYKLP-UHFFFAOYSA-N 0 3 347.462 3.703 20 10 EHCDHN CCOc1cccc(CN2CCN(c3ccc(C)c(C)c3)CC2)c1O ZINC000768241211 1133112176 /nfs/dbraw/zinc/11/21/76/1133112176.db2.gz OEJVAEQWMJLBPN-UHFFFAOYSA-N 0 3 340.467 3.730 20 10 EHCDHN COc1ccc(OC)c(CN(Cc2cc(C)ccc2O)C2CC2)c1 ZINC000768302254 1133122338 /nfs/dbraw/zinc/12/23/38/1133122338.db2.gz RWDGWQMAKIHOCY-UHFFFAOYSA-N 0 3 327.424 3.882 20 10 EHCDHN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000768442558 1133139374 /nfs/dbraw/zinc/13/93/74/1133139374.db2.gz LVDYWQPOQVTJLV-AZUAARDMSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1C ZINC000768442558 1133139377 /nfs/dbraw/zinc/13/93/77/1133139377.db2.gz LVDYWQPOQVTJLV-AZUAARDMSA-N 0 3 339.435 3.772 20 10 EHCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3)CCCC1)[C@H](O)CO2 ZINC000768442120 1133139536 /nfs/dbraw/zinc/13/95/36/1133139536.db2.gz JBVLUWVQVQCMDE-GOSISDBHSA-N 0 3 343.398 3.516 20 10 EHCDHN C[N@H+](CCc1cccc2ccccc21)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444669 1133140138 /nfs/dbraw/zinc/14/01/38/1133140138.db2.gz NGJUVEMLCSSYSF-NRFANRHFSA-N 0 3 349.430 3.646 20 10 EHCDHN C[N@@H+](CCc1cccc2ccccc21)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444669 1133140140 /nfs/dbraw/zinc/14/01/40/1133140140.db2.gz NGJUVEMLCSSYSF-NRFANRHFSA-N 0 3 349.430 3.646 20 10 EHCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1C ZINC000768448808 1133140416 /nfs/dbraw/zinc/14/04/16/1133140416.db2.gz XNRCWRFHTOBNLN-UYAOXDASSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1C ZINC000768448808 1133140419 /nfs/dbraw/zinc/14/04/19/1133140419.db2.gz XNRCWRFHTOBNLN-UYAOXDASSA-N 0 3 339.435 3.772 20 10 EHCDHN Oc1cc2c(cc1CN1CCCC[C@@H]1c1ccc(F)cc1)[C@H](O)CO2 ZINC000768464475 1133144520 /nfs/dbraw/zinc/14/45/20/1133144520.db2.gz SLGWDOZIJHTSDK-IEBWSBKVSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)[C@H](O)CO2 ZINC000768464475 1133144523 /nfs/dbraw/zinc/14/45/23/1133144523.db2.gz SLGWDOZIJHTSDK-IEBWSBKVSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)[C@H](O)CO2 ZINC000768464475 1133144524 /nfs/dbraw/zinc/14/45/24/1133144524.db2.gz SLGWDOZIJHTSDK-IEBWSBKVSA-N 0 3 343.398 3.684 20 10 EHCDHN C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466568 1133145471 /nfs/dbraw/zinc/14/54/71/1133145471.db2.gz SBMDZQYCIBNNFG-QHLBDZCJSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466568 1133145474 /nfs/dbraw/zinc/14/54/74/1133145474.db2.gz SBMDZQYCIBNNFG-QHLBDZCJSA-N 0 3 343.398 3.540 20 10 EHCDHN C[N@H+](CCOc1ccccc1Br)Cc1ccccc1[O-] ZINC000768727834 1133174889 /nfs/dbraw/zinc/17/48/89/1133174889.db2.gz ODUWAPZFNDHDGH-UHFFFAOYSA-N 0 3 336.229 3.666 20 10 EHCDHN C[N@@H+](CCOc1ccccc1Br)Cc1ccccc1[O-] ZINC000768727834 1133174890 /nfs/dbraw/zinc/17/48/90/1133174890.db2.gz ODUWAPZFNDHDGH-UHFFFAOYSA-N 0 3 336.229 3.666 20 10 EHCDHN CC1CC[NH+](C[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000769148590 1133234203 /nfs/dbraw/zinc/23/42/03/1133234203.db2.gz OOFMDTINTNFERG-INIZCTEOSA-N 0 3 336.907 3.990 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000769398827 1133275927 /nfs/dbraw/zinc/27/59/27/1133275927.db2.gz JVBAHBJMFFGGFL-UHFFFAOYSA-N 0 3 341.451 3.830 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000769398827 1133275931 /nfs/dbraw/zinc/27/59/31/1133275931.db2.gz JVBAHBJMFFGGFL-UHFFFAOYSA-N 0 3 341.451 3.830 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000769425480 1133282518 /nfs/dbraw/zinc/28/25/18/1133282518.db2.gz IAQNXSHZZCETIO-TXEJJXNPSA-N 0 3 340.261 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000769425480 1133282523 /nfs/dbraw/zinc/28/25/23/1133282523.db2.gz IAQNXSHZZCETIO-TXEJJXNPSA-N 0 3 340.261 3.785 20 10 EHCDHN [O-]c1c(F)cc(F)cc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001180125429 1133334685 /nfs/dbraw/zinc/33/46/85/1133334685.db2.gz ZMAHAHAVECDWHH-UHFFFAOYSA-N 0 3 338.442 3.758 20 10 EHCDHN COc1ccc(CNC(C)(C)C(=O)NCC2CCCCC2)cc1C ZINC000769934160 1133369141 /nfs/dbraw/zinc/36/91/41/1133369141.db2.gz LHNCHSSPBAVTKC-UHFFFAOYSA-N 0 3 332.488 3.568 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000770305657 1133409355 /nfs/dbraw/zinc/40/93/55/1133409355.db2.gz GZBRFPJMZAVNIT-NSHDSACASA-N 0 3 328.250 3.641 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000770305657 1133409358 /nfs/dbraw/zinc/40/93/58/1133409358.db2.gz GZBRFPJMZAVNIT-NSHDSACASA-N 0 3 328.250 3.641 20 10 EHCDHN CC(C)[C@@H](CC[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000770504474 1133435875 /nfs/dbraw/zinc/43/58/75/1133435875.db2.gz GXYFZNZVRNFAKB-MRXNPFEDSA-N 0 3 336.476 3.763 20 10 EHCDHN CC(C)[C@@H](CC[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000770504474 1133435879 /nfs/dbraw/zinc/43/58/79/1133435879.db2.gz GXYFZNZVRNFAKB-MRXNPFEDSA-N 0 3 336.476 3.763 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(OC)cc2)c([O-])c1 ZINC000771875898 1133605296 /nfs/dbraw/zinc/60/52/96/1133605296.db2.gz IWYIKPCZDOXSEM-VBKZILBWSA-N 0 3 345.439 3.665 20 10 EHCDHN Cc1nc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000774483963 1133687982 /nfs/dbraw/zinc/68/79/82/1133687982.db2.gz QPDUNUDBIKYWCF-OLZOCXBDSA-N 0 3 346.500 3.504 20 10 EHCDHN CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789568112 1134297214 /nfs/dbraw/zinc/29/72/14/1134297214.db2.gz WOXCVTNVYOOLNO-OAQYLSRUSA-N 0 3 341.451 3.708 20 10 EHCDHN CC[C@]1(CO)CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789568112 1134297219 /nfs/dbraw/zinc/29/72/19/1134297219.db2.gz WOXCVTNVYOOLNO-OAQYLSRUSA-N 0 3 341.451 3.708 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1[O-] ZINC000775129678 1134351888 /nfs/dbraw/zinc/35/18/88/1134351888.db2.gz IQKQNIRCXCDKQU-BDJLRTHQSA-N 0 3 336.229 3.539 20 10 EHCDHN Cc1cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000790408005 1134412155 /nfs/dbraw/zinc/41/21/55/1134412155.db2.gz SIOCSAUBSGCEFJ-CKJXQJPGSA-N 0 3 347.499 3.766 20 10 EHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000790403085 1134416622 /nfs/dbraw/zinc/41/66/22/1134416622.db2.gz MNBJHZJGTUQNOL-FTRWYGJKSA-N 0 3 333.472 3.592 20 10 EHCDHN CN(C)c1ccc(CNC(C)(C)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000792984189 1134834038 /nfs/dbraw/zinc/83/40/38/1134834038.db2.gz FTXQWSMYKLYKLQ-UHFFFAOYSA-N 0 3 340.393 3.530 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([O-])c1 ZINC000793611811 1134971185 /nfs/dbraw/zinc/97/11/85/1134971185.db2.gz HFKOTLQIYRUUNK-LSDHHAIUSA-N 0 3 330.255 3.807 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([O-])c1 ZINC000793611811 1134971192 /nfs/dbraw/zinc/97/11/92/1134971192.db2.gz HFKOTLQIYRUUNK-LSDHHAIUSA-N 0 3 330.255 3.807 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000805742590 1135324036 /nfs/dbraw/zinc/32/40/36/1135324036.db2.gz OAGZFUYWNNMUIH-GOSISDBHSA-N 0 3 333.859 3.861 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000805742590 1135324042 /nfs/dbraw/zinc/32/40/42/1135324042.db2.gz OAGZFUYWNNMUIH-GOSISDBHSA-N 0 3 333.859 3.861 20 10 EHCDHN Cc1cccc(CN2CCN([C@H](C)c3ccc(F)cc3F)CC2)c1O ZINC000775676200 1135500425 /nfs/dbraw/zinc/50/04/25/1135500425.db2.gz OLGXMZGREKVXFB-OAHLLOKOSA-N 0 3 346.421 3.858 20 10 EHCDHN COc1cc(O)c(CN2Cc3ccccc3OC(C)(C)C2)cc1OC ZINC000808237020 1135639311 /nfs/dbraw/zinc/63/93/11/1135639311.db2.gz YZYZWFLCMZPVOG-UHFFFAOYSA-N 0 3 343.423 3.583 20 10 EHCDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000808683943 1135710529 /nfs/dbraw/zinc/71/05/29/1135710529.db2.gz AKXVCJWVVOOGCK-MRXNPFEDSA-N 0 3 332.394 3.817 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1[O-] ZINC000808681040 1135710726 /nfs/dbraw/zinc/71/07/26/1135710726.db2.gz UVUMGWJEZRDGFS-GDBMZVCRSA-N 0 3 333.859 3.856 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1[O-] ZINC000808672667 1135714185 /nfs/dbraw/zinc/71/41/85/1135714185.db2.gz QWAXWVCLFZRPFF-GFCCVEGCSA-N 0 3 333.815 3.976 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c1[O-] ZINC000808672826 1135714400 /nfs/dbraw/zinc/71/44/00/1135714400.db2.gz HIJQHJRJQJPYKM-HIFRSBDPSA-N 0 3 327.852 3.590 20 10 EHCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716041 1135719591 /nfs/dbraw/zinc/71/95/91/1135719591.db2.gz QLKRGDBNHHRGET-WMLDXEAASA-N 0 3 333.859 3.917 20 10 EHCDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808716290 1135719680 /nfs/dbraw/zinc/71/96/80/1135719680.db2.gz LJIOOOUCDPWOOW-NSHDSACASA-N 0 3 333.819 3.558 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(F)cc3C2)c2c1c(F)ccc2[O-] ZINC000808727903 1135726938 /nfs/dbraw/zinc/72/69/38/1135726938.db2.gz KPXQTAQLZYVBDO-YVLXSGLVSA-N 0 3 331.362 3.812 20 10 EHCDHN C[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775829921 1135784652 /nfs/dbraw/zinc/78/46/52/1135784652.db2.gz AXICCLLDHHGLRV-GFCCVEGCSA-N 0 3 349.837 3.834 20 10 EHCDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775838662 1135797351 /nfs/dbraw/zinc/79/73/51/1135797351.db2.gz ZXESAYQURXSQLW-MRXNPFEDSA-N 0 3 325.456 3.659 20 10 EHCDHN CCC[C@]1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000809703526 1135874413 /nfs/dbraw/zinc/87/44/13/1135874413.db2.gz LQYIRBQMHPOXSQ-HNNXBMFYSA-N 0 3 328.250 3.512 20 10 EHCDHN COc1cc(Cl)cc(C[NH+]2CCC(c3cccnc3)CC2)c1[O-] ZINC000809738341 1135882763 /nfs/dbraw/zinc/88/27/63/1135882763.db2.gz UZOHIPADBZRUBC-UHFFFAOYSA-N 0 3 332.831 3.829 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000809753678 1135886071 /nfs/dbraw/zinc/88/60/71/1135886071.db2.gz XIINZQOUAOFZBH-UHFFFAOYSA-N 0 3 341.842 3.945 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000809753678 1135886072 /nfs/dbraw/zinc/88/60/72/1135886072.db2.gz XIINZQOUAOFZBH-UHFFFAOYSA-N 0 3 341.842 3.945 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000809757494 1135886946 /nfs/dbraw/zinc/88/69/46/1135886946.db2.gz OHHBPRULFSZXSJ-INIZCTEOSA-N 0 3 342.277 3.590 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000809757494 1135886949 /nfs/dbraw/zinc/88/69/49/1135886949.db2.gz OHHBPRULFSZXSJ-INIZCTEOSA-N 0 3 342.277 3.590 20 10 EHCDHN Cc1cccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000776254119 1136104151 /nfs/dbraw/zinc/10/41/51/1136104151.db2.gz SWAGVRMCSSJVHN-HNNXBMFYSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]CCCCC(=O)OC(C)(C)C)c1[O-] ZINC000776256128 1136113247 /nfs/dbraw/zinc/11/32/47/1136113247.db2.gz KUPVGRFSBMVLBQ-UHFFFAOYSA-N 0 3 327.852 3.956 20 10 EHCDHN COc1ccc2c(c1)C1(CC1)CN(Cc1cc(OC)c(C)cc1O)C2 ZINC000811794852 1136137605 /nfs/dbraw/zinc/13/76/05/1136137605.db2.gz ZNLFSOJLIANGQY-UHFFFAOYSA-N 0 3 339.435 3.765 20 10 EHCDHN COc1cc(CN[C@@H](CO)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850140091 1136214222 /nfs/dbraw/zinc/21/42/22/1136214222.db2.gz UNLWWAIQZHKLIB-SFHVURJKSA-N 0 3 329.440 3.522 20 10 EHCDHN CCOCc1cc(CN[C@H]2CCc3ccc(O)cc32)ccc1OC ZINC000850386355 1136247079 /nfs/dbraw/zinc/24/70/79/1136247079.db2.gz IDYRVAGVRBPVRE-IBGZPJMESA-N 0 3 327.424 3.714 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000850565524 1136286843 /nfs/dbraw/zinc/28/68/43/1136286843.db2.gz DBQIEWDBJRUGAX-JQWIXIFHSA-N 0 3 329.362 3.610 20 10 EHCDHN CCN(CC)c1ncc(CN[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000813331734 1136319107 /nfs/dbraw/zinc/31/91/07/1136319107.db2.gz SNMUMOWYBWEVFR-LBPRGKRZSA-N 0 3 335.473 3.554 20 10 EHCDHN CC[C@@H](CC(F)F)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000851807461 1136410074 /nfs/dbraw/zinc/41/00/74/1136410074.db2.gz GOANJNKBKDRISZ-ZDUSSCGKSA-N 0 3 330.394 3.638 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000851879302 1136415749 /nfs/dbraw/zinc/41/57/49/1136415749.db2.gz HYMVJSAEMXDCDH-CRAIPNDOSA-N 0 3 325.408 3.661 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000851879302 1136415752 /nfs/dbraw/zinc/41/57/52/1136415752.db2.gz HYMVJSAEMXDCDH-CRAIPNDOSA-N 0 3 325.408 3.661 20 10 EHCDHN CCN1CCN(c2ccc(CNCc3ccsc3C)cc2F)CC1 ZINC000815124406 1136554137 /nfs/dbraw/zinc/55/41/37/1136554137.db2.gz WNCIFBMQNMKYGT-UHFFFAOYSA-N 0 3 347.503 3.627 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000815111974 1136557375 /nfs/dbraw/zinc/55/73/75/1136557375.db2.gz IPFMBSNUNAIZLX-LJQANCHMSA-N 0 3 331.431 3.737 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000815111974 1136557378 /nfs/dbraw/zinc/55/73/78/1136557378.db2.gz IPFMBSNUNAIZLX-LJQANCHMSA-N 0 3 331.431 3.737 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000815559347 1136610784 /nfs/dbraw/zinc/61/07/84/1136610784.db2.gz DZDDRVXLFGGGSU-HNNXBMFYSA-N 0 3 332.488 3.697 20 10 EHCDHN [O-]c1c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521255 1136726855 /nfs/dbraw/zinc/72/68/55/1136726855.db2.gz KRMPHLQOUIKEAU-UTKZUKDTSA-N 0 3 336.479 3.994 20 10 EHCDHN [O-]c1c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521255 1136726857 /nfs/dbraw/zinc/72/68/57/1136726857.db2.gz KRMPHLQOUIKEAU-UTKZUKDTSA-N 0 3 336.479 3.994 20 10 EHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc(C)n1 ZINC000817588746 1136827052 /nfs/dbraw/zinc/82/70/52/1136827052.db2.gz JRSFYNGEDOVWHL-MRXNPFEDSA-N 0 3 343.446 3.525 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNCc2cccnc2)c1[O-] ZINC000817940369 1136848238 /nfs/dbraw/zinc/84/82/38/1136848238.db2.gz MAFNIVLVRMVCMH-CQSZACIVSA-N 0 3 333.863 3.580 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2NCCc3ccccc32)c2c1c(F)ccc2[O-] ZINC000817973407 1136853827 /nfs/dbraw/zinc/85/38/27/1136853827.db2.gz FHDGMUAZSWJENL-JLZZUVOBSA-N 0 3 326.415 3.556 20 10 EHCDHN COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1OC1CC1 ZINC000858139794 1136943294 /nfs/dbraw/zinc/94/32/94/1136943294.db2.gz ZFFSBPPWYPFPMM-UHFFFAOYSA-N 0 3 340.467 3.901 20 10 EHCDHN CN(C)c1cc(F)c(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1F ZINC000858157302 1136944772 /nfs/dbraw/zinc/94/47/72/1136944772.db2.gz XGVGWZPBBFHNGO-MGPUTAFESA-N 0 3 346.421 3.898 20 10 EHCDHN CN(Cc1cccs1)c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000824438938 1137137763 /nfs/dbraw/zinc/13/77/63/1137137763.db2.gz CWYSYVJDZBVBPM-UHFFFAOYSA-N 0 3 328.481 3.607 20 10 EHCDHN Cc1cccnc1CCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824783313 1137154122 /nfs/dbraw/zinc/15/41/22/1137154122.db2.gz JIVCXJIZPGTZFE-UHFFFAOYSA-N 0 3 349.272 3.889 20 10 EHCDHN CC[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H](CC)CO1 ZINC000844384167 1137215907 /nfs/dbraw/zinc/21/59/07/1137215907.db2.gz CCYLIQUWUCGFLN-ICSRJNTNSA-N 0 3 346.515 3.691 20 10 EHCDHN Cc1cc(O)c(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1C ZINC000865656426 1137302255 /nfs/dbraw/zinc/30/22/55/1137302255.db2.gz NMFARECZTSCDDR-INIZCTEOSA-N 0 3 339.357 3.851 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000865834478 1137315237 /nfs/dbraw/zinc/31/52/37/1137315237.db2.gz NNVBZYWVCDBUMT-HYVNUMGLSA-N 0 3 330.225 3.583 20 10 EHCDHN COc1cc(OC)c(CNCCCSc2nccs2)cc1F ZINC000845939399 1137321782 /nfs/dbraw/zinc/32/17/82/1137321782.db2.gz OPDAEPMWKMRLTL-UHFFFAOYSA-N 0 3 342.461 3.571 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(-c3ccccc3C)c2)c1 ZINC000845971856 1137322492 /nfs/dbraw/zinc/32/24/92/1137322492.db2.gz NKRYNCKZBULPAB-OAHLLOKOSA-N 0 3 337.423 3.746 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000845992734 1137323491 /nfs/dbraw/zinc/32/34/91/1137323491.db2.gz OROFNDCNDFZQHR-KBXCAEBGSA-N 0 3 347.480 3.640 20 10 EHCDHN COc1cccc([C@@H](C)N[C@H]2CCOc3c(OC)cccc32)c1O ZINC000846151292 1137336455 /nfs/dbraw/zinc/33/64/55/1137336455.db2.gz ZBIGJCDSKZWHBS-DOMZBBRYSA-N 0 3 329.396 3.584 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846180939 1137339919 /nfs/dbraw/zinc/33/99/19/1137339919.db2.gz OOPANKCGVAUHMB-IIBYNOLFSA-N 0 3 325.452 3.536 20 10 EHCDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000122445745 1137439404 /nfs/dbraw/zinc/43/94/04/1137439404.db2.gz YZXCCCZVULSIQZ-ZDUSSCGKSA-N 0 3 331.391 3.959 20 10 EHCDHN CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001172104635 1137536484 /nfs/dbraw/zinc/53/64/84/1137536484.db2.gz DPFJAQOSPPXBKM-QKDCVEJESA-N 0 3 345.874 3.699 20 10 EHCDHN COc1ccc(N2CCN([C@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172194246 1137543090 /nfs/dbraw/zinc/54/30/90/1137543090.db2.gz SPMFGXVBWUZGMC-GOSISDBHSA-N 0 3 340.492 3.534 20 10 EHCDHN Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000876964100 1137666352 /nfs/dbraw/zinc/66/63/52/1137666352.db2.gz SDWBNBZHBPWHSW-UHFFFAOYSA-N 0 3 329.415 3.678 20 10 EHCDHN Cc1ccccc1C1(C[NH2+]Cc2c(C)cccc2[O-])CCOCC1 ZINC000876967829 1137666489 /nfs/dbraw/zinc/66/64/89/1137666489.db2.gz CFVBLUYRQISFSI-UHFFFAOYSA-N 0 3 325.452 3.847 20 10 EHCDHN Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c([O-])c1 ZINC000877485587 1137678012 /nfs/dbraw/zinc/67/80/12/1137678012.db2.gz ZYIBKVKYNWRSGM-HNNXBMFYSA-N 0 3 340.423 3.850 20 10 EHCDHN Cc1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c([O-])c1 ZINC000877485587 1137678013 /nfs/dbraw/zinc/67/80/13/1137678013.db2.gz ZYIBKVKYNWRSGM-HNNXBMFYSA-N 0 3 340.423 3.850 20 10 EHCDHN CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649129 1137753562 /nfs/dbraw/zinc/75/35/62/1137753562.db2.gz MPAIVOSHIHVDQJ-CQSZACIVSA-N 0 3 326.440 3.806 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1[O-] ZINC000879650017 1137753739 /nfs/dbraw/zinc/75/37/39/1137753739.db2.gz XVSLESVDPPYFQU-QZWKJPRYSA-N 0 3 342.483 3.516 20 10 EHCDHN Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000879651638 1137753768 /nfs/dbraw/zinc/75/37/68/1137753768.db2.gz FDNHJUBONDDVSD-JKSUJKDBSA-N 0 3 326.440 3.995 20 10 EHCDHN C[C@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879651910 1137753935 /nfs/dbraw/zinc/75/39/35/1137753935.db2.gz OUROXUPCXHTVPS-KXBFYZLASA-N 0 3 338.451 3.627 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000883223972 1137849286 /nfs/dbraw/zinc/84/92/86/1137849286.db2.gz BMAUHJLSYVMXOY-VXGBXAGGSA-N 0 3 344.402 3.591 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+](C)CCc2ccccn2)c1[O-] ZINC000120778074 1137952367 /nfs/dbraw/zinc/95/23/67/1137952367.db2.gz IBNQJRWSXZNNIO-UHFFFAOYSA-N 0 3 335.245 3.533 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCc2ccccn2)c1[O-] ZINC000120778074 1137952368 /nfs/dbraw/zinc/95/23/68/1137952368.db2.gz IBNQJRWSXZNNIO-UHFFFAOYSA-N 0 3 335.245 3.533 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cncc(C(=O)OC)c2)cc1 ZINC000886507789 1138086032 /nfs/dbraw/zinc/08/60/32/1138086032.db2.gz YKYBFXYCUPJAFF-OAHLLOKOSA-N 0 3 341.455 3.565 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000886603334 1138101017 /nfs/dbraw/zinc/10/10/17/1138101017.db2.gz LPVVJFVGNKLERS-RDJZCZTQSA-N 0 3 328.431 3.704 20 10 EHCDHN CCC[N@H+](Cc1cn(C)nc1-c1ccncc1)Cc1ccccc1[O-] ZINC000092705045 1138230772 /nfs/dbraw/zinc/23/07/72/1138230772.db2.gz SRYNNELTFPRQSE-UHFFFAOYSA-N 0 3 336.439 3.600 20 10 EHCDHN CCC[N@@H+](Cc1cn(C)nc1-c1ccncc1)Cc1ccccc1[O-] ZINC000092705045 1138230774 /nfs/dbraw/zinc/23/07/74/1138230774.db2.gz SRYNNELTFPRQSE-UHFFFAOYSA-N 0 3 336.439 3.600 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc([S@@](C)=O)cc1 ZINC000122941149 1138264345 /nfs/dbraw/zinc/26/43/45/1138264345.db2.gz ZGKACPBADNNJGI-MYYSRTQBSA-N 0 3 342.508 3.657 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)cc1 ZINC000126332699 1138328914 /nfs/dbraw/zinc/32/89/14/1138328914.db2.gz LJUZELAGBYZIFD-MRXNPFEDSA-N 0 3 349.482 3.883 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCOC(C)(C)C2)c1[O-] ZINC000127235367 1138350771 /nfs/dbraw/zinc/35/07/71/1138350771.db2.gz JQKXJBYYZDSGBF-ZDUSSCGKSA-N 0 3 328.250 3.510 20 10 EHCDHN CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179643773 1139771947 /nfs/dbraw/zinc/77/19/47/1139771947.db2.gz OWWVENUKCORARE-PXNSSMCTSA-N 0 3 343.467 3.741 20 10 EHCDHN CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179643773 1139771952 /nfs/dbraw/zinc/77/19/52/1139771952.db2.gz OWWVENUKCORARE-PXNSSMCTSA-N 0 3 343.467 3.741 20 10 EHCDHN Cc1cc2ncc([C@@H](C)NCc3ccc(N4CCCC4)cc3)c(C)n2n1 ZINC000181199937 1139892513 /nfs/dbraw/zinc/89/25/13/1139892513.db2.gz IOJJIPXPBYTEJV-MRXNPFEDSA-N 0 3 349.482 3.797 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183633564 1140051331 /nfs/dbraw/zinc/05/13/31/1140051331.db2.gz DDUIDISGASKFLL-OYYNGEPBSA-N 0 3 332.394 3.766 20 10 EHCDHN COCCCN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185314515 1140144319 /nfs/dbraw/zinc/14/43/19/1140144319.db2.gz KHAFGLUVTBNAHV-MRXNPFEDSA-N 0 3 342.483 3.697 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(O[C@@H]2CCOC2)c1 ZINC000185726881 1140166753 /nfs/dbraw/zinc/16/67/53/1140166753.db2.gz LOAIZGKQTTZTBU-WMLDXEAASA-N 0 3 345.414 3.858 20 10 EHCDHN C[C@H](NCc1cccc(N(C)C)n1)c1cc2c(cc1O)CCCC2 ZINC000186179490 1140191116 /nfs/dbraw/zinc/19/11/16/1140191116.db2.gz GSZOZHIMTVDUIV-AWEZNQCLSA-N 0 3 325.456 3.583 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000187302499 1140249297 /nfs/dbraw/zinc/24/92/97/1140249297.db2.gz OLVRASOFEZOKHQ-SGMGOOAPSA-N 0 3 342.277 3.665 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000188525690 1140299929 /nfs/dbraw/zinc/29/99/29/1140299929.db2.gz KWQFAMGWGMKHIV-CYBMUJFWSA-N 0 3 330.394 3.626 20 10 EHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cncc(Br)c1 ZINC000829123714 1140404652 /nfs/dbraw/zinc/40/46/52/1140404652.db2.gz XXXMQHVRGQFDRB-LBPRGKRZSA-N 0 3 334.261 3.761 20 10 EHCDHN Cc1cccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000268869702 1141014134 /nfs/dbraw/zinc/01/41/34/1141014134.db2.gz UUYWKYQBBCOGRA-INIZCTEOSA-N 0 3 342.458 3.946 20 10 EHCDHN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000269109528 1141066685 /nfs/dbraw/zinc/06/66/85/1141066685.db2.gz VPEUIVSHKPYALK-KNXBSLHKSA-N 0 3 336.479 3.986 20 10 EHCDHN COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000154152929 1015080897 /nfs/dbraw/zinc/08/08/97/1015080897.db2.gz SRRXKGIMIWHLTF-CVEARBPZSA-N 0 3 326.440 3.578 20 10 EHCDHN COc1ccc(CNCc2oc3ccccc3c2C)c(O)c1OC ZINC000892958094 1017979019 /nfs/dbraw/zinc/97/90/19/1017979019.db2.gz XPHWYXXMFLFZFQ-UHFFFAOYSA-N 0 3 327.380 3.754 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000155514338 1018098633 /nfs/dbraw/zinc/09/86/33/1018098633.db2.gz DYLFJYFBKWXSAT-AEFFLSMTSA-N 0 3 340.467 3.968 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)Cc3scnc3C)c2c1 ZINC000172496418 1032744590 /nfs/dbraw/zinc/74/45/90/1032744590.db2.gz MNZHDQVSYSECTE-UHFFFAOYSA-N 0 3 328.437 3.951 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)Cc3scnc3C)c2c1 ZINC000172496418 1032744612 /nfs/dbraw/zinc/74/46/12/1032744612.db2.gz MNZHDQVSYSECTE-UHFFFAOYSA-N 0 3 328.437 3.951 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000280077428 1020066087 /nfs/dbraw/zinc/06/60/87/1020066087.db2.gz LMVFYCVVWQFENQ-UKRRQHHQSA-N 0 3 330.394 3.626 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCSC2)c1[O-] ZINC000280196092 1020161908 /nfs/dbraw/zinc/16/19/08/1020161908.db2.gz VCUWOUUAOHIPLK-WDEREUQCSA-N 0 3 330.291 3.867 20 10 EHCDHN CCN1CCN(c2ccccc2N[C@H]2CCc3cccc(O)c32)CC1 ZINC000296750242 1021423070 /nfs/dbraw/zinc/42/30/70/1021423070.db2.gz JSWZIQNGENHXCM-SFHVURJKSA-N 0 3 337.467 3.634 20 10 EHCDHN COc1cc(Cl)cc(CN2CCC=C(c3ccncc3)C2)c1O ZINC000289809180 1021836960 /nfs/dbraw/zinc/83/69/60/1021836960.db2.gz SRRXYMDPCHTZGY-UHFFFAOYSA-N 0 3 330.815 3.739 20 10 EHCDHN COc1ccc(CN2CCC[C@H]2c2cccc(F)c2)c(O)c1OC ZINC000891618998 1022115344 /nfs/dbraw/zinc/11/53/44/1022115344.db2.gz YHONDZFCBRBNOJ-INIZCTEOSA-N 0 3 331.387 3.886 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnc(CC(F)(F)F)s2)c1 ZINC000894501637 1022429554 /nfs/dbraw/zinc/42/95/54/1022429554.db2.gz DPJYXFCPSLQWOK-VIFPVBQESA-N 0 3 346.374 3.813 20 10 EHCDHN COC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccc(Cl)cc1 ZINC000894581849 1022585662 /nfs/dbraw/zinc/58/56/62/1022585662.db2.gz TWZUWEIXZAJREY-MRXNPFEDSA-N 0 3 335.831 3.840 20 10 EHCDHN CC1(C)CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)OC1 ZINC001167982352 1022824115 /nfs/dbraw/zinc/82/41/15/1022824115.db2.gz CNRATZYFNRMEFH-MSOLQXFVSA-N 0 3 333.472 3.578 20 10 EHCDHN CC1(C)CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)OC1 ZINC001167982352 1022824136 /nfs/dbraw/zinc/82/41/36/1022824136.db2.gz CNRATZYFNRMEFH-MSOLQXFVSA-N 0 3 333.472 3.578 20 10 EHCDHN Cc1cc(F)cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001143586454 1024124233 /nfs/dbraw/zinc/12/42/33/1024124233.db2.gz NKYULRVSQJGRKG-UHFFFAOYSA-N 0 3 328.431 3.603 20 10 EHCDHN CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197830 1025371769 /nfs/dbraw/zinc/37/17/69/1025371769.db2.gz YKTARHAMEQJCKQ-KBPBESRZSA-N 0 3 325.474 3.515 20 10 EHCDHN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197830 1025371782 /nfs/dbraw/zinc/37/17/82/1025371782.db2.gz YKTARHAMEQJCKQ-KBPBESRZSA-N 0 3 325.474 3.515 20 10 EHCDHN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305092611 1027797275 /nfs/dbraw/zinc/79/72/75/1027797275.db2.gz YKWWWMDEODAENZ-KDOFPFPSSA-N 0 3 332.419 3.793 20 10 EHCDHN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000761203714 1034415256 /nfs/dbraw/zinc/41/52/56/1034415256.db2.gz XUOLJCCXNJATSU-QGZVFWFLSA-N 0 3 349.858 3.918 20 10 EHCDHN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000761203714 1034415266 /nfs/dbraw/zinc/41/52/66/1034415266.db2.gz XUOLJCCXNJATSU-QGZVFWFLSA-N 0 3 349.858 3.918 20 10 EHCDHN COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C2CC2)cn1 ZINC000529688121 1034458657 /nfs/dbraw/zinc/45/86/57/1034458657.db2.gz INHWGGDHHNJJNR-QGZVFWFLSA-N 0 3 348.830 3.699 20 10 EHCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000090403385 1035511388 /nfs/dbraw/zinc/51/13/88/1035511388.db2.gz WZBBLTXXIGMATQ-ZDUSSCGKSA-N 0 3 333.526 3.856 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000186195613 1035601304 /nfs/dbraw/zinc/60/13/04/1035601304.db2.gz HWTRNXAYOJZADL-VQIMIIECSA-N 0 3 338.451 3.542 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC4(CCCC4)C3)c2c1 ZINC000164498037 1035642878 /nfs/dbraw/zinc/64/28/78/1035642878.db2.gz BZSMTIATLNFOOS-UHFFFAOYSA-N 0 3 327.424 3.699 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC4(CCCC4)C3)c2c1 ZINC000164498037 1035642896 /nfs/dbraw/zinc/64/28/96/1035642896.db2.gz BZSMTIATLNFOOS-UHFFFAOYSA-N 0 3 327.424 3.699 20 10 EHCDHN COc1ccc(CN[C@@H]2CCCOc3c(F)cccc32)c(O)c1OC ZINC000893403470 1041734097 /nfs/dbraw/zinc/73/40/97/1041734097.db2.gz ZKSKDGDZBITFEE-OAHLLOKOSA-N 0 3 347.386 3.552 20 10 EHCDHN COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCCC1 ZINC000183378328 1125542576 /nfs/dbraw/zinc/54/25/76/1125542576.db2.gz SUHVTOKQPSJWRG-APWZRJJASA-N 0 3 340.467 3.889 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1cc(F)ccc1[O-] ZINC000184987281 1126728654 /nfs/dbraw/zinc/72/86/54/1126728654.db2.gz PRWXWBDEIYQAIR-CQSZACIVSA-N 0 3 325.387 3.627 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185204175 1126823730 /nfs/dbraw/zinc/82/37/30/1126823730.db2.gz AHINIZGUXQJVGF-CQSZACIVSA-N 0 3 336.357 3.780 20 10 EHCDHN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000765290329 1127592360 /nfs/dbraw/zinc/59/23/60/1127592360.db2.gz IWSZWTDTFUXADP-CJNGLKHVSA-N 0 3 330.394 3.641 20 10 EHCDHN Oc1cc2c(cc1CN[C@H]1CCSc3ccc(F)cc31)OCO2 ZINC000238140477 1121504028 /nfs/dbraw/zinc/50/40/28/1121504028.db2.gz PJERYALMEBBYDD-ZDUSSCGKSA-N 0 3 333.384 3.587 20 10 EHCDHN CCN(CC)c1ccc(CNCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000920957009 1123442700 /nfs/dbraw/zinc/44/27/00/1123442700.db2.gz RMXBDLJWQQZBPY-UHFFFAOYSA-N 0 3 347.409 3.539 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1C ZINC000068706184 1124003491 /nfs/dbraw/zinc/00/34/91/1124003491.db2.gz ZXRASSJTDPPOGB-INIZCTEOSA-N 0 3 338.451 3.981 20 10 EHCDHN CC[C@H](NCc1cc2c(cc1O)OCO2)c1cc(F)ccc1OC ZINC000922624264 1129600838 /nfs/dbraw/zinc/60/08/38/1129600838.db2.gz XPKOIQCYNQEJIT-AWEZNQCLSA-N 0 3 333.359 3.510 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CCCC1 ZINC000732204969 1130899963 /nfs/dbraw/zinc/89/99/63/1130899963.db2.gz WNPVRECVQJONAE-FQEVSTJZSA-N 0 3 325.452 3.740 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cc1ccccc1)C1CCCC1 ZINC000732204969 1130899967 /nfs/dbraw/zinc/89/99/67/1130899967.db2.gz WNPVRECVQJONAE-FQEVSTJZSA-N 0 3 325.452 3.740 20 10 EHCDHN C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073983 1131955672 /nfs/dbraw/zinc/95/56/72/1131955672.db2.gz FSGXZMSSUFJIFF-GDBMZVCRSA-N 0 3 346.471 3.538 20 10 EHCDHN C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073983 1131955675 /nfs/dbraw/zinc/95/56/75/1131955675.db2.gz FSGXZMSSUFJIFF-GDBMZVCRSA-N 0 3 346.471 3.538 20 10 EHCDHN Cc1cnccc1Nc1ccc(OCCCOc2ccc(N)cc2)cc1 ZINC001174539420 1132387332 /nfs/dbraw/zinc/38/73/32/1132387332.db2.gz KZKIGEQRGNMJGI-UHFFFAOYSA-N 0 3 349.434 3.986 20 10 EHCDHN C[C@H](NCc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC001168801151 1132561667 /nfs/dbraw/zinc/56/16/67/1132561667.db2.gz MCHQONPPBUMFLX-AWEZNQCLSA-N 0 3 332.394 3.652 20 10 EHCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c[nH]1 ZINC000768134293 1133100977 /nfs/dbraw/zinc/10/09/77/1133100977.db2.gz RUHWFXWVOMMBFU-UHFFFAOYSA-N 0 3 342.439 3.842 20 10 EHCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c[nH]1 ZINC000768134293 1133100983 /nfs/dbraw/zinc/10/09/83/1133100983.db2.gz RUHWFXWVOMMBFU-UHFFFAOYSA-N 0 3 342.439 3.842 20 10 EHCDHN COc1cc(C)c(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1OC ZINC000768196290 1133112467 /nfs/dbraw/zinc/11/24/67/1133112467.db2.gz AQMBEFXCGYBWHY-UHFFFAOYSA-N 0 3 346.446 3.849 20 10 EHCDHN CCCN(Cc1ccccc1F)Cc1cc(OC)c(OC)cc1O ZINC000768438944 1133137847 /nfs/dbraw/zinc/13/78/47/1133137847.db2.gz BVQBQOWFXAVMHS-UHFFFAOYSA-N 0 3 333.403 3.961 20 10 EHCDHN CC(C)[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440306 1133138861 /nfs/dbraw/zinc/13/88/61/1133138861.db2.gz VNLCHGYMHLSALO-SFHVURJKSA-N 0 3 347.842 3.882 20 10 EHCDHN CC(C)[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440306 1133138866 /nfs/dbraw/zinc/13/88/66/1133138866.db2.gz VNLCHGYMHLSALO-SFHVURJKSA-N 0 3 347.842 3.882 20 10 EHCDHN CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463477 1133144287 /nfs/dbraw/zinc/14/42/87/1133144287.db2.gz UQBIPOIAGRJARU-CTNGQTDRSA-N 0 3 339.435 3.573 20 10 EHCDHN CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463477 1133144290 /nfs/dbraw/zinc/14/42/90/1133144290.db2.gz UQBIPOIAGRJARU-CTNGQTDRSA-N 0 3 339.435 3.573 20 10 EHCDHN Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768462129 1133144421 /nfs/dbraw/zinc/14/44/21/1133144421.db2.gz JVBMPCMYSKXUOU-ICSRJNTNSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1 ZINC000768462129 1133144422 /nfs/dbraw/zinc/14/44/22/1133144422.db2.gz JVBMPCMYSKXUOU-ICSRJNTNSA-N 0 3 339.435 3.772 20 10 EHCDHN C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519740 1133148523 /nfs/dbraw/zinc/14/85/23/1133148523.db2.gz WKLRQAKABCKZGA-AEFFLSMTSA-N 0 3 341.451 3.564 20 10 EHCDHN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519740 1133148526 /nfs/dbraw/zinc/14/85/26/1133148526.db2.gz WKLRQAKABCKZGA-AEFFLSMTSA-N 0 3 341.451 3.564 20 10 EHCDHN CCCCN1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691462270 1133152077 /nfs/dbraw/zinc/15/20/77/1133152077.db2.gz MAFYWHIQGDWSPV-UHFFFAOYSA-N 0 3 341.293 3.509 20 10 EHCDHN COc1ccccc1CN(Cc1cc(C)ccc1O)C[C@H]1CCCO1 ZINC000768754088 1133177974 /nfs/dbraw/zinc/17/79/74/1133177974.db2.gz PEDXPTKSTVGGKE-LJQANCHMSA-N 0 3 341.451 3.890 20 10 EHCDHN CCC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000768930844 1133206034 /nfs/dbraw/zinc/20/60/34/1133206034.db2.gz CEFMOHDMIMUIAB-UHFFFAOYSA-N 0 3 328.250 3.785 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000769459321 1133295484 /nfs/dbraw/zinc/29/54/84/1133295484.db2.gz CSQLKQBBEGOAOP-GOSISDBHSA-N 0 3 326.440 3.804 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000769459321 1133295488 /nfs/dbraw/zinc/29/54/88/1133295488.db2.gz CSQLKQBBEGOAOP-GOSISDBHSA-N 0 3 326.440 3.804 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000770288866 1133405716 /nfs/dbraw/zinc/40/57/16/1133405716.db2.gz CFBXGJFVHSLHRQ-BBRMVZONSA-N 0 3 333.453 3.550 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000770288866 1133405718 /nfs/dbraw/zinc/40/57/18/1133405718.db2.gz CFBXGJFVHSLHRQ-BBRMVZONSA-N 0 3 333.453 3.550 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000770291784 1133407269 /nfs/dbraw/zinc/40/72/69/1133407269.db2.gz MFFCSADASNZPTC-YJBOKZPZSA-N 0 3 347.480 3.941 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000770291784 1133407274 /nfs/dbraw/zinc/40/72/74/1133407274.db2.gz MFFCSADASNZPTC-YJBOKZPZSA-N 0 3 347.480 3.941 20 10 EHCDHN C[C@H](c1ccccc1Cl)N1CCN(Cc2ccccc2O)CC1 ZINC000770510135 1133435693 /nfs/dbraw/zinc/43/56/93/1133435693.db2.gz YIWQUKSJXVSYPN-OAHLLOKOSA-N 0 3 330.859 3.924 20 10 EHCDHN CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C12CCC2 ZINC001182249269 1133602096 /nfs/dbraw/zinc/60/20/96/1133602096.db2.gz FEQDYNUYKDKXNZ-KBPBESRZSA-N 0 3 340.261 3.510 20 10 EHCDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774482392 1133687780 /nfs/dbraw/zinc/68/77/80/1133687780.db2.gz KESSJZXAMSTZRB-JFIYKMOQSA-N 0 3 331.504 3.583 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000788564231 1134143281 /nfs/dbraw/zinc/14/32/81/1134143281.db2.gz TWZALDMXNTYMLZ-RDJZCZTQSA-N 0 3 331.431 3.650 20 10 EHCDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789568110 1134297255 /nfs/dbraw/zinc/29/72/55/1134297255.db2.gz WOXCVTNVYOOLNO-NRFANRHFSA-N 0 3 341.451 3.708 20 10 EHCDHN CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000789568110 1134297258 /nfs/dbraw/zinc/29/72/58/1134297258.db2.gz WOXCVTNVYOOLNO-NRFANRHFSA-N 0 3 341.451 3.708 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCOC(F)(F)F ZINC000789581420 1134298646 /nfs/dbraw/zinc/29/86/46/1134298646.db2.gz QSBSUZFKEGOIBV-UHFFFAOYSA-N 0 3 341.329 3.597 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c1[O-] ZINC000789777702 1134333701 /nfs/dbraw/zinc/33/37/01/1134333701.db2.gz AWHXESKUPVXRNU-MJGOQNOKSA-N 0 3 349.858 3.902 20 10 EHCDHN CCc1cc(CN(C)Cc2cnn(C)c2C)c(O)c(C(C)(C)C)c1 ZINC000790418278 1134414571 /nfs/dbraw/zinc/41/45/71/1134414571.db2.gz UDKRXYBRMNDBIL-UHFFFAOYSA-N 0 3 329.488 3.926 20 10 EHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)Nc1cccnc1 ZINC000792231594 1134669602 /nfs/dbraw/zinc/66/96/02/1134669602.db2.gz KSIHQDGYKYJJDI-UHFFFAOYSA-N 0 3 339.439 3.561 20 10 EHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)Nc1cccnc1 ZINC000792231594 1134669607 /nfs/dbraw/zinc/66/96/07/1134669607.db2.gz KSIHQDGYKYJJDI-UHFFFAOYSA-N 0 3 339.439 3.561 20 10 EHCDHN Cc1ccccc1-n1nccc1CNCc1ccc(N(C)C)cc1C ZINC000792977823 1134831748 /nfs/dbraw/zinc/83/17/48/1134831748.db2.gz PHNUBZUYLSDBFE-UHFFFAOYSA-N 0 3 334.467 3.845 20 10 EHCDHN CC(C)(C)N1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000747100357 1134850014 /nfs/dbraw/zinc/85/00/14/1134850014.db2.gz YUEUXANBVIBZNN-GOSISDBHSA-N 0 3 338.451 3.548 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000775501251 1134962558 /nfs/dbraw/zinc/96/25/58/1134962558.db2.gz DMIGANRBYWNHBN-PBHICJAKSA-N 0 3 332.394 3.990 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000775501254 1134963101 /nfs/dbraw/zinc/96/31/01/1134963101.db2.gz DMIGANRBYWNHBN-YOEHRIQHSA-N 0 3 332.394 3.990 20 10 EHCDHN CCC[N@H+](CCc1ccccc1C(=O)OC)Cc1ccccc1[O-] ZINC000775609641 1135313726 /nfs/dbraw/zinc/31/37/26/1135313726.db2.gz AYKNPDJCZCLSEH-UHFFFAOYSA-N 0 3 327.424 3.634 20 10 EHCDHN CCC[N@@H+](CCc1ccccc1C(=O)OC)Cc1ccccc1[O-] ZINC000775609641 1135313732 /nfs/dbraw/zinc/31/37/32/1135313732.db2.gz AYKNPDJCZCLSEH-UHFFFAOYSA-N 0 3 327.424 3.634 20 10 EHCDHN CN(C)C1(C)CN(C(=O)c2ccccc2NN=C2C=CC(=O)C=C2)C1 ZINC001195265967 1135401677 /nfs/dbraw/zinc/40/16/77/1135401677.db2.gz NZSRIUVCBXPFQW-QZQOTICOSA-N 0 3 338.411 3.584 20 10 EHCDHN COc1ccc(O)c(CN(C)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000775738048 1135600486 /nfs/dbraw/zinc/60/04/86/1135600486.db2.gz QOMZEXGQQLKYHH-UHFFFAOYSA-N 0 3 341.329 3.931 20 10 EHCDHN COCCCN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808689806 1135711601 /nfs/dbraw/zinc/71/16/01/1135711601.db2.gz GTARHHRBYNRYEP-CQSZACIVSA-N 0 3 340.895 3.506 20 10 EHCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808679564 1135716105 /nfs/dbraw/zinc/71/61/05/1135716105.db2.gz SWVKLAXLTLYLPN-AWEZNQCLSA-N 0 3 346.858 3.743 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])[C@@]12CCCO2 ZINC000808713555 1135719010 /nfs/dbraw/zinc/71/90/10/1135719010.db2.gz IUELDDOTJYKOHY-PTOXDTDZSA-N 0 3 339.863 3.731 20 10 EHCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716040 1135719526 /nfs/dbraw/zinc/71/95/26/1135719526.db2.gz QLKRGDBNHHRGET-RHSMWYFYSA-N 0 3 333.859 3.917 20 10 EHCDHN Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808714996 1135719930 /nfs/dbraw/zinc/71/99/30/1135719930.db2.gz GKSWWTGDTRVDDQ-RHSMWYFYSA-N 0 3 333.859 3.917 20 10 EHCDHN CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809767385 1135879543 /nfs/dbraw/zinc/87/95/43/1135879543.db2.gz JQQSMZPROFLMJX-IBGZPJMESA-N 0 3 343.467 3.810 20 10 EHCDHN CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809767385 1135879544 /nfs/dbraw/zinc/87/95/44/1135879544.db2.gz JQQSMZPROFLMJX-IBGZPJMESA-N 0 3 343.467 3.810 20 10 EHCDHN CN(C)c1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC001203934639 1135903221 /nfs/dbraw/zinc/90/32/21/1135903221.db2.gz YGMLBUVXMBFHHH-UHFFFAOYSA-N 0 3 328.431 3.935 20 10 EHCDHN COc1cc(O)c(CNC2(c3ccc(Cl)cc3)CC2)cc1OC ZINC000776173628 1136021242 /nfs/dbraw/zinc/02/12/42/1136021242.db2.gz ALXXMBDRYHHHOS-UHFFFAOYSA-N 0 3 333.815 3.842 20 10 EHCDHN COc1ccc([C@H](CCO)NCc2c(C)c3ccccc3n2C)cc1 ZINC001201851088 1136066831 /nfs/dbraw/zinc/06/68/31/1136066831.db2.gz RIGLCADKJIBEHS-IBGZPJMESA-N 0 3 338.451 3.709 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776293810 1136144888 /nfs/dbraw/zinc/14/48/88/1136144888.db2.gz OASFSYWRZXCMGB-LJQANCHMSA-N 0 3 333.431 3.989 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776293810 1136144891 /nfs/dbraw/zinc/14/48/91/1136144891.db2.gz OASFSYWRZXCMGB-LJQANCHMSA-N 0 3 333.431 3.989 20 10 EHCDHN COc1cc(CNCc2cnn3ccccc23)c(O)c(C(C)(C)C)c1 ZINC000850294965 1136232167 /nfs/dbraw/zinc/23/21/67/1136232167.db2.gz QQQDEMAYTKFIAW-UHFFFAOYSA-N 0 3 339.439 3.636 20 10 EHCDHN CC[C@@](C)([NH2+]Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850383593 1136246696 /nfs/dbraw/zinc/24/66/96/1136246696.db2.gz IEXJLLZALUTJBY-OAHLLOKOSA-N 0 3 328.250 3.832 20 10 EHCDHN CC(=O)NCc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000850484335 1136268113 /nfs/dbraw/zinc/26/81/13/1136268113.db2.gz HDOSJGNWKGBLSP-YVEFUNNKSA-N 0 3 342.414 3.506 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850579983 1136291990 /nfs/dbraw/zinc/29/19/90/1136291990.db2.gz DZRWXKYMMWROQG-GOEBONIOSA-N 0 3 325.330 3.584 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCOCc1ccccc1)C[C@H]1CCCO1 ZINC000851841697 1136413145 /nfs/dbraw/zinc/41/31/45/1136413145.db2.gz WRUXQMQGXGRMCY-HXUWFJFHSA-N 0 3 341.451 3.590 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCOCc1ccccc1)C[C@H]1CCCO1 ZINC000851841697 1136413149 /nfs/dbraw/zinc/41/31/49/1136413149.db2.gz WRUXQMQGXGRMCY-HXUWFJFHSA-N 0 3 341.451 3.590 20 10 EHCDHN CC1=C(C)C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686303 1136509303 /nfs/dbraw/zinc/50/93/03/1136509303.db2.gz GZBDBDZCJRDRJC-UYAOXDASSA-N 0 3 343.515 3.608 20 10 EHCDHN CSC[C@@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815583168 1136614804 /nfs/dbraw/zinc/61/48/04/1136614804.db2.gz YKFZXZVBWFOJOZ-MJGOQNOKSA-N 0 3 345.508 3.770 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000815618827 1136619821 /nfs/dbraw/zinc/61/98/21/1136619821.db2.gz VOIJSULAIVJJLW-UYAOXDASSA-N 0 3 347.462 3.867 20 10 EHCDHN C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984683 1136855557 /nfs/dbraw/zinc/85/55/57/1136855557.db2.gz XIEMKQXMGUPXQF-MWLCHTKSSA-N 0 3 347.684 3.601 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCCNC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984683 1136855561 /nfs/dbraw/zinc/85/55/61/1136855561.db2.gz XIEMKQXMGUPXQF-MWLCHTKSSA-N 0 3 347.684 3.601 20 10 EHCDHN CC(C)n1ncc2cc(CN[C@@H](C)c3ccc(N(C)C)cc3)cnc21 ZINC000776943183 1136880188 /nfs/dbraw/zinc/88/01/88/1136880188.db2.gz ZMKNQAQWOYVTCB-HNNXBMFYSA-N 0 3 337.471 3.929 20 10 EHCDHN Cc1cc(C(=O)NCCN2CCCCC2)c(C)n1-c1ccccc1C ZINC001136224095 1136940970 /nfs/dbraw/zinc/94/09/70/1136940970.db2.gz HXHMCOXKHUXCPX-UHFFFAOYSA-N 0 3 339.483 3.618 20 10 EHCDHN COc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)C2CC2)cn1 ZINC000858342735 1136960091 /nfs/dbraw/zinc/96/00/91/1136960091.db2.gz RXUGXYAOQYMNTQ-IBGZPJMESA-N 0 3 329.419 3.536 20 10 EHCDHN CC1(C)C[C@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000819901201 1136965791 /nfs/dbraw/zinc/96/57/91/1136965791.db2.gz VDHKWDOPKQEJSL-MJGOQNOKSA-N 0 3 339.435 3.791 20 10 EHCDHN CC1(C)C[C@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000819901201 1136965794 /nfs/dbraw/zinc/96/57/94/1136965794.db2.gz VDHKWDOPKQEJSL-MJGOQNOKSA-N 0 3 339.435 3.791 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3nc(C)cs3)C2)cc1 ZINC000858427376 1136967027 /nfs/dbraw/zinc/96/70/27/1136967027.db2.gz FOPYFRFXWCYJST-HUUCEWRRSA-N 0 3 331.485 3.637 20 10 EHCDHN CC(=O)N(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000858495363 1136973449 /nfs/dbraw/zinc/97/34/49/1136973449.db2.gz CCMIRQVBQGIOSM-SJKOYZFVSA-N 0 3 342.414 3.852 20 10 EHCDHN Cc1ccc(NC(=O)CNCc2cc(C)c(C)cc2O)c(Cl)c1 ZINC000822489397 1137059745 /nfs/dbraw/zinc/05/97/45/1137059745.db2.gz CFAGPYDRUUUYAX-UHFFFAOYSA-N 0 3 332.831 3.699 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cc2cccnc2o1)C[C@@H]1CCCO1 ZINC000823386745 1137097520 /nfs/dbraw/zinc/09/75/20/1137097520.db2.gz LMMTVRPACDYPND-KRWDZBQOSA-N 0 3 338.407 3.715 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cc2cccnc2o1)C[C@@H]1CCCO1 ZINC000823386745 1137097522 /nfs/dbraw/zinc/09/75/22/1137097522.db2.gz LMMTVRPACDYPND-KRWDZBQOSA-N 0 3 338.407 3.715 20 10 EHCDHN COc1cc(F)cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000823386715 1137097631 /nfs/dbraw/zinc/09/76/31/1137097631.db2.gz KSDVHNDLHDQRJE-SFHVURJKSA-N 0 3 345.414 3.721 20 10 EHCDHN C[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409138 1137098922 /nfs/dbraw/zinc/09/89/22/1137098922.db2.gz VMCZVMVFONNZHT-HZPDHXFCSA-N 0 3 348.487 3.860 20 10 EHCDHN C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409138 1137098924 /nfs/dbraw/zinc/09/89/24/1137098924.db2.gz VMCZVMVFONNZHT-HZPDHXFCSA-N 0 3 348.487 3.860 20 10 EHCDHN CCCC[N@H+](Cc1cccc(C(=O)OCC)n1)Cc1ccccc1[O-] ZINC000862355546 1137139747 /nfs/dbraw/zinc/13/97/47/1137139747.db2.gz KPUJHIHCRVOKGF-UHFFFAOYSA-N 0 3 342.439 3.766 20 10 EHCDHN CCCC[N@@H+](Cc1cccc(C(=O)OCC)n1)Cc1ccccc1[O-] ZINC000862355546 1137139749 /nfs/dbraw/zinc/13/97/49/1137139749.db2.gz KPUJHIHCRVOKGF-UHFFFAOYSA-N 0 3 342.439 3.766 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000862485147 1137146632 /nfs/dbraw/zinc/14/66/32/1137146632.db2.gz HXGADADCMIDJSX-YOEHRIQHSA-N 0 3 349.471 3.591 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000862485147 1137146633 /nfs/dbraw/zinc/14/66/33/1137146633.db2.gz HXGADADCMIDJSX-YOEHRIQHSA-N 0 3 349.471 3.591 20 10 EHCDHN Cc1cc(Br)cc(CN[C@@H](C)c2ccns2)c1O ZINC000862540045 1137148685 /nfs/dbraw/zinc/14/86/85/1137148685.db2.gz XZBOBEQQMYRGRU-VIFPVBQESA-N 0 3 327.247 3.770 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccns2)c1[O-] ZINC000862540045 1137148687 /nfs/dbraw/zinc/14/86/87/1137148687.db2.gz XZBOBEQQMYRGRU-VIFPVBQESA-N 0 3 327.247 3.770 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000844758653 1137250276 /nfs/dbraw/zinc/25/02/76/1137250276.db2.gz XAKYUDYORSDXGJ-GOSISDBHSA-N 0 3 347.361 3.563 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000844758653 1137250277 /nfs/dbraw/zinc/25/02/77/1137250277.db2.gz XAKYUDYORSDXGJ-GOSISDBHSA-N 0 3 347.361 3.563 20 10 EHCDHN CC[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(C)cc1[O-] ZINC000794810122 1137259588 /nfs/dbraw/zinc/25/95/88/1137259588.db2.gz JLIZCFGZDOIBBL-SFHVURJKSA-N 0 3 332.488 3.828 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794813730 1137262424 /nfs/dbraw/zinc/26/24/24/1137262424.db2.gz IWWOGRKBQJFHIZ-HNAYVOBHSA-N 0 3 349.421 3.871 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000794818520 1137265358 /nfs/dbraw/zinc/26/53/58/1137265358.db2.gz XIPTYYJSUBIPCL-BQFCYCMXSA-N 0 3 348.487 3.998 20 10 EHCDHN C[C@@H](NCc1ccc(C(F)F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000865431897 1137283092 /nfs/dbraw/zinc/28/30/92/1137283092.db2.gz MRHGCDYILRWNBO-CQSZACIVSA-N 0 3 347.409 3.707 20 10 EHCDHN Brc1ncccc1CNCCCSc1nccs1 ZINC000865469360 1137286640 /nfs/dbraw/zinc/28/66/40/1137286640.db2.gz VCCIOQISFPMYBF-UHFFFAOYSA-N 0 3 344.303 3.573 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016127 1137326275 /nfs/dbraw/zinc/32/62/75/1137326275.db2.gz SCNMAHAMVNWHPU-UHFFFAOYSA-N 0 3 330.369 3.927 20 10 EHCDHN CC[C@@H](C)OCC[C@@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001172345961 1137552921 /nfs/dbraw/zinc/55/29/21/1137552921.db2.gz HTVSWILQIFFTAX-QZTJIDSGSA-N 0 3 334.504 3.719 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000873152226 1137591463 /nfs/dbraw/zinc/59/14/63/1137591463.db2.gz ZZZROSAZEQSSDZ-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)c([O-])c1 ZINC000825753390 1137627007 /nfs/dbraw/zinc/62/70/07/1137627007.db2.gz QWTSLKVXQHDQHL-UHFFFAOYSA-N 0 3 345.439 3.702 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000877167551 1137672093 /nfs/dbraw/zinc/67/20/93/1137672093.db2.gz BZVTXHWFUPBGBF-UHFFFAOYSA-N 0 3 339.361 3.753 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)c([O-])c1 ZINC000877548725 1137680761 /nfs/dbraw/zinc/68/07/61/1137680761.db2.gz AAJAXXAUEVVYFU-HNNXBMFYSA-N 0 3 340.423 3.898 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000877664933 1137684870 /nfs/dbraw/zinc/68/48/70/1137684870.db2.gz YQYSNASVVYKECN-HNNXBMFYSA-N 0 3 327.758 3.537 20 10 EHCDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755957 1137688214 /nfs/dbraw/zinc/68/82/14/1137688214.db2.gz UVTUIHCWIKUILK-RDBSUJKOSA-N 0 3 341.398 3.800 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000877783701 1137689629 /nfs/dbraw/zinc/68/96/29/1137689629.db2.gz DHZOYZTZMPYBCW-CQSZACIVSA-N 0 3 329.444 3.627 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000877783701 1137689630 /nfs/dbraw/zinc/68/96/30/1137689630.db2.gz DHZOYZTZMPYBCW-CQSZACIVSA-N 0 3 329.444 3.627 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1[O-] ZINC000877814012 1137691101 /nfs/dbraw/zinc/69/11/01/1137691101.db2.gz MNUCUJJLVORQNS-NSHDSACASA-N 0 3 338.860 3.809 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c1[O-] ZINC000877814012 1137691102 /nfs/dbraw/zinc/69/11/02/1137691102.db2.gz MNUCUJJLVORQNS-NSHDSACASA-N 0 3 338.860 3.809 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)c1ccccc1 ZINC000877832696 1137692696 /nfs/dbraw/zinc/69/26/96/1137692696.db2.gz PQEUSQNNYAKVJW-RDJZCZTQSA-N 0 3 335.831 3.656 20 10 EHCDHN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000826020625 1137701319 /nfs/dbraw/zinc/70/13/19/1137701319.db2.gz VIGXAYUHJUAMJP-HXUWFJFHSA-N 0 3 339.483 3.581 20 10 EHCDHN C[C@@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1[O-] ZINC000879648754 1137753578 /nfs/dbraw/zinc/75/35/78/1137753578.db2.gz CMQCIXJWOKNPJQ-GFCCVEGCSA-N 0 3 329.425 3.787 20 10 EHCDHN CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649052 1137753609 /nfs/dbraw/zinc/75/36/09/1137753609.db2.gz KMLNLKZILKPDOC-CHWSQXEVSA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@H](NCC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccccc1O ZINC000879649739 1137753708 /nfs/dbraw/zinc/75/37/08/1137753708.db2.gz FOWXBTMWNABSAH-RWMBFGLXSA-N 0 3 329.362 3.981 20 10 EHCDHN C[C@H]([NH2+]CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccccc1[O-] ZINC000879649739 1137753709 /nfs/dbraw/zinc/75/37/09/1137753709.db2.gz FOWXBTMWNABSAH-RWMBFGLXSA-N 0 3 329.362 3.981 20 10 EHCDHN COC1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3[O-])cc2)CC1 ZINC000879650102 1137753727 /nfs/dbraw/zinc/75/37/27/1137753727.db2.gz ISPMATWDQJUSHG-INIZCTEOSA-N 0 3 340.467 3.858 20 10 EHCDHN CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879649978 1137753883 /nfs/dbraw/zinc/75/38/83/1137753883.db2.gz WGNDJKMNDBVCKF-VLIAUNLRSA-N 0 3 344.430 3.695 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000880569066 1137781360 /nfs/dbraw/zinc/78/13/60/1137781360.db2.gz HISCAKANJMLLGW-OAQYLSRUSA-N 0 3 334.467 3.870 20 10 EHCDHN COc1cc(F)cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000090972014 1138214446 /nfs/dbraw/zinc/21/44/46/1138214446.db2.gz LPOMINWMNLCUMN-HNNXBMFYSA-N 0 3 344.430 3.522 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179884609 1139790342 /nfs/dbraw/zinc/79/03/42/1139790342.db2.gz NOBCENWLFMLIES-WFASDCNBSA-N 0 3 330.815 3.502 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000179898629 1139791297 /nfs/dbraw/zinc/79/12/97/1139791297.db2.gz RNPZSMPPZDAQEW-UHFFFAOYSA-N 0 3 325.387 3.787 20 10 EHCDHN O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180057862 1139805666 /nfs/dbraw/zinc/80/56/66/1139805666.db2.gz HZAXMUSVLVCWIN-UHFFFAOYSA-N 0 3 346.377 3.521 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000180062444 1139806752 /nfs/dbraw/zinc/80/67/52/1139806752.db2.gz FKTOSFPSNCEWHL-AWEZNQCLSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000183451702 1140038672 /nfs/dbraw/zinc/03/86/72/1140038672.db2.gz OCMWPCFSVVQSJW-KBPBESRZSA-N 0 3 326.396 3.761 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000185160053 1140138066 /nfs/dbraw/zinc/13/80/66/1140138066.db2.gz XIPHEARHAJYNDS-STQMWFEESA-N 0 3 344.386 3.900 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000188525714 1140299817 /nfs/dbraw/zinc/29/98/17/1140299817.db2.gz KWQFAMGWGMKHIV-ZDUSSCGKSA-N 0 3 330.394 3.626 20 10 EHCDHN CC[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000268755739 1140983692 /nfs/dbraw/zinc/98/36/92/1140983692.db2.gz LOPNIFGDRKNSLU-HXUWFJFHSA-N 0 3 339.483 3.695 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(F)c1 ZINC000268805330 1140996295 /nfs/dbraw/zinc/99/62/95/1140996295.db2.gz CGHUIPKGNDTBLQ-MRXNPFEDSA-N 0 3 342.458 3.885 20 10 EHCDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccncc1 ZINC000271050825 1141300059 /nfs/dbraw/zinc/30/00/59/1141300059.db2.gz AJMVJQOJOABRAO-OWCLPIDISA-N 0 3 343.446 3.685 20 10 EHCDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000271456289 1141371809 /nfs/dbraw/zinc/37/18/09/1141371809.db2.gz GVEGGJDBABLNDJ-CZUORRHYSA-N 0 3 330.394 3.641 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(Br)ccc1[O-] ZINC000037644084 522855586 /nfs/dbraw/zinc/85/55/86/522855586.db2.gz RHZLUOHKCQRDTP-SWLSCSKDSA-N 0 3 341.293 3.537 20 10 EHCDHN Cn1cc(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000274858031 1015496506 /nfs/dbraw/zinc/49/65/06/1015496506.db2.gz AVEWOSRGDWUAIR-HXUWFJFHSA-N 0 3 335.451 3.632 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccccc1[O-] ZINC000155068003 1016106243 /nfs/dbraw/zinc/10/62/43/1016106243.db2.gz MNQFTECAWMNFFX-SUMWQHHRSA-N 0 3 327.424 3.965 20 10 EHCDHN CC[C@@H](NCc1c(OC)cc(OC)cc1OC)c1ccccc1O ZINC000155214154 1016308768 /nfs/dbraw/zinc/30/87/68/1016308768.db2.gz BCKURKJJWSFLBF-MRXNPFEDSA-N 0 3 331.412 3.659 20 10 EHCDHN CCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000275299913 1016335986 /nfs/dbraw/zinc/33/59/86/1016335986.db2.gz HUXWTRDRVQINFR-LBPRGKRZSA-N 0 3 341.293 3.598 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H](C)CO)c1[O-] ZINC000275340653 1016470252 /nfs/dbraw/zinc/47/02/52/1016470252.db2.gz OSUUYXWBDDUOAJ-PWSUYJOCSA-N 0 3 330.266 3.522 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCOC2)c1[O-] ZINC000275369375 1016590160 /nfs/dbraw/zinc/59/01/60/1016590160.db2.gz VISYRMABBITGCL-NWDGAFQWSA-N 0 3 328.250 3.540 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000183517960 1032178573 /nfs/dbraw/zinc/17/85/73/1032178573.db2.gz NBFLHXFGWPGEOC-KBPBESRZSA-N 0 3 348.393 3.923 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185134586 1032354142 /nfs/dbraw/zinc/35/41/42/1032354142.db2.gz KCKVNPARYRDCGT-LBPRGKRZSA-N 0 3 329.350 3.707 20 10 EHCDHN COc1cc(C)cc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1O ZINC000894206600 1019197161 /nfs/dbraw/zinc/19/71/61/1019197161.db2.gz GTTCVNPYKBPNTE-IEBWSBKVSA-N 0 3 345.414 3.858 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000280138127 1020104025 /nfs/dbraw/zinc/10/40/25/1020104025.db2.gz PLTFMIMGCRTWML-GUYCJALGSA-N 0 3 327.428 3.993 20 10 EHCDHN CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000187700084 1020328464 /nfs/dbraw/zinc/32/84/64/1020328464.db2.gz IEUQXROQYSTUGR-LSDHHAIUSA-N 0 3 334.460 3.608 20 10 EHCDHN COCCOC[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093754634 1032902535 /nfs/dbraw/zinc/90/25/35/1032902535.db2.gz LJWTYEKXPLDQCE-KRWDZBQOSA-N 0 3 341.451 3.544 20 10 EHCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093754634 1032902551 /nfs/dbraw/zinc/90/25/51/1032902551.db2.gz LJWTYEKXPLDQCE-KRWDZBQOSA-N 0 3 341.451 3.544 20 10 EHCDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000177934280 1020497124 /nfs/dbraw/zinc/49/71/24/1020497124.db2.gz LOUSCMJMGOIQKC-ZDUSSCGKSA-N 0 3 331.847 3.695 20 10 EHCDHN COc1cc(CN(Cc2cc(C)cc(OC)c2O)C2CC2)ccc1O ZINC000894490471 1022398382 /nfs/dbraw/zinc/39/83/82/1022398382.db2.gz DNICTJHDAWBSQW-UHFFFAOYSA-N 0 3 343.423 3.588 20 10 EHCDHN COc1cc(C)cc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1O ZINC000895056897 1022871005 /nfs/dbraw/zinc/87/10/05/1022871005.db2.gz FWPNBCJOZRUUGF-SJLPKXTDSA-N 0 3 347.842 3.671 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CCCC1 ZINC000093319324 1023473207 /nfs/dbraw/zinc/47/32/07/1023473207.db2.gz GOTTYAGJHFUJDC-UHFFFAOYSA-N 0 3 348.450 3.918 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CCCC1 ZINC000093319324 1023473215 /nfs/dbraw/zinc/47/32/15/1023473215.db2.gz GOTTYAGJHFUJDC-UHFFFAOYSA-N 0 3 348.450 3.918 20 10 EHCDHN CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000176169229 1023777960 /nfs/dbraw/zinc/77/79/60/1023777960.db2.gz YBQSRIUQUFAXFG-OAHLLOKOSA-N 0 3 327.424 3.709 20 10 EHCDHN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000176169229 1023777965 /nfs/dbraw/zinc/77/79/65/1023777965.db2.gz YBQSRIUQUFAXFG-OAHLLOKOSA-N 0 3 327.424 3.709 20 10 EHCDHN Cn1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1C1CC1 ZINC000892011964 1024330124 /nfs/dbraw/zinc/33/01/24/1024330124.db2.gz JATOOBWCXVQCGD-UHFFFAOYSA-N 0 3 325.456 3.948 20 10 EHCDHN Cn1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1C1CC1 ZINC000892011964 1024330141 /nfs/dbraw/zinc/33/01/41/1024330141.db2.gz JATOOBWCXVQCGD-UHFFFAOYSA-N 0 3 325.456 3.948 20 10 EHCDHN COc1ccc(CNCc2cc3cc(C)ccc3o2)c(O)c1OC ZINC000895373823 1024418543 /nfs/dbraw/zinc/41/85/43/1024418543.db2.gz PAQINONVVOGKGA-UHFFFAOYSA-N 0 3 327.380 3.754 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@@H+]2Cc3cccc([O-])c3C2)C1 ZINC000895784199 1024828949 /nfs/dbraw/zinc/82/89/49/1024828949.db2.gz DWZXWMWKVACDRS-FQEVSTJZSA-N 0 3 346.471 3.745 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2Cc3cccc([O-])c3C2)C1 ZINC000895784199 1024828973 /nfs/dbraw/zinc/82/89/73/1024828973.db2.gz DWZXWMWKVACDRS-FQEVSTJZSA-N 0 3 346.471 3.745 20 10 EHCDHN COc1cc(O)c(CNC(C)(C)c2ccc(F)cc2F)cc1OC ZINC000895853367 1024911943 /nfs/dbraw/zinc/91/19/43/1024911943.db2.gz DBYBDJIJRJOKRF-UHFFFAOYSA-N 0 3 337.366 3.713 20 10 EHCDHN COc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c([O-])c1 ZINC000092093410 1025317729 /nfs/dbraw/zinc/31/77/29/1025317729.db2.gz IKDXXWBSCABYCO-UHFFFAOYSA-N 0 3 349.377 3.722 20 10 EHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000192789816 1026343258 /nfs/dbraw/zinc/34/32/58/1026343258.db2.gz CRXSCSQIMUKQFQ-OLZOCXBDSA-N 0 3 331.412 3.830 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000897269457 1026620719 /nfs/dbraw/zinc/62/07/19/1026620719.db2.gz GFKBPWFYHMCEHE-CQSZACIVSA-N 0 3 339.863 3.693 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000897269457 1026620722 /nfs/dbraw/zinc/62/07/22/1026620722.db2.gz GFKBPWFYHMCEHE-CQSZACIVSA-N 0 3 339.863 3.693 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](C)c2cnn(CC3CCC3)c2)cc1 ZINC000934559935 1026800265 /nfs/dbraw/zinc/80/02/65/1026800265.db2.gz UWHWKUYXPRQZCK-INIZCTEOSA-N 0 3 326.488 3.990 20 10 EHCDHN COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc(OC)c1OC ZINC000272871482 1027155171 /nfs/dbraw/zinc/15/51/71/1027155171.db2.gz OVRHNFNLRSIUQI-OLZOCXBDSA-N 0 3 331.412 3.830 20 10 EHCDHN Cc1ccc([C@H](C)NCc2cn(C)nc2C(F)(F)F)c(O)c1C ZINC000273527242 1027475431 /nfs/dbraw/zinc/47/54/31/1027475431.db2.gz VPUHWTFGESWMNO-NSHDSACASA-N 0 3 327.350 3.612 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000359872331 1027861984 /nfs/dbraw/zinc/86/19/84/1027861984.db2.gz OSMCEVXXPSLTOJ-NBQZKYEYSA-N 0 3 328.431 3.875 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000729685764 1028779467 /nfs/dbraw/zinc/77/94/67/1028779467.db2.gz OIIKIUQBBFRJKS-OAQYLSRUSA-N 0 3 333.431 3.752 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CCCc2nccs2)c1[O-] ZINC000272003616 1029266756 /nfs/dbraw/zinc/26/67/56/1029266756.db2.gz WPMJGWNWQBXMCQ-UHFFFAOYSA-N 0 3 341.274 3.642 20 10 EHCDHN Cc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ccn1 ZINC000527658864 1031119767 /nfs/dbraw/zinc/11/97/67/1031119767.db2.gz CWEFWYTWMIRZCP-SFHVURJKSA-N 0 3 345.874 3.503 20 10 EHCDHN CCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@@H]1CCCCO1 ZINC000761193977 1034379485 /nfs/dbraw/zinc/37/94/85/1034379485.db2.gz NTNULQULLJGKQS-HNNXBMFYSA-N 0 3 327.852 3.835 20 10 EHCDHN CCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@@H]1CCCCO1 ZINC000761193977 1034379498 /nfs/dbraw/zinc/37/94/98/1034379498.db2.gz NTNULQULLJGKQS-HNNXBMFYSA-N 0 3 327.852 3.835 20 10 EHCDHN COc1cc(Cl)cc(C[NH+]2CCC(Cc3cccnc3)CC2)c1[O-] ZINC000761215437 1034579647 /nfs/dbraw/zinc/57/96/47/1034579647.db2.gz PUOIJIZJMCOWJI-UHFFFAOYSA-N 0 3 346.858 3.904 20 10 EHCDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)cc(C(C)(C)C)c3O)[C@H]2C1 ZINC000165224817 1036338718 /nfs/dbraw/zinc/33/87/18/1036338718.db2.gz ALIFKBKJRXDJOI-NEWSRXKRSA-N 0 3 347.499 3.766 20 10 EHCDHN CN(C)c1ccc(CNCc2cc(F)cc(Br)c2)cc1 ZINC000312254691 1037150093 /nfs/dbraw/zinc/15/00/93/1037150093.db2.gz LYMCOVFHWIRPFQ-UHFFFAOYSA-N 0 3 337.236 3.944 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c([O-])c1 ZINC000185151364 1039029555 /nfs/dbraw/zinc/02/95/55/1039029555.db2.gz WFICKJOXPIZBOV-LBPRGKRZSA-N 0 3 333.815 3.976 20 10 EHCDHN CC(C)c1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898450102 1039046545 /nfs/dbraw/zinc/04/65/45/1039046545.db2.gz NJPJTKLVHFQAPU-KRWDZBQOSA-N 0 3 346.544 3.725 20 10 EHCDHN Cc1nc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(C)s1 ZINC000898450431 1039048771 /nfs/dbraw/zinc/04/87/71/1039048771.db2.gz RIPSGSYACHRNAM-SCLBCKFNSA-N 0 3 346.544 3.779 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1ccc(C)cc1[O-] ZINC000279940443 1039589591 /nfs/dbraw/zinc/58/95/91/1039589591.db2.gz BEZNFNAVTUJKPR-GOSISDBHSA-N 0 3 332.488 3.778 20 10 EHCDHN Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc(F)c1F ZINC001143607667 1040997786 /nfs/dbraw/zinc/99/77/86/1040997786.db2.gz UYZSPGTXUPQJAB-UHFFFAOYSA-N 0 3 346.421 3.742 20 10 EHCDHN CCOc1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c([O-])c1 ZINC000760645269 1041038680 /nfs/dbraw/zinc/03/86/80/1041038680.db2.gz CTUCOEIKNTYIGX-UHFFFAOYSA-N 0 3 341.451 3.711 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(O)c1 ZINC000194856187 1041338307 /nfs/dbraw/zinc/33/83/07/1041338307.db2.gz IIZKMCJGYSCGIJ-OAHLLOKOSA-N 0 3 328.481 3.796 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000184885374 1126706980 /nfs/dbraw/zinc/70/69/80/1126706980.db2.gz CQSBNPDBXHMPGT-STQMWFEESA-N 0 3 326.375 3.524 20 10 EHCDHN CCOc1ncccc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184985783 1126728928 /nfs/dbraw/zinc/72/89/28/1126728928.db2.gz VZZAOKZNWVTYMQ-CQSZACIVSA-N 0 3 326.440 3.916 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1cc(F)ccc1[O-] ZINC000185017182 1126739048 /nfs/dbraw/zinc/73/90/48/1126739048.db2.gz RCODOZLMWMVYHJ-SNVBAGLBSA-N 0 3 344.308 3.718 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185204193 1126823651 /nfs/dbraw/zinc/82/36/51/1126823651.db2.gz AHINIZGUXQJVGF-AWEZNQCLSA-N 0 3 336.357 3.780 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185681045 1126982257 /nfs/dbraw/zinc/98/22/57/1126982257.db2.gz SMYPVUIQJIAVFY-UONOGXRCSA-N 0 3 332.394 3.908 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185681189 1126982280 /nfs/dbraw/zinc/98/22/80/1126982280.db2.gz JEZDFHOWZWHBLV-WCQYABFASA-N 0 3 336.357 3.739 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCCC(=O)N2CCc3ccccc32)c([O-])c1 ZINC000186021156 1127235485 /nfs/dbraw/zinc/23/54/85/1127235485.db2.gz CGJBAZDNQXTDGZ-INIZCTEOSA-N 0 3 338.451 3.721 20 10 EHCDHN COc1ccc(N2CCC(N[C@H](C)c3csc(C)n3)CC2)cc1 ZINC000765855572 1128601850 /nfs/dbraw/zinc/60/18/50/1128601850.db2.gz ZRUIECVSUOALDN-CYBMUJFWSA-N 0 3 331.485 3.780 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1cn(C)nc1C1CCCC1 ZINC000921747084 1128724245 /nfs/dbraw/zinc/72/42/45/1128724245.db2.gz LTOGOJICAFALEQ-UHFFFAOYSA-N 0 3 326.488 3.742 20 10 EHCDHN COc1ccc([C@@H]2C[C@@H]([N@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665126 1128744962 /nfs/dbraw/zinc/74/49/62/1128744962.db2.gz MJIBROKVSDWKHQ-PXNSSMCTSA-N 0 3 327.424 3.753 20 10 EHCDHN COc1ccc([C@@H]2C[C@@H]([N@@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665126 1128744965 /nfs/dbraw/zinc/74/49/65/1128744965.db2.gz MJIBROKVSDWKHQ-PXNSSMCTSA-N 0 3 327.424 3.753 20 10 EHCDHN C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2cc(F)cc(F)c2[O-])C1 ZINC001648927552 1120225243 /nfs/dbraw/zinc/22/52/43/1120225243.db2.gz ZDSHAGRJNMUZOK-CHWSQXEVSA-N 0 3 326.431 3.517 20 10 EHCDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000237164621 1121475395 /nfs/dbraw/zinc/47/53/95/1121475395.db2.gz NMUQFTMGWMHTSI-AWEZNQCLSA-N 0 3 344.455 3.629 20 10 EHCDHN Cc1ccc(C)c(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000763381420 1122222674 /nfs/dbraw/zinc/22/26/74/1122222674.db2.gz QGSDVDHTLLJRKY-UHFFFAOYSA-N 0 3 342.458 3.911 20 10 EHCDHN CN(C)c1ccc(CN(C[C@H]2COc3ccccc3O2)C2CC2)cc1 ZINC000917073954 1122470820 /nfs/dbraw/zinc/47/08/20/1122470820.db2.gz JVHAXJIFXOATPC-IBGZPJMESA-N 0 3 338.451 3.557 20 10 EHCDHN COc1ccc(O)c(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000179609262 1123806145 /nfs/dbraw/zinc/80/61/45/1123806145.db2.gz IBIHPMUAMGRMOU-GOSISDBHSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1ccc(O)c(CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000179608494 1123806428 /nfs/dbraw/zinc/80/64/28/1123806428.db2.gz KVLHDHFDQSMCRO-INIZCTEOSA-N 0 3 333.453 3.644 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000179875595 1123880299 /nfs/dbraw/zinc/88/02/99/1123880299.db2.gz DPBKMQGGZKFCJR-WBMJQRKESA-N 0 3 330.815 3.502 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1[O-] ZINC000179882246 1123887538 /nfs/dbraw/zinc/88/75/38/1123887538.db2.gz RQLZUJSBGNSZGG-MEDUHNTESA-N 0 3 348.805 3.641 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000734844147 1131285271 /nfs/dbraw/zinc/28/52/71/1131285271.db2.gz WBBRIRSBWKWXRN-NRFANRHFSA-N 0 3 333.431 3.752 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCCO1 ZINC000182980853 1125412629 /nfs/dbraw/zinc/41/26/29/1125412629.db2.gz DBKYWBYZXWUWGD-LJQANCHMSA-N 0 3 327.424 3.582 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCCO1 ZINC000182980853 1125412632 /nfs/dbraw/zinc/41/26/32/1125412632.db2.gz DBKYWBYZXWUWGD-LJQANCHMSA-N 0 3 327.424 3.582 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cc(F)ccc1[O-] ZINC000700742746 1130066639 /nfs/dbraw/zinc/06/66/39/1130066639.db2.gz PQEYXVBJJJZLIO-TYNCELHUSA-N 0 3 338.423 3.580 20 10 EHCDHN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000727807359 1130596473 /nfs/dbraw/zinc/59/64/73/1130596473.db2.gz VQYFTJWVBXVVCT-UHFFFAOYSA-N 0 3 339.483 3.650 20 10 EHCDHN COc1ccccc1[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000729989478 1130663593 /nfs/dbraw/zinc/66/35/93/1130663593.db2.gz WHBFRZNLYNSZER-MRXNPFEDSA-N 0 3 341.407 3.857 20 10 EHCDHN CCCCCCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845890 1130850363 /nfs/dbraw/zinc/85/03/63/1130850363.db2.gz LTZQXTYATYCQSG-UHFFFAOYSA-N 0 3 332.488 3.833 20 10 EHCDHN CCCCCCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845890 1130850370 /nfs/dbraw/zinc/85/03/70/1130850370.db2.gz LTZQXTYATYCQSG-UHFFFAOYSA-N 0 3 332.488 3.833 20 10 EHCDHN C[C@@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC001172805463 1131860831 /nfs/dbraw/zinc/86/08/31/1131860831.db2.gz BQFXMEFWTIHLGP-WZYMTQMTSA-N 0 3 344.455 3.749 20 10 EHCDHN C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cc3c(cc2O)OCO3)C1 ZINC000743371536 1131904016 /nfs/dbraw/zinc/90/40/16/1131904016.db2.gz CFOUTSMUTKPMNT-WBMJQRKESA-N 0 3 329.371 3.843 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000743870283 1131995280 /nfs/dbraw/zinc/99/52/80/1131995280.db2.gz OPANZTBZUDXLQD-LJQANCHMSA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000743870283 1131995285 /nfs/dbraw/zinc/99/52/85/1131995285.db2.gz OPANZTBZUDXLQD-LJQANCHMSA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[C@@]1(C)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743871953 1131998462 /nfs/dbraw/zinc/99/84/62/1131998462.db2.gz DDHGALKFFZAURE-NRFANRHFSA-N 0 3 345.531 3.613 20 10 EHCDHN Cc1cc(CN[C@@]2(CO)CC[C@H](C)c3ccccc32)ccc1N(C)C ZINC001176932040 1133011806 /nfs/dbraw/zinc/01/18/06/1133011806.db2.gz AJNXCFRKMRTYQB-KSFYIVLOSA-N 0 3 338.495 3.936 20 10 EHCDHN C[C@@H]1c2ccsc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000768209290 1133108626 /nfs/dbraw/zinc/10/86/26/1133108626.db2.gz OURXUFLFVRFKTQ-OAHLLOKOSA-N 0 3 328.481 3.704 20 10 EHCDHN C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768216228 1133113448 /nfs/dbraw/zinc/11/34/48/1133113448.db2.gz SGMFJSXPAFPCKV-OAHLLOKOSA-N 0 3 346.421 3.994 20 10 EHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CCCCC3)CC1)[C@H](O)CO2 ZINC000768439274 1133138999 /nfs/dbraw/zinc/13/89/99/1133138999.db2.gz JRXBDSINRRLVAS-LJQANCHMSA-N 0 3 331.456 3.610 20 10 EHCDHN CN(CC[N@H+](C)Cc1c([O-])ccc2ccccc21)C(=O)OC(C)(C)C ZINC000768460741 1133144105 /nfs/dbraw/zinc/14/41/05/1133144105.db2.gz ONYZGMXTDABMFT-UHFFFAOYSA-N 0 3 344.455 3.844 20 10 EHCDHN CN(CC[N@@H+](C)Cc1c([O-])ccc2ccccc21)C(=O)OC(C)(C)C ZINC000768460741 1133144111 /nfs/dbraw/zinc/14/41/11/1133144111.db2.gz ONYZGMXTDABMFT-UHFFFAOYSA-N 0 3 344.455 3.844 20 10 EHCDHN CCOc1cccc(CN(CC)Cc2ccc(OC)cc2OC)c1O ZINC000768491631 1133148946 /nfs/dbraw/zinc/14/89/46/1133148946.db2.gz CWKBRCLEEWFTTM-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768926826 1133205002 /nfs/dbraw/zinc/20/50/02/1133205002.db2.gz OHZWQVPXZPGFOX-UHFFFAOYSA-N 0 3 346.430 3.790 20 10 EHCDHN C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768926826 1133205007 /nfs/dbraw/zinc/20/50/07/1133205007.db2.gz OHZWQVPXZPGFOX-UHFFFAOYSA-N 0 3 346.430 3.790 20 10 EHCDHN CN(Cc1cccc(C(N)=O)c1)Cc1cc(-c2ccccc2)ccc1O ZINC000768926826 1133205013 /nfs/dbraw/zinc/20/50/13/1133205013.db2.gz OHZWQVPXZPGFOX-UHFFFAOYSA-N 0 3 346.430 3.790 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000769341524 1133266419 /nfs/dbraw/zinc/26/64/19/1133266419.db2.gz DSDPXOIUIHXDNS-FQEVSTJZSA-N 0 3 343.515 3.510 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC3(CCCC3)C2)c1[O-] ZINC000769395042 1133285663 /nfs/dbraw/zinc/28/56/63/1133285663.db2.gz LMYRAOJBLPIAKB-UHFFFAOYSA-N 0 3 340.261 3.929 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC3(CCCC3)C2)c1[O-] ZINC000769395042 1133285669 /nfs/dbraw/zinc/28/56/69/1133285669.db2.gz LMYRAOJBLPIAKB-UHFFFAOYSA-N 0 3 340.261 3.929 20 10 EHCDHN CN(C)c1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1F ZINC000769511872 1133305976 /nfs/dbraw/zinc/30/59/76/1133305976.db2.gz YLARIPNLTQQWDR-UHFFFAOYSA-N 0 3 340.442 3.913 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235554 1133349338 /nfs/dbraw/zinc/34/93/38/1133349338.db2.gz YRXWSSCTHFYURZ-WBVHZDCISA-N 0 3 348.487 3.826 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235554 1133349342 /nfs/dbraw/zinc/34/93/42/1133349342.db2.gz YRXWSSCTHFYURZ-WBVHZDCISA-N 0 3 348.487 3.826 20 10 EHCDHN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774482465 1133688113 /nfs/dbraw/zinc/68/81/13/1133688113.db2.gz LFJSCYUZVCYLBA-HUUCEWRRSA-N 0 3 343.446 3.878 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCC1=CCCCC1 ZINC000774487264 1133688588 /nfs/dbraw/zinc/68/85/88/1133688588.db2.gz YFSMMGALEKKZLY-IAGOWNOFSA-N 0 3 343.515 3.798 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000785566977 1133727869 /nfs/dbraw/zinc/72/78/69/1133727869.db2.gz CNRGNBIEZVBYBH-MSOLQXFVSA-N 0 3 330.472 3.757 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1[O-] ZINC001184054615 1133891633 /nfs/dbraw/zinc/89/16/33/1133891633.db2.gz HXZJNSZNLVCWMQ-HUUCEWRRSA-N 0 3 340.261 3.510 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2c1 ZINC000789504272 1134287212 /nfs/dbraw/zinc/28/72/12/1134287212.db2.gz JAVLNDDLESOWJB-QUCCMNQESA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2c1 ZINC000789504272 1134287221 /nfs/dbraw/zinc/28/72/21/1134287221.db2.gz JAVLNDDLESOWJB-QUCCMNQESA-N 0 3 327.424 3.697 20 10 EHCDHN Cc1cc(O)c(CN2C[C@H](C)OC3(CCOCC3)C2)cc1C(C)C ZINC000790398856 1134415891 /nfs/dbraw/zinc/41/58/91/1134415891.db2.gz XYMDHRLXJJWYRU-INIZCTEOSA-N 0 3 333.472 3.594 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccnc(OC(F)F)c2)cc1 ZINC000790637756 1134444666 /nfs/dbraw/zinc/44/46/66/1134444666.db2.gz YRTCVACAERRNHQ-UHFFFAOYSA-N 0 3 335.398 3.819 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000772798222 1134692640 /nfs/dbraw/zinc/69/26/40/1134692640.db2.gz QNJFJIUESJGRAX-HNNXBMFYSA-N 0 3 342.439 3.640 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000775413042 1134751227 /nfs/dbraw/zinc/75/12/27/1134751227.db2.gz UYJQJXCHGJPTMR-DLBZAZTESA-N 0 3 344.842 3.892 20 10 EHCDHN COC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792825694 1134796995 /nfs/dbraw/zinc/79/69/95/1134796995.db2.gz YSTGQUZMTGIIMI-CYBMUJFWSA-N 0 3 330.394 3.630 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000793387173 1134919890 /nfs/dbraw/zinc/91/98/90/1134919890.db2.gz AGFATBZCQSMPMD-UHFFFAOYSA-N 0 3 330.384 3.722 20 10 EHCDHN COc1ccc(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000793387466 1134921010 /nfs/dbraw/zinc/92/10/10/1134921010.db2.gz FBTXILKQSUINQA-ZIAGYGMSSA-N 0 3 345.439 3.700 20 10 EHCDHN COc1ccc(C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)c([O-])c1 ZINC000793387258 1134921157 /nfs/dbraw/zinc/92/11/57/1134921157.db2.gz BHKGIOBNHQCQKO-ZDUSSCGKSA-N 0 3 333.403 3.517 20 10 EHCDHN CC[C@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)c1ccccc1[O-] ZINC000775527883 1135012650 /nfs/dbraw/zinc/01/26/50/1135012650.db2.gz VODIZRTUVKIGMT-KRWDZBQOSA-N 0 3 328.412 3.854 20 10 EHCDHN CCCCCCOC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001194205132 1135243592 /nfs/dbraw/zinc/24/35/92/1135243592.db2.gz HNBHJWILGIYWNF-UHFFFAOYSA-N 0 3 334.460 3.663 20 10 EHCDHN COC1CCC([N@H+](C)Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000775699312 1135532227 /nfs/dbraw/zinc/53/22/27/1135532227.db2.gz CVAYNIBIMMDHLF-UHFFFAOYSA-N 0 3 342.277 3.853 20 10 EHCDHN COC1CCC([N@@H+](C)Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000775699312 1135532233 /nfs/dbraw/zinc/53/22/33/1135532233.db2.gz CVAYNIBIMMDHLF-UHFFFAOYSA-N 0 3 342.277 3.853 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000775725982 1135577805 /nfs/dbraw/zinc/57/78/05/1135577805.db2.gz VQQQFVREURKYKM-LBPRGKRZSA-N 0 3 325.836 3.518 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000775725982 1135577810 /nfs/dbraw/zinc/57/78/10/1135577810.db2.gz VQQQFVREURKYKM-LBPRGKRZSA-N 0 3 325.836 3.518 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c([O-])c1 ZINC000808437491 1135667557 /nfs/dbraw/zinc/66/75/57/1135667557.db2.gz PWFCKUWWGVLTCG-UZLBHIALSA-N 0 3 340.467 3.544 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CCO)Cc2ccccc2)c1[O-] ZINC000808717926 1135721042 /nfs/dbraw/zinc/72/10/42/1135721042.db2.gz NHXKAUKDIUJIIL-WMLDXEAASA-N 0 3 333.859 3.998 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOCC2CCOCC2)c1[O-] ZINC000808697627 1135724851 /nfs/dbraw/zinc/72/48/51/1135724851.db2.gz PHFHJQAZKYGPSH-AWEZNQCLSA-N 0 3 341.879 3.838 20 10 EHCDHN CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834364 1135798244 /nfs/dbraw/zinc/79/82/44/1135798244.db2.gz SLOCQZVHJMVAKR-INIZCTEOSA-N 0 3 339.483 3.913 20 10 EHCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc(C)c1O ZINC000809538878 1135849071 /nfs/dbraw/zinc/84/90/71/1135849071.db2.gz UUOQSTHGVVMNLF-IBGZPJMESA-N 0 3 341.451 3.896 20 10 EHCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc(C)c1O ZINC000809538878 1135849076 /nfs/dbraw/zinc/84/90/76/1135849076.db2.gz UUOQSTHGVVMNLF-IBGZPJMESA-N 0 3 341.451 3.896 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@H](C)C2)c1[O-] ZINC000776000918 1135916606 /nfs/dbraw/zinc/91/66/06/1135916606.db2.gz ZXKJYOQYHPMVOZ-NSHDSACASA-N 0 3 328.250 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@H](C)C2)c1[O-] ZINC000776000918 1135916602 /nfs/dbraw/zinc/91/66/02/1135916602.db2.gz ZXKJYOQYHPMVOZ-NSHDSACASA-N 0 3 328.250 3.785 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1F ZINC000776013357 1135917860 /nfs/dbraw/zinc/91/78/60/1135917860.db2.gz FZNCKGPQNDGXGZ-OAQYLSRUSA-N 0 3 340.442 3.913 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219137 1135939150 /nfs/dbraw/zinc/93/91/50/1135939150.db2.gz FQUIMKFXNSMPOI-WHOFXGATSA-N 0 3 330.394 3.934 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208696 1135943262 /nfs/dbraw/zinc/94/32/62/1135943262.db2.gz ZBKCJAHOJOXEAF-OAHLLOKOSA-N 0 3 330.394 3.936 20 10 EHCDHN COc1cc(CN[C@@H](CO)c2ccsc2)c(O)c(C(C)(C)C)c1 ZINC000850249784 1136226944 /nfs/dbraw/zinc/22/69/44/1136226944.db2.gz HWSPMLPZULTNSR-INIZCTEOSA-N 0 3 335.469 3.583 20 10 EHCDHN COc1ccc(N2CC[C@H](NCc3cnc(C(C)(C)C)s3)C2)cc1 ZINC000850345537 1136238579 /nfs/dbraw/zinc/23/85/79/1136238579.db2.gz DHIGRXWIPUKBEH-AWEZNQCLSA-N 0 3 345.512 3.818 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000812734430 1136239274 /nfs/dbraw/zinc/23/92/74/1136239274.db2.gz LXPALZWXSWGVBV-ZBEGNZNMSA-N 0 3 342.277 3.929 20 10 EHCDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000747859244 1136343657 /nfs/dbraw/zinc/34/36/57/1136343657.db2.gz KFKWTKMTFUQTDQ-AWEZNQCLSA-N 0 3 341.455 3.570 20 10 EHCDHN COCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000813782212 1136361939 /nfs/dbraw/zinc/36/19/39/1136361939.db2.gz YPQNIYRUYQKQIB-UHFFFAOYSA-N 0 3 341.451 3.592 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCCSC1 ZINC000814171587 1136410280 /nfs/dbraw/zinc/41/02/80/1136410280.db2.gz PSGQHRAIFDBNHQ-KRWDZBQOSA-N 0 3 329.465 3.956 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(F)c2OC(F)F)c1 ZINC000851899742 1136417359 /nfs/dbraw/zinc/41/73/59/1136417359.db2.gz DUKHTLFLDRHSHP-SNVBAGLBSA-N 0 3 341.329 3.992 20 10 EHCDHN CN(C)c1ccc(/C=C\CNCc2cnccc2C(F)(F)F)cc1 ZINC000853095079 1136508596 /nfs/dbraw/zinc/50/85/96/1136508596.db2.gz HMZWFUNDJLDVCQ-ARJAWSKDSA-N 0 3 335.373 3.969 20 10 EHCDHN CN(C)c1ccc([C@H](CNC(=O)C2CCCCCCC2)N(C)C)cc1 ZINC001134682135 1136511863 /nfs/dbraw/zinc/51/18/63/1136511863.db2.gz WSLVACPOMSWBHX-FQEVSTJZSA-N 0 3 345.531 3.832 20 10 EHCDHN Cc1cc(CN2CCC(C(=O)OC(C)(C)C)CC2)ccc1N(C)C ZINC000815033387 1136543288 /nfs/dbraw/zinc/54/32/88/1136543288.db2.gz FNTDVOVAJIDUOM-UHFFFAOYSA-N 0 3 332.488 3.615 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000815576857 1136613280 /nfs/dbraw/zinc/61/32/80/1136613280.db2.gz ZRPWBTXMRMRFMV-WIYYLYMNSA-N 0 3 336.479 3.892 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000815598297 1136617045 /nfs/dbraw/zinc/61/70/45/1136617045.db2.gz QUOUYYAJFLZCNQ-BJLQDIEVSA-N 0 3 325.452 3.959 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3csc(C)n3)C2)cc1 ZINC000818342946 1136872524 /nfs/dbraw/zinc/87/25/24/1136872524.db2.gz WXQGXYVDTDLELK-DZGCQCFKSA-N 0 3 331.485 3.637 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000818342348 1136872770 /nfs/dbraw/zinc/87/27/70/1136872770.db2.gz PMDKDKLCWCAVDN-UZLBHIALSA-N 0 3 340.467 3.968 20 10 EHCDHN Cc1ccc(O)c(CNCc2cc3cnn(C(C)C)c3nc2Cl)c1 ZINC000858237328 1136951438 /nfs/dbraw/zinc/95/14/38/1136951438.db2.gz JWHYZYKKZDHWNU-UHFFFAOYSA-N 0 3 344.846 3.969 20 10 EHCDHN CO[C@H](CN[C@@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000777012741 1136953607 /nfs/dbraw/zinc/95/36/07/1136953607.db2.gz ROVURALZDALDRH-XJKSGUPXSA-N 0 3 330.394 3.905 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2c1c(F)ccc2[O-] ZINC000858453184 1136969653 /nfs/dbraw/zinc/96/96/53/1136969653.db2.gz KKMJGEITMFJLKW-ISTRZQFTSA-N 0 3 327.399 3.811 20 10 EHCDHN Cc1cc(CN[C@@H]2CCCc3nn(C)cc32)c(C)n1-c1ccccc1 ZINC000858543121 1136977381 /nfs/dbraw/zinc/97/73/81/1136977381.db2.gz QETKSLSRZBJZGV-HXUWFJFHSA-N 0 3 334.467 3.995 20 10 EHCDHN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858592463 1136981403 /nfs/dbraw/zinc/98/14/03/1136981403.db2.gz CJZJWZSCOGANBC-WZRBSPASSA-N 0 3 328.250 3.539 20 10 EHCDHN COc1ccc(CNCc2cccc(C3(C)OCCO3)c2)cc1C ZINC000821207484 1137020255 /nfs/dbraw/zinc/02/02/55/1137020255.db2.gz SWOLUAUPWPCHLN-UHFFFAOYSA-N 0 3 327.424 3.513 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000862485146 1137146745 /nfs/dbraw/zinc/14/67/45/1137146745.db2.gz HXGADADCMIDJSX-WMLDXEAASA-N 0 3 349.471 3.591 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000862485146 1137146746 /nfs/dbraw/zinc/14/67/46/1137146746.db2.gz HXGADADCMIDJSX-WMLDXEAASA-N 0 3 349.471 3.591 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000824799025 1137152800 /nfs/dbraw/zinc/15/28/00/1137152800.db2.gz JHQBRXCQYIROOH-IUODEOHRSA-N 0 3 327.852 3.595 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C(C)(C)C2CCC2)c1[O-] ZINC000824878564 1137156964 /nfs/dbraw/zinc/15/69/64/1137156964.db2.gz QZUZDFQKBWLRIK-UHFFFAOYSA-N 0 3 328.250 3.832 20 10 EHCDHN CCN(Cc1n[nH]c2ccc(F)cc21)Cc1ccc(N(C)C)cc1 ZINC001144200934 1137250515 /nfs/dbraw/zinc/25/05/15/1137250515.db2.gz RBGADUBCDVXGSS-UHFFFAOYSA-N 0 3 326.419 3.790 20 10 EHCDHN CCN(Cc1[nH]nc2ccc(F)cc21)Cc1ccc(N(C)C)cc1 ZINC001144200934 1137250516 /nfs/dbraw/zinc/25/05/16/1137250516.db2.gz RBGADUBCDVXGSS-UHFFFAOYSA-N 0 3 326.419 3.790 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000845971455 1137322242 /nfs/dbraw/zinc/32/22/42/1137322242.db2.gz KOVPYXSVUJCZRG-BZNIZROVSA-N 0 3 334.441 3.560 20 10 EHCDHN CCOc1ccc(O)c(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000846016397 1137326316 /nfs/dbraw/zinc/32/63/16/1137326316.db2.gz VKIFTGQNGZCJSM-UHFFFAOYSA-N 0 3 333.325 3.657 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCC1(CO)CCC1 ZINC000846104878 1137335884 /nfs/dbraw/zinc/33/58/84/1137335884.db2.gz LUJXZFXQESEYHT-UHFFFAOYSA-N 0 3 341.451 3.614 20 10 EHCDHN COc1cccc([C@H](C)NCc2c(F)cccc2N2CCCC2)c1O ZINC000846173980 1137337940 /nfs/dbraw/zinc/33/79/40/1137337940.db2.gz VQCYFVCJUOYEHQ-AWEZNQCLSA-N 0 3 344.430 3.991 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846180942 1137339913 /nfs/dbraw/zinc/33/99/13/1137339913.db2.gz OOPANKCGVAUHMB-KKSFZXQISA-N 0 3 325.452 3.536 20 10 EHCDHN C[C@@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000866406813 1137352572 /nfs/dbraw/zinc/35/25/72/1137352572.db2.gz IINNVMPIYDIFOL-MEBBXXQBSA-N 0 3 343.320 3.934 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc([N+](=O)[O-])cc1 ZINC000122952412 1137477289 /nfs/dbraw/zinc/47/72/89/1137477289.db2.gz OBCSQBHQQJVFGZ-AWEZNQCLSA-N 0 3 325.412 3.828 20 10 EHCDHN COc1ccc(CNCc2ccc(C)s2)cc1Cn1cccn1 ZINC000873014258 1137588132 /nfs/dbraw/zinc/58/81/32/1137588132.db2.gz PCEPOSOJNWJGNX-UHFFFAOYSA-N 0 3 327.453 3.600 20 10 EHCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)C1CCOCC1 ZINC000876722582 1137659701 /nfs/dbraw/zinc/65/97/01/1137659701.db2.gz ZFYQRAWZCCAYOL-FQEVSTJZSA-N 0 3 333.472 3.578 20 10 EHCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C1CCOCC1 ZINC000876722582 1137659702 /nfs/dbraw/zinc/65/97/02/1137659702.db2.gz ZFYQRAWZCCAYOL-FQEVSTJZSA-N 0 3 333.472 3.578 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000877054370 1137668806 /nfs/dbraw/zinc/66/88/06/1137668806.db2.gz HMZYCDQOXCSCOC-DNVCBOLYSA-N 0 3 330.497 3.935 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000877480377 1137677693 /nfs/dbraw/zinc/67/76/93/1137677693.db2.gz SXPZNFWQVWSRFY-UHFFFAOYSA-N 0 3 325.452 3.518 20 10 EHCDHN C[C@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877758292 1137688476 /nfs/dbraw/zinc/68/84/76/1137688476.db2.gz RUCHVKKUOSZZHK-NFOMZHRRSA-N 0 3 334.460 3.736 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877824937 1137692099 /nfs/dbraw/zinc/69/20/99/1137692099.db2.gz NMMOKLSTKWGRLU-JYJNAYRXSA-N 0 3 346.471 3.578 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648347 1137753460 /nfs/dbraw/zinc/75/34/60/1137753460.db2.gz KWPSWQYCWQDIJA-NEPJUHHUSA-N 0 3 348.830 3.732 20 10 EHCDHN C[C@@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649275 1137753581 /nfs/dbraw/zinc/75/35/81/1137753581.db2.gz OUROXUPCXHTVPS-BEFAXECRSA-N 0 3 338.451 3.627 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)c1ccccc1[O-] ZINC000879648433 1137753623 /nfs/dbraw/zinc/75/36/23/1137753623.db2.gz OPHGEDPXNVIZON-KGLIPLIRSA-N 0 3 342.464 3.570 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000879649614 1137753668 /nfs/dbraw/zinc/75/36/68/1137753668.db2.gz YNZKARGMRDQTGK-OCCSQVGLSA-N 0 3 339.357 3.665 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879649202 1137753713 /nfs/dbraw/zinc/75/37/13/1137753713.db2.gz NRVDERJPKFMZDH-CPUCHLNUSA-N 0 3 349.858 3.835 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000879650936 1137753823 /nfs/dbraw/zinc/75/38/23/1137753823.db2.gz YNZKARGMRDQTGK-GXTWGEPZSA-N 0 3 339.357 3.665 20 10 EHCDHN C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879652795 1137753932 /nfs/dbraw/zinc/75/39/32/1137753932.db2.gz INHWCJCBRZWWJN-OLZOCXBDSA-N 0 3 332.831 3.574 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000879653912 1137753970 /nfs/dbraw/zinc/75/39/70/1137753970.db2.gz XVSLESVDPPYFQU-VPGYMZKXSA-N 0 3 342.483 3.516 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3oc(=O)oc3c2)cc1 ZINC000882903105 1137837302 /nfs/dbraw/zinc/83/73/02/1137837302.db2.gz VYVDVJYHFOXVNI-UHFFFAOYSA-N 0 3 326.396 3.522 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c2c1c(F)ccc2[O-] ZINC000886771989 1138137643 /nfs/dbraw/zinc/13/76/43/1138137643.db2.gz QUIIMAREXABYJR-OIEHTQQHSA-N 0 3 349.446 3.642 20 10 EHCDHN Cc1c(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)cnn1C ZINC000090888158 1138213668 /nfs/dbraw/zinc/21/36/68/1138213668.db2.gz OEQXIWAJFDRUNG-MRXNPFEDSA-N 0 3 326.488 3.960 20 10 EHCDHN COc1cccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)c1O ZINC000092968750 1138233082 /nfs/dbraw/zinc/23/30/82/1138233082.db2.gz KHRVCQHYNJBXJK-MRXNPFEDSA-N 0 3 341.407 3.509 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000122765593 1138261878 /nfs/dbraw/zinc/26/18/78/1138261878.db2.gz GAJFMBAUWSYFQZ-IERDGZPVSA-N 0 3 341.451 3.807 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000123068952 1138265962 /nfs/dbraw/zinc/26/59/62/1138265962.db2.gz XZVOYQYMPBSJGR-QGZVFWFLSA-N 0 3 329.444 3.523 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([O-])c1 ZINC000123068952 1138265964 /nfs/dbraw/zinc/26/59/64/1138265964.db2.gz XZVOYQYMPBSJGR-QGZVFWFLSA-N 0 3 329.444 3.523 20 10 EHCDHN CC(C)CNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000887559429 1138427949 /nfs/dbraw/zinc/42/79/49/1138427949.db2.gz VMBXBALECCSDBJ-UHFFFAOYSA-N 0 3 340.467 3.530 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179575530 1139766414 /nfs/dbraw/zinc/76/64/14/1139766414.db2.gz DMLWOFYAPIJWCQ-GJZGRUSLSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179575530 1139766418 /nfs/dbraw/zinc/76/64/18/1139766418.db2.gz DMLWOFYAPIJWCQ-GJZGRUSLSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000180062465 1139806537 /nfs/dbraw/zinc/80/65/37/1139806537.db2.gz FKTOSFPSNCEWHL-CQSZACIVSA-N 0 3 334.460 3.517 20 10 EHCDHN CCc1nc2c(s1)[C@H](N(C)Cc1cc(OC)ccc1O)CCC2 ZINC000180544627 1139844440 /nfs/dbraw/zinc/84/44/40/1139844440.db2.gz LUIHSZNFBBHRPG-OAHLLOKOSA-N 0 3 332.469 3.929 20 10 EHCDHN CC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOCC1 ZINC000183160865 1140016876 /nfs/dbraw/zinc/01/68/76/1140016876.db2.gz DSBQTVZZXMNUTK-UHFFFAOYSA-N 0 3 327.424 3.630 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccccc1[O-] ZINC000183425916 1140037323 /nfs/dbraw/zinc/03/73/23/1140037323.db2.gz DYAXKQLKIBKWOD-INIZCTEOSA-N 0 3 325.456 3.874 20 10 EHCDHN CSc1nnc(CCC[NH2+][C@H](C)c2ccccc2[O-])n1CC(C)C ZINC000183512104 1140044106 /nfs/dbraw/zinc/04/41/06/1140044106.db2.gz OYAAGOMCFURJKZ-CQSZACIVSA-N 0 3 348.516 3.645 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000185206800 1140140183 /nfs/dbraw/zinc/14/01/83/1140140183.db2.gz UNWPLACTWNGSSO-VQTJNVASSA-N 0 3 340.467 3.506 20 10 EHCDHN CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185470849 1140151464 /nfs/dbraw/zinc/15/14/64/1140151464.db2.gz FXBORGZBLAOVEE-BFUOFWGJSA-N 0 3 333.403 3.703 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000185470584 1140151553 /nfs/dbraw/zinc/15/15/53/1140151553.db2.gz QBVVVWJWIWRLLG-YWZLYKJASA-N 0 3 329.440 3.872 20 10 EHCDHN CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185479311 1140152226 /nfs/dbraw/zinc/15/22/26/1140152226.db2.gz OGWANXNFGRBJNT-DJJJIMSYSA-N 0 3 333.403 3.703 20 10 EHCDHN C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cc(F)ccc1[O-] ZINC000185604778 1140157970 /nfs/dbraw/zinc/15/79/70/1140157970.db2.gz CKOWBDFVCAMBOS-MRVPVSSYSA-N 0 3 334.338 3.900 20 10 EHCDHN COC(=O)CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185999792 1140182011 /nfs/dbraw/zinc/18/20/11/1140182011.db2.gz HENVZAZZVQRLNS-CXAGYDPISA-N 0 3 331.387 3.876 20 10 EHCDHN CC[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1[O-] ZINC000186423571 1140203257 /nfs/dbraw/zinc/20/32/57/1140203257.db2.gz CYWNKBSUBYWLHC-IPCDKGFNSA-N 0 3 326.440 3.658 20 10 EHCDHN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000268872178 1141013812 /nfs/dbraw/zinc/01/38/12/1141013812.db2.gz VPEUIVSHKPYALK-WQTXXOFMSA-N 0 3 336.479 3.986 20 10 EHCDHN COCCn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000270986618 1141290208 /nfs/dbraw/zinc/29/02/08/1141290208.db2.gz GLLGIGWOJGMXAP-UHFFFAOYSA-N 0 3 343.471 3.570 20 10 EHCDHN COCCn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000270986618 1141290211 /nfs/dbraw/zinc/29/02/11/1141290211.db2.gz GLLGIGWOJGMXAP-UHFFFAOYSA-N 0 3 343.471 3.570 20 10 EHCDHN CC(=O)Nc1ccccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271059632 1141302514 /nfs/dbraw/zinc/30/25/14/1141302514.db2.gz WBWFOFZNFQXOAW-UHFFFAOYSA-N 0 3 337.467 3.876 20 10 EHCDHN CC(C)N(Cc1cn(C)nc1C(F)F)Cc1ccc(N(C)C)cc1 ZINC000274518491 1014171673 /nfs/dbraw/zinc/17/16/73/1014171673.db2.gz XKTHCWLBMDUZLP-UHFFFAOYSA-N 0 3 336.430 3.834 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Br)ccc1[O-] ZINC000049553241 1014354225 /nfs/dbraw/zinc/35/42/25/1014354225.db2.gz ZRDCLAWAGDAZPY-FZMZJTMJSA-N 0 3 329.282 3.536 20 10 EHCDHN CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000155226328 1016324858 /nfs/dbraw/zinc/32/48/58/1016324858.db2.gz LVHDDFNLRWGPAZ-SFHVURJKSA-N 0 3 332.488 3.860 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000275392904 1016677116 /nfs/dbraw/zinc/67/71/16/1016677116.db2.gz YVDQZBRKCIONGU-AGIUHOORSA-N 0 3 342.277 3.929 20 10 EHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000377683765 1018185479 /nfs/dbraw/zinc/18/54/79/1018185479.db2.gz TULRPQXJLXEVAN-QGZVFWFLSA-N 0 3 334.423 3.557 20 10 EHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000377683765 1018185485 /nfs/dbraw/zinc/18/54/85/1018185485.db2.gz TULRPQXJLXEVAN-QGZVFWFLSA-N 0 3 334.423 3.557 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccnn1CC1CCC1 ZINC000925080590 1023004258 /nfs/dbraw/zinc/00/42/58/1023004258.db2.gz MOLZPMUSLJWPEY-MRXNPFEDSA-N 0 3 326.488 3.908 20 10 EHCDHN CC[C@H]([NH2+]CCNc1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000156857506 1024620768 /nfs/dbraw/zinc/62/07/68/1024620768.db2.gz UVDDITQFDWPTRD-SFHVURJKSA-N 0 3 330.428 3.562 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN[C@H](Cn1ccnc1)c1ccccc1 ZINC000895706879 1024742612 /nfs/dbraw/zinc/74/26/12/1024742612.db2.gz OJHKOGAOQJXLFV-OAQYLSRUSA-N 0 3 334.467 3.789 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1[O-] ZINC000283509518 1024835659 /nfs/dbraw/zinc/83/56/59/1024835659.db2.gz ZJSWAPRQIQXDKX-MEDUHNTESA-N 0 3 336.229 3.539 20 10 EHCDHN Cc1ccc(O)c(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000758632882 1025150630 /nfs/dbraw/zinc/15/06/30/1025150630.db2.gz QHMPSIDAKMNCSZ-HNNXBMFYSA-N 0 3 325.330 3.543 20 10 EHCDHN COc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000158637892 1026204312 /nfs/dbraw/zinc/20/43/12/1026204312.db2.gz ARFWWKJVODVPNL-OAHLLOKOSA-N 0 3 344.430 3.522 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000127235117 1029853410 /nfs/dbraw/zinc/85/34/10/1029853410.db2.gz JQKXJBYYZDSGBF-CYBMUJFWSA-N 0 3 328.250 3.510 20 10 EHCDHN COc1cc(O)c(CN2CCC[C@@H]2c2cccc(F)c2)cc1OC ZINC000179439641 1034306990 /nfs/dbraw/zinc/30/69/90/1034306990.db2.gz VOCJTOORPKNBTB-MRXNPFEDSA-N 0 3 331.387 3.886 20 10 EHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000761225278 1034810125 /nfs/dbraw/zinc/81/01/25/1034810125.db2.gz BBIXUUKEQPNUCM-IBGZPJMESA-N 0 3 328.431 3.628 20 10 EHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000761225278 1034810138 /nfs/dbraw/zinc/81/01/38/1034810138.db2.gz BBIXUUKEQPNUCM-IBGZPJMESA-N 0 3 328.431 3.628 20 10 EHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165889930 1036795513 /nfs/dbraw/zinc/79/55/13/1036795513.db2.gz AGEHBPMCWWLMTD-UHFFFAOYSA-N 0 3 343.224 3.993 20 10 EHCDHN C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(N(C)C)cc1 ZINC000162406537 1036888063 /nfs/dbraw/zinc/88/80/63/1036888063.db2.gz IJECCUISPJHOTO-QGZVFWFLSA-N 0 3 338.499 3.989 20 10 EHCDHN COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCCC2)cc1 ZINC000183382827 1038704561 /nfs/dbraw/zinc/70/45/61/1038704561.db2.gz NPDYYVXUJNYOFA-JXFKEZNVSA-N 0 3 340.467 3.889 20 10 EHCDHN COc1cccc(CNCc2ccccc2OC(F)(F)F)c1O ZINC000237224858 1039325675 /nfs/dbraw/zinc/32/56/75/1039325675.db2.gz PMRNLUWSDVADSC-UHFFFAOYSA-N 0 3 327.302 3.589 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000106251512 1042948080 /nfs/dbraw/zinc/94/80/80/1042948080.db2.gz UOWCWQBNKBMXHN-UHFFFAOYSA-N 0 3 331.843 3.884 20 10 EHCDHN COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCCC1 ZINC000183378307 1125542512 /nfs/dbraw/zinc/54/25/12/1125542512.db2.gz SUHVTOKQPSJWRG-LPHOPBHVSA-N 0 3 340.467 3.889 20 10 EHCDHN COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183632777 1125624164 /nfs/dbraw/zinc/62/41/64/1125624164.db2.gz HMHGEKWFXHEXTQ-LSDHHAIUSA-N 0 3 329.440 3.939 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000185019196 1126739643 /nfs/dbraw/zinc/73/96/43/1126739643.db2.gz LRDOGKWANHYATG-SNVBAGLBSA-N 0 3 344.308 3.718 20 10 EHCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCc2sccc2C1 ZINC000185174472 1126803228 /nfs/dbraw/zinc/80/32/28/1126803228.db2.gz QCIYAFCEXAZHIW-STQMWFEESA-N 0 3 334.460 3.690 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185455931 1126904381 /nfs/dbraw/zinc/90/43/81/1126904381.db2.gz LYCSHZDMTIXSCQ-GJZGRUSLSA-N 0 3 334.460 3.751 20 10 EHCDHN C[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000186145740 1127354993 /nfs/dbraw/zinc/35/49/93/1127354993.db2.gz NXKFMGQYDJSFJN-JTQLQIEISA-N 0 3 344.308 3.675 20 10 EHCDHN C[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765309600 1127597167 /nfs/dbraw/zinc/59/71/67/1127597167.db2.gz JBMTXRFKYAVNKS-OXJNMPFZSA-N 0 3 339.483 3.623 20 10 EHCDHN c1cc(CNCc2ccc3c(c2)CCCO3)cc(N2CCCCC2)n1 ZINC000921548759 1127726011 /nfs/dbraw/zinc/72/60/11/1127726011.db2.gz YLBWOLDOGBTWIJ-UHFFFAOYSA-N 0 3 337.467 3.687 20 10 EHCDHN C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000765779606 1128359060 /nfs/dbraw/zinc/35/90/60/1128359060.db2.gz LJRXUJGGCPGFLX-HOTGVXAUSA-N 0 3 326.440 3.641 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)C(F)(F)F ZINC000765788829 1128369013 /nfs/dbraw/zinc/36/90/13/1128369013.db2.gz QASVGCDAKJSGGF-RDJZCZTQSA-N 0 3 339.357 3.851 20 10 EHCDHN CN(C)C1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCC1 ZINC000762979058 1121638739 /nfs/dbraw/zinc/63/87/39/1121638739.db2.gz QFPOLLOAWTXTMK-UHFFFAOYSA-N 0 3 343.515 3.556 20 10 EHCDHN COc1cc(O)c(CN2CC[C@@H](C)C[C@H]2c2ccco2)cc1OC ZINC000180565083 1124032687 /nfs/dbraw/zinc/03/26/87/1124032687.db2.gz OLRJNDAJDUFUKD-HIFRSBDPSA-N 0 3 331.412 3.976 20 10 EHCDHN COc1ccccc1[C@@H](CO)NCc1cc(-c2ccccc2)ccc1O ZINC000734851092 1131286941 /nfs/dbraw/zinc/28/69/41/1131286941.db2.gz UZLMMYKEEZCYCT-HXUWFJFHSA-N 0 3 349.430 3.891 20 10 EHCDHN COc1cc(CNCc2ccc3c(c2)CCCO3)ccc1OC(F)F ZINC000921499276 1125177023 /nfs/dbraw/zinc/17/70/23/1125177023.db2.gz VUOUHSYYSCNZJP-UHFFFAOYSA-N 0 3 349.377 3.911 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1[O-] ZINC000735668110 1131371453 /nfs/dbraw/zinc/37/14/53/1131371453.db2.gz PACHGXOVVGUEOJ-CHWSQXEVSA-N 0 3 345.464 3.658 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCS[C@H](C)[C@H]2C)c1[O-] ZINC000735668110 1131371458 /nfs/dbraw/zinc/37/14/58/1131371458.db2.gz PACHGXOVVGUEOJ-CHWSQXEVSA-N 0 3 345.464 3.658 20 10 EHCDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766002806 1129692963 /nfs/dbraw/zinc/69/29/63/1129692963.db2.gz RBSCUBAAWNXFEG-OXQOHEQNSA-N 0 3 337.467 3.599 20 10 EHCDHN CCCC[N@H+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1[O-] ZINC000282398387 1129694013 /nfs/dbraw/zinc/69/40/13/1129694013.db2.gz HNRNENYUYGPHGN-UHFFFAOYSA-N 0 3 326.440 3.554 20 10 EHCDHN CCCC[N@@H+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1[O-] ZINC000282398387 1129694015 /nfs/dbraw/zinc/69/40/15/1129694015.db2.gz HNRNENYUYGPHGN-UHFFFAOYSA-N 0 3 326.440 3.554 20 10 EHCDHN C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc([O-])cs2)C1 ZINC000731869394 1130856522 /nfs/dbraw/zinc/85/65/22/1130856522.db2.gz GOHZTMVOVUCQIB-AWEZNQCLSA-N 0 3 344.480 3.616 20 10 EHCDHN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([O-])cs2)C1 ZINC000731869394 1130856527 /nfs/dbraw/zinc/85/65/27/1130856527.db2.gz GOHZTMVOVUCQIB-AWEZNQCLSA-N 0 3 344.480 3.616 20 10 EHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCCC1 ZINC000732204950 1130900249 /nfs/dbraw/zinc/90/02/49/1130900249.db2.gz WIGHIVVUWCTLPV-UHFFFAOYSA-N 0 3 330.472 3.539 20 10 EHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCCC1 ZINC000732204950 1130900251 /nfs/dbraw/zinc/90/02/51/1130900251.db2.gz WIGHIVVUWCTLPV-UHFFFAOYSA-N 0 3 330.472 3.539 20 10 EHCDHN C[N@H+](CCOc1ccccc1C(F)(F)F)Cc1ccccc1[O-] ZINC000732202776 1130900370 /nfs/dbraw/zinc/90/03/70/1130900370.db2.gz BVNFCKOBTZLEIV-UHFFFAOYSA-N 0 3 325.330 3.922 20 10 EHCDHN C[N@@H+](CCOc1ccccc1C(F)(F)F)Cc1ccccc1[O-] ZINC000732202776 1130900374 /nfs/dbraw/zinc/90/03/74/1130900374.db2.gz BVNFCKOBTZLEIV-UHFFFAOYSA-N 0 3 325.330 3.922 20 10 EHCDHN O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc([O-])cs1 ZINC000733002572 1130977242 /nfs/dbraw/zinc/97/72/42/1130977242.db2.gz ONLZWGFQWCVRHW-UHFFFAOYSA-N 0 3 344.480 3.760 20 10 EHCDHN C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613791 1131061816 /nfs/dbraw/zinc/06/18/16/1131061816.db2.gz LGBPFOCEMRMJQO-IAGOWNOFSA-N 0 3 344.499 3.926 20 10 EHCDHN C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613791 1131061820 /nfs/dbraw/zinc/06/18/20/1131061820.db2.gz LGBPFOCEMRMJQO-IAGOWNOFSA-N 0 3 344.499 3.926 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000740010539 1131518113 /nfs/dbraw/zinc/51/81/13/1131518113.db2.gz DYBSGOQIRDNZME-LJQANCHMSA-N 0 3 325.433 3.944 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000741676625 1131634177 /nfs/dbraw/zinc/63/41/77/1131634177.db2.gz MSYQBNHSECQJPK-UHFFFAOYSA-N 0 3 340.467 3.951 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000743870580 1131995716 /nfs/dbraw/zinc/99/57/16/1131995716.db2.gz YDKOQZBEHYKQHW-INIZCTEOSA-N 0 3 326.440 3.940 20 10 EHCDHN C[C@@H](NCc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC001168801152 1132562302 /nfs/dbraw/zinc/56/23/02/1132562302.db2.gz MCHQONPPBUMFLX-CQSZACIVSA-N 0 3 332.394 3.652 20 10 EHCDHN CC1CCN(c2ccc(CNCc3cnccc3N(C)C)cc2)CC1 ZINC001177733928 1133097605 /nfs/dbraw/zinc/09/76/05/1133097605.db2.gz XXTJXNSKEXPTIQ-UHFFFAOYSA-N 0 3 338.499 3.674 20 10 EHCDHN CCN(CC)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000768244472 1133119819 /nfs/dbraw/zinc/11/98/19/1133119819.db2.gz MKPZXUZOGYFQBE-QGZVFWFLSA-N 0 3 347.503 3.632 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC000768318169 1133127862 /nfs/dbraw/zinc/12/78/62/1133127862.db2.gz JJRFODISTSLHLR-CYBMUJFWSA-N 0 3 328.250 3.784 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC000768318169 1133127864 /nfs/dbraw/zinc/12/78/64/1133127864.db2.gz JJRFODISTSLHLR-CYBMUJFWSA-N 0 3 328.250 3.784 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc(Cl)cc1)C1CC1)[C@H](O)CO2 ZINC000768442123 1133139408 /nfs/dbraw/zinc/13/94/08/1133139408.db2.gz JEOSSLJKTGLENU-GOSISDBHSA-N 0 3 345.826 3.636 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)[C@H](O)CO2 ZINC000768442123 1133139413 /nfs/dbraw/zinc/13/94/13/1133139413.db2.gz JEOSSLJKTGLENU-GOSISDBHSA-N 0 3 345.826 3.636 20 10 EHCDHN COc1ccccc1CN(Cc1cc(C)ccc1O)C[C@@H]1CCCO1 ZINC000768754086 1133178124 /nfs/dbraw/zinc/17/81/24/1133178124.db2.gz PEDXPTKSTVGGKE-IBGZPJMESA-N 0 3 341.451 3.890 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)OC)cc1 ZINC000773775705 1133203967 /nfs/dbraw/zinc/20/39/67/1133203967.db2.gz KOMFAHDGDJOYKW-JXFKEZNVSA-N 0 3 340.467 3.783 20 10 EHCDHN CCCN(CCC)c1ccc(CN2CCCN(C(=O)CC)CC2)cc1 ZINC000768927517 1133205064 /nfs/dbraw/zinc/20/50/64/1133205064.db2.gz VXKCYNNMSAXSTF-UHFFFAOYSA-N 0 3 345.531 3.757 20 10 EHCDHN COc1cccc(O)c1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000769032482 1133216172 /nfs/dbraw/zinc/21/61/72/1133216172.db2.gz CQVANYXLYYZFPB-KRWDZBQOSA-N 0 3 327.424 3.582 20 10 EHCDHN CCN(CC)c1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1F ZINC000770328870 1133412453 /nfs/dbraw/zinc/41/24/53/1133412453.db2.gz XODIWMHFTUTOMV-UZLBHIALSA-N 0 3 344.478 3.952 20 10 EHCDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC001181196063 1133465456 /nfs/dbraw/zinc/46/54/56/1133465456.db2.gz HWZDVTFOHGUGBW-UPRAQXHNSA-N 0 3 327.424 3.691 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000774486535 1133688607 /nfs/dbraw/zinc/68/86/07/1133688607.db2.gz WGBFCCKAIFHIPJ-OLZOCXBDSA-N 0 3 347.409 3.709 20 10 EHCDHN CCOc1ccc(CN[C@@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000785544264 1133718827 /nfs/dbraw/zinc/71/88/27/1133718827.db2.gz LRFLUAORBYOSBZ-KRWDZBQOSA-N 0 3 335.831 3.922 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)c([O-])c1 ZINC000785544264 1133718831 /nfs/dbraw/zinc/71/88/31/1133718831.db2.gz LRFLUAORBYOSBZ-KRWDZBQOSA-N 0 3 335.831 3.922 20 10 EHCDHN CCc1ccc(CN2CCN(Cc3cc(F)c(F)cc3O)CC2)cc1 ZINC001183527335 1133814981 /nfs/dbraw/zinc/81/49/81/1133814981.db2.gz VAODFIAMGKPXAG-UHFFFAOYSA-N 0 3 346.421 3.551 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1[O-] ZINC001184054617 1133891225 /nfs/dbraw/zinc/89/12/25/1133891225.db2.gz HXZJNSZNLVCWMQ-LSDHHAIUSA-N 0 3 340.261 3.510 20 10 EHCDHN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(OC)ccc1O ZINC000787333295 1133991091 /nfs/dbraw/zinc/99/10/91/1133991091.db2.gz UEALREKZCOFJIF-QGZVFWFLSA-N 0 3 335.831 3.874 20 10 EHCDHN C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CCCC1 ZINC000788550061 1134141787 /nfs/dbraw/zinc/14/17/87/1134141787.db2.gz WZEYSDQCWNZDPP-STQMWFEESA-N 0 3 330.394 3.794 20 10 EHCDHN C[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)c1ccc(N(C)C)cc1 ZINC000775366017 1134670413 /nfs/dbraw/zinc/67/04/13/1134670413.db2.gz YQYYNHBBHPUMHY-OAHLLOKOSA-N 0 3 338.430 3.928 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000775416644 1134759477 /nfs/dbraw/zinc/75/94/77/1134759477.db2.gz VYWDQTBQNUEVCX-OALUTQOASA-N 0 3 338.451 3.937 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1[O-] ZINC000775501252 1134962584 /nfs/dbraw/zinc/96/25/84/1134962584.db2.gz DMIGANRBYWNHBN-RHSMWYFYSA-N 0 3 332.394 3.990 20 10 EHCDHN CC[C@@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)c1ccccc1[O-] ZINC000775527885 1135012490 /nfs/dbraw/zinc/01/24/90/1135012490.db2.gz VODIZRTUVKIGMT-QGZVFWFLSA-N 0 3 328.412 3.854 20 10 EHCDHN COc1ccccc1CN(Cc1cccc(C)c1O)C[C@@H]1CCCO1 ZINC000775656327 1135425595 /nfs/dbraw/zinc/42/55/95/1135425595.db2.gz DFUWUPJDHGRRCV-IBGZPJMESA-N 0 3 341.451 3.890 20 10 EHCDHN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808679669 1135716012 /nfs/dbraw/zinc/71/60/12/1135716012.db2.gz WRVCGESYWYYJTG-LRDDRELGSA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1[O-] ZINC000808701758 1135726909 /nfs/dbraw/zinc/72/69/09/1135726909.db2.gz HKTFZALGNQLCQY-JSGCOSHPSA-N 0 3 349.837 3.818 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc3c(cc2Cl)OCCO3)c1 ZINC000808743553 1135734429 /nfs/dbraw/zinc/73/44/29/1135734429.db2.gz IBFSXNLJJZDKTR-NSHDSACASA-N 0 3 349.814 3.676 20 10 EHCDHN CN(C)c1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1F ZINC000809655934 1135866451 /nfs/dbraw/zinc/86/64/51/1135866451.db2.gz SNWHYOKTPFZXRQ-LJQANCHMSA-N 0 3 330.447 3.741 20 10 EHCDHN Cc1cccc(CNCc2ccncc2OCc2ccccc2)c1O ZINC000809689812 1135867541 /nfs/dbraw/zinc/86/75/41/1135867541.db2.gz VCGXQKXQQAFPIP-UHFFFAOYSA-N 0 3 334.419 3.964 20 10 EHCDHN CN(C)CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)c1[O-] ZINC000809736333 1135878938 /nfs/dbraw/zinc/87/89/38/1135878938.db2.gz PEPRJCCBDOYZPC-UHFFFAOYSA-N 0 3 336.838 3.749 20 10 EHCDHN CN(C)CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)c1[O-] ZINC000809736333 1135878941 /nfs/dbraw/zinc/87/89/41/1135878941.db2.gz PEPRJCCBDOYZPC-UHFFFAOYSA-N 0 3 336.838 3.749 20 10 EHCDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809766387 1135888895 /nfs/dbraw/zinc/88/88/95/1135888895.db2.gz XIHHGESIRJPBOR-LJQANCHMSA-N 0 3 343.446 3.640 20 10 EHCDHN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC001199844471 1135932094 /nfs/dbraw/zinc/93/20/94/1135932094.db2.gz ZRFUNRSXUBREHL-HNNXBMFYSA-N 0 3 344.430 3.522 20 10 EHCDHN CC(C)Nc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC001201498244 1136028567 /nfs/dbraw/zinc/02/85/67/1136028567.db2.gz TVMTXYXQQPVVNW-UHFFFAOYSA-N 0 3 338.499 3.998 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1[O-] ZINC000811513580 1136103719 /nfs/dbraw/zinc/10/37/19/1136103719.db2.gz KNQJDCRZMONAAB-QGZVFWFLSA-N 0 3 337.872 3.993 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1[O-] ZINC000811513578 1136103845 /nfs/dbraw/zinc/10/38/45/1136103845.db2.gz KNQJDCRZMONAAB-KRWDZBQOSA-N 0 3 337.872 3.993 20 10 EHCDHN COc1cc(CN[C@@H](CO)c2cccc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850138855 1136214142 /nfs/dbraw/zinc/21/41/42/1136214142.db2.gz KNUQOIHDZOKMEN-SFHVURJKSA-N 0 3 347.430 3.661 20 10 EHCDHN CCOc1cccc(CNCc2cccc(OC3CC3)c2F)c1O ZINC000850365386 1136241823 /nfs/dbraw/zinc/24/18/23/1136241823.db2.gz NFMPHAHSMHRMRB-UHFFFAOYSA-N 0 3 331.387 3.761 20 10 EHCDHN CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000812780536 1136246527 /nfs/dbraw/zinc/24/65/27/1136246527.db2.gz HUJJNTLFHQUJFY-GOSISDBHSA-N 0 3 327.424 3.582 20 10 EHCDHN CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000812780536 1136246530 /nfs/dbraw/zinc/24/65/30/1136246530.db2.gz HUJJNTLFHQUJFY-GOSISDBHSA-N 0 3 327.424 3.582 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(OC)cc3F)C2)cc1 ZINC000850488573 1136269454 /nfs/dbraw/zinc/26/94/54/1136269454.db2.gz NISCTVKDZUYFNH-GJZGRUSLSA-N 0 3 344.430 3.772 20 10 EHCDHN CC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(F)cn1 ZINC000850489987 1136270104 /nfs/dbraw/zinc/27/01/04/1136270104.db2.gz ZJVBAOHQMTYSHG-QAPCUYQASA-N 0 3 329.419 3.549 20 10 EHCDHN COC(=O)c1nc(CN[C@@H](C)c2ccc(C)c(C)c2O)ccc1Cl ZINC000850512973 1136274458 /nfs/dbraw/zinc/27/44/58/1136274458.db2.gz BJKIYPJNUAZFLF-LBPRGKRZSA-N 0 3 348.830 3.695 20 10 EHCDHN COc1cccc([C@H](C)NCc2cc(F)ccc2OC(F)F)c1O ZINC000850569350 1136288456 /nfs/dbraw/zinc/28/84/56/1136288456.db2.gz AUPVOPHJTJPDPO-JTQLQIEISA-N 0 3 341.329 3.992 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000850580266 1136291791 /nfs/dbraw/zinc/29/17/91/1136291791.db2.gz JOZXWFIWCCIPIA-MGPLVRAMSA-N 0 3 325.330 3.502 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2cc3ccccc3n(C)c2=O)cc1 ZINC000813881950 1136372658 /nfs/dbraw/zinc/37/26/58/1136372658.db2.gz XTPZOSWNHDNBGU-MRXNPFEDSA-N 0 3 349.478 3.845 20 10 EHCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCCC1)[C@H]1CCOC1 ZINC000851769644 1136406392 /nfs/dbraw/zinc/40/63/92/1136406392.db2.gz KIPLFIZAFLRTMX-PXNSSMCTSA-N 0 3 333.472 3.578 20 10 EHCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCCC1)[C@H]1CCOC1 ZINC000851769644 1136406393 /nfs/dbraw/zinc/40/63/93/1136406393.db2.gz KIPLFIZAFLRTMX-PXNSSMCTSA-N 0 3 333.472 3.578 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000851879309 1136415658 /nfs/dbraw/zinc/41/56/58/1136415658.db2.gz HYMVJSAEMXDCDH-YJBOKZPZSA-N 0 3 325.408 3.661 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000851879309 1136415660 /nfs/dbraw/zinc/41/56/60/1136415660.db2.gz HYMVJSAEMXDCDH-YJBOKZPZSA-N 0 3 325.408 3.661 20 10 EHCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000815632973 1136621770 /nfs/dbraw/zinc/62/17/70/1136621770.db2.gz CJKKBRLWWNSWTL-YPMHNXCESA-N 0 3 326.868 3.557 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000776865240 1136749070 /nfs/dbraw/zinc/74/90/70/1136749070.db2.gz QOWFNPHSIPRJMX-OAGGEKHMSA-N 0 3 334.460 3.608 20 10 EHCDHN Cc1ccc(O[C@H]2CCN(C/C=C/c3ccc(N(C)C)cc3)C2)nc1 ZINC000858013390 1136931118 /nfs/dbraw/zinc/93/11/18/1136931118.db2.gz ICNDTNUMRBIZOI-SGSXCFNPSA-N 0 3 337.467 3.623 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3nc(C)cs3)C2)cc1 ZINC000858427375 1136966913 /nfs/dbraw/zinc/96/69/13/1136966913.db2.gz FOPYFRFXWCYJST-GJZGRUSLSA-N 0 3 331.485 3.637 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2[O-] ZINC000858453813 1136969324 /nfs/dbraw/zinc/96/93/24/1136969324.db2.gz ZGQDPSPHPJYFRU-KWQFWETISA-N 0 3 343.324 3.622 20 10 EHCDHN C[C@H]1C[C@H](NCc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2O ZINC000858453813 1136969327 /nfs/dbraw/zinc/96/93/27/1136969327.db2.gz ZGQDPSPHPJYFRU-KWQFWETISA-N 0 3 343.324 3.622 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H]1CCCO1 ZINC000822739728 1137072572 /nfs/dbraw/zinc/07/25/72/1137072572.db2.gz HFJMZTGZJCRSRF-HUUCEWRRSA-N 0 3 344.282 3.957 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H]1CCCO1 ZINC000822739728 1137072574 /nfs/dbraw/zinc/07/25/74/1137072574.db2.gz HFJMZTGZJCRSRF-HUUCEWRRSA-N 0 3 344.282 3.957 20 10 EHCDHN CCOc1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c([O-])c1 ZINC000825187940 1137167512 /nfs/dbraw/zinc/16/75/12/1137167512.db2.gz FRIASILPGIYVPQ-UHFFFAOYSA-N 0 3 341.451 3.672 20 10 EHCDHN CCOc1ccc(O)c(CN(C)Cc2cc(OC)c(OC)cc2C)c1 ZINC000120106456 1137233975 /nfs/dbraw/zinc/23/39/75/1137233975.db2.gz XPYMNAZMIQDOSJ-UHFFFAOYSA-N 0 3 345.439 3.749 20 10 EHCDHN CC[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794800603 1137252113 /nfs/dbraw/zinc/25/21/13/1137252113.db2.gz DJQAZLGOSUFINS-RBUKOAKNSA-N 0 3 340.467 3.961 20 10 EHCDHN CC[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(C)cc1[O-] ZINC000794805967 1137259078 /nfs/dbraw/zinc/25/90/78/1137259078.db2.gz ZNJSWBZECUGVGP-KRWDZBQOSA-N 0 3 330.497 3.861 20 10 EHCDHN CC[C@@H](NCc1cccc(OC)c1O)c1cccc(OC)c1OC ZINC000865758235 1137309159 /nfs/dbraw/zinc/30/91/59/1137309159.db2.gz APHRVOJBSBQTIC-OAHLLOKOSA-N 0 3 331.412 3.659 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c([O-])c1 ZINC000846015431 1137325909 /nfs/dbraw/zinc/32/59/09/1137325909.db2.gz MZJNQRHJDQBAOR-UHFFFAOYSA-N 0 3 333.325 3.657 20 10 EHCDHN C[C@@H](CO)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000846057343 1137327486 /nfs/dbraw/zinc/32/74/86/1137327486.db2.gz HGVAHOXOTSFWKX-ZDUSSCGKSA-N 0 3 344.421 3.612 20 10 EHCDHN CC1(C)C[C@H](NCc2cc3c(cc2O)OCO3)c2cc(F)ccc2O1 ZINC000846053144 1137330589 /nfs/dbraw/zinc/33/05/89/1137330589.db2.gz SMAUDQOWXUGSRM-AWEZNQCLSA-N 0 3 345.370 3.652 20 10 EHCDHN C/C(=C/c1cccnc1)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000846882402 1137373382 /nfs/dbraw/zinc/37/33/82/1137373382.db2.gz JSEMQBYFDHKJOS-VLGSPTGOSA-N 0 3 335.451 3.614 20 10 EHCDHN CN1CCN(c2ccc(NCc3cc4ccccc4cc3O)cc2)CC1 ZINC001171405143 1137472595 /nfs/dbraw/zinc/47/25/95/1137472595.db2.gz QGEVIMOZPVGLFB-UHFFFAOYSA-N 0 3 347.462 3.909 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000877056109 1137668859 /nfs/dbraw/zinc/66/88/59/1137668859.db2.gz YPPVDBRTOFLTKJ-LPHOPBHVSA-N 0 3 330.497 3.935 20 10 EHCDHN COc1ccc([C@H](O)C2CC[NH+](Cc3c(C)cccc3[O-])CC2)cc1 ZINC000877542021 1137680488 /nfs/dbraw/zinc/68/04/88/1137680488.db2.gz OCJDDEIQLKMKEW-NRFANRHFSA-N 0 3 341.451 3.655 20 10 EHCDHN Cc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c([O-])c1 ZINC000877552127 1137681016 /nfs/dbraw/zinc/68/10/16/1137681016.db2.gz REKXAQZEMADCAI-UHFFFAOYSA-N 0 3 329.415 3.721 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000877565103 1137681390 /nfs/dbraw/zinc/68/13/90/1137681390.db2.gz SIJUWYNFIOMNHW-UHFFFAOYSA-N 0 3 326.444 3.552 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000877565103 1137681391 /nfs/dbraw/zinc/68/13/91/1137681391.db2.gz SIJUWYNFIOMNHW-UHFFFAOYSA-N 0 3 326.444 3.552 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000877577403 1137681955 /nfs/dbraw/zinc/68/19/55/1137681955.db2.gz WMEXDRSTTNMTBZ-UHFFFAOYSA-N 0 3 330.394 3.549 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000877577403 1137681956 /nfs/dbraw/zinc/68/19/56/1137681956.db2.gz WMEXDRSTTNMTBZ-UHFFFAOYSA-N 0 3 330.394 3.549 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877583472 1137682138 /nfs/dbraw/zinc/68/21/38/1137682138.db2.gz IEEFZZKYNQEGSW-INIZCTEOSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877583472 1137682139 /nfs/dbraw/zinc/68/21/39/1137682139.db2.gz IEEFZZKYNQEGSW-INIZCTEOSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1ccc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000877663674 1137684913 /nfs/dbraw/zinc/68/49/13/1137684913.db2.gz FOMNPFBEKOYPHS-OAHLLOKOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1[O-] ZINC000877666930 1137685101 /nfs/dbraw/zinc/68/51/01/1137685101.db2.gz CNPSAQQVLXDPBS-UHFFFAOYSA-N 0 3 347.842 3.863 20 10 EHCDHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649743 1137753690 /nfs/dbraw/zinc/75/36/90/1137753690.db2.gz TZOMMCRRPKMCRB-IAGOWNOFSA-N 0 3 340.467 3.869 20 10 EHCDHN CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000879649977 1137753787 /nfs/dbraw/zinc/75/37/87/1137753787.db2.gz WGNDJKMNDBVCKF-JLTOFOAXSA-N 0 3 344.430 3.695 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000130212314 1137835150 /nfs/dbraw/zinc/83/51/50/1137835150.db2.gz MFOSCUTZOQISFP-KKUMJFAQSA-N 0 3 334.460 3.879 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(C)cc1[O-] ZINC000883263057 1137851304 /nfs/dbraw/zinc/85/13/04/1137851304.db2.gz FUXBEHLWGFOGOU-SJLPKXTDSA-N 0 3 333.472 3.717 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2ccnc(-c3ccccn3)n2)c(O)c1C ZINC000883293946 1137853259 /nfs/dbraw/zinc/85/32/59/1137853259.db2.gz LLFYBFSMUZFNCG-OAHLLOKOSA-N 0 3 334.423 3.712 20 10 EHCDHN COc1cc(CN(C)Cc2ccccc2O)c(SC)cc1OC ZINC000091956499 1138223603 /nfs/dbraw/zinc/22/36/03/1138223603.db2.gz BAHLVBQQWUSEPJ-UHFFFAOYSA-N 0 3 333.453 3.763 20 10 EHCDHN COCCc1nc(C)c([C@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000092720653 1138231128 /nfs/dbraw/zinc/23/11/28/1138231128.db2.gz OZIMNAOSTDBZOU-ZDUSSCGKSA-N 0 3 333.501 3.557 20 10 EHCDHN Cc1cc2ncc([C@H](C)NCc3ccc4c(c3)CCCN4C)c(C)n2n1 ZINC000093403447 1138237515 /nfs/dbraw/zinc/23/75/15/1138237515.db2.gz MBSAORXCLWAIKB-HNNXBMFYSA-N 0 3 349.482 3.579 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2cccnc2-n2cccn2)cc1 ZINC000177903422 1139653401 /nfs/dbraw/zinc/65/34/01/1139653401.db2.gz CZXITCJPOKBBHX-INIZCTEOSA-N 0 3 335.455 3.574 20 10 EHCDHN CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccccc1[O-])O[C@H](C)C2 ZINC000179903028 1139791916 /nfs/dbraw/zinc/79/19/16/1139791916.db2.gz QKBDNNWOJVLERW-KGLIPLIRSA-N 0 3 327.424 3.965 20 10 EHCDHN CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccccc3[O-])ccc2NC1=O ZINC000183540388 1140045757 /nfs/dbraw/zinc/04/57/57/1140045757.db2.gz PJWCPNPWPZBOIV-LXIYXOSZSA-N 0 3 340.423 3.914 20 10 EHCDHN C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ccccc1[O-] ZINC000183724631 1140055002 /nfs/dbraw/zinc/05/50/02/1140055002.db2.gz AHUZAHDVCVBEQH-INIZCTEOSA-N 0 3 327.424 3.957 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000185160827 1140138405 /nfs/dbraw/zinc/13/84/05/1140138405.db2.gz HCOMBKKAHGSQRM-CHWSQXEVSA-N 0 3 344.386 3.900 20 10 EHCDHN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185470868 1140151504 /nfs/dbraw/zinc/15/15/04/1140151504.db2.gz FXBORGZBLAOVEE-YJYMSZOUSA-N 0 3 333.403 3.703 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)c([O-])c1 ZINC000185479078 1140152211 /nfs/dbraw/zinc/15/22/11/1140152211.db2.gz KJSCUZIUIOKKNT-FOIQADDNSA-N 0 3 329.440 3.872 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCCCO)c1[O-] ZINC000187421175 1140255152 /nfs/dbraw/zinc/25/51/52/1140255152.db2.gz HHFIZEFOBFCMHI-GFCCVEGCSA-N 0 3 330.266 3.666 20 10 EHCDHN Fc1cc(CNCc2cc(Cl)cs2)ccc1N1CCOCC1 ZINC000193012492 1140559981 /nfs/dbraw/zinc/55/99/81/1140559981.db2.gz FTLDSHJVVCDBNQ-UHFFFAOYSA-N 0 3 340.851 3.667 20 10 EHCDHN CCOc1ccc(O)c(CN[C@@H](COC)c2ccc(Cl)cc2)c1 ZINC000193276056 1140568174 /nfs/dbraw/zinc/56/81/74/1140568174.db2.gz FLTMMGUAMVLLLI-KRWDZBQOSA-N 0 3 335.831 3.922 20 10 EHCDHN [O-]c1ccccc1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000268838439 1141004013 /nfs/dbraw/zinc/00/40/13/1141004013.db2.gz OAZTZYUSGCBFJW-UHFFFAOYSA-N 0 3 348.849 3.939 20 10 EHCDHN Cc1cc(O)c(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C ZINC000160180655 1014202340 /nfs/dbraw/zinc/20/23/40/1014202340.db2.gz HUJJXUCHFBYSEW-LJQANCHMSA-N 0 3 341.451 3.896 20 10 EHCDHN Cc1cc(O)c(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C ZINC000160180655 1014202348 /nfs/dbraw/zinc/20/23/48/1014202348.db2.gz HUJJXUCHFBYSEW-LJQANCHMSA-N 0 3 341.451 3.896 20 10 EHCDHN Cc1cc(O)c(CNCc2nc3cc(Cl)ccc3n2C)cc1C ZINC000275046340 1015815345 /nfs/dbraw/zinc/81/53/45/1015815345.db2.gz JDLXUSKXZGOOLC-UHFFFAOYSA-N 0 3 329.831 3.839 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)c1[O-] ZINC000275141508 1016096126 /nfs/dbraw/zinc/09/61/26/1016096126.db2.gz RNDYZIVFIXOWFO-HUBLWGQQSA-N 0 3 342.277 3.665 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1[O-] ZINC000155135510 1016198472 /nfs/dbraw/zinc/19/84/72/1016198472.db2.gz OZKAYCLEDOQCAL-AWEZNQCLSA-N 0 3 340.345 3.969 20 10 EHCDHN CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccccc2[O-])c1 ZINC000155191275 1016280675 /nfs/dbraw/zinc/28/06/75/1016280675.db2.gz SBLFZGLTFDEJMG-SFHVURJKSA-N 0 3 326.440 3.773 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H](C)CO)c1[O-] ZINC000275340647 1016469798 /nfs/dbraw/zinc/46/97/98/1016469798.db2.gz OSUUYXWBDDUOAJ-CMPLNLGQSA-N 0 3 330.266 3.522 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000183315734 1032190074 /nfs/dbraw/zinc/19/00/74/1032190074.db2.gz HTBKDEBTXSJGJU-RTBURBONSA-N 0 3 338.451 3.624 20 10 EHCDHN CCCN(CCC)c1ccc(CNCc2ccc(C)n(C)c2=O)cc1 ZINC000278745213 1032281610 /nfs/dbraw/zinc/28/16/10/1032281610.db2.gz MTIZWEODZXIYBF-UHFFFAOYSA-N 0 3 341.499 3.610 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185134605 1032352992 /nfs/dbraw/zinc/35/29/92/1032352992.db2.gz KCKVNPARYRDCGT-GFCCVEGCSA-N 0 3 329.350 3.707 20 10 EHCDHN CCN1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000729282380 1019263621 /nfs/dbraw/zinc/26/36/21/1019263621.db2.gz URQBFOBSCXYCKB-HXUWFJFHSA-N 0 3 343.515 3.510 20 10 EHCDHN Cc1ccnc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ccc12 ZINC001167434094 1020004458 /nfs/dbraw/zinc/00/44/58/1020004458.db2.gz BFFQHPLQINORJH-UHFFFAOYSA-N 0 3 346.478 3.907 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1F ZINC000280074141 1020061726 /nfs/dbraw/zinc/06/17/26/1020061726.db2.gz LHRUJDWKXYKVJI-KRWDZBQOSA-N 0 3 330.451 3.573 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C)cc1[O-] ZINC000280138246 1020105121 /nfs/dbraw/zinc/10/51/21/1020105121.db2.gz PMZBJJPLQLWDJG-OAHLLOKOSA-N 0 3 330.384 3.858 20 10 EHCDHN CN(C)c1ccc(CNCc2cccc(CO)c2)c(C(F)(F)F)c1 ZINC000280665887 1020556886 /nfs/dbraw/zinc/55/68/86/1020556886.db2.gz BZYHLQWDRMBQFT-UHFFFAOYSA-N 0 3 338.373 3.554 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@]2(C)CC=CCC2)c1[O-] ZINC000839191192 1021823726 /nfs/dbraw/zinc/82/37/26/1021823726.db2.gz GAOVFUDQUNXGBW-OAHLLOKOSA-N 0 3 326.234 3.752 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(C)cc1[O-] ZINC000375643929 1022376345 /nfs/dbraw/zinc/37/63/45/1022376345.db2.gz LVQRNMGHVNPAQN-YOEHRIQHSA-N 0 3 329.419 3.554 20 10 EHCDHN CC[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1[O-] ZINC000156536514 1022733937 /nfs/dbraw/zinc/73/39/37/1022733937.db2.gz BBARDELQIJKDQD-IBGZPJMESA-N 0 3 338.451 3.756 20 10 EHCDHN CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000176163995 1023438183 /nfs/dbraw/zinc/43/81/83/1023438183.db2.gz FLBIJVZKXFNSCO-ZDUSSCGKSA-N 0 3 349.471 3.559 20 10 EHCDHN COc1ccc(CN(C)[C@H](C)c2sc(C)nc2C)c(O)c1OC ZINC000891991630 1024237664 /nfs/dbraw/zinc/23/76/64/1024237664.db2.gz FMUWKQIVFCVEDZ-LLVKDONJSA-N 0 3 336.457 3.676 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1[O-] ZINC000895821897 1024873771 /nfs/dbraw/zinc/87/37/71/1024873771.db2.gz LCGRCQXDXCVJJE-QGZVFWFLSA-N 0 3 339.863 3.883 20 10 EHCDHN COc1ccc(CN(C)Cc2ccc(Cl)c(F)c2)c(O)c1OC ZINC000892161879 1025119932 /nfs/dbraw/zinc/11/99/32/1025119932.db2.gz RMZZDMKXNVPKLZ-UHFFFAOYSA-N 0 3 339.794 3.834 20 10 EHCDHN C[C@H](NCc1ccncc1OCC(F)(F)F)c1cc(F)ccc1O ZINC000281793624 1025484519 /nfs/dbraw/zinc/48/45/19/1025484519.db2.gz XYNGXEXXMNVQAK-JTQLQIEISA-N 0 3 344.308 3.718 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000897269456 1026620737 /nfs/dbraw/zinc/62/07/37/1026620737.db2.gz GFKBPWFYHMCEHE-AWEZNQCLSA-N 0 3 339.863 3.693 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000897269456 1026620742 /nfs/dbraw/zinc/62/07/42/1026620742.db2.gz GFKBPWFYHMCEHE-AWEZNQCLSA-N 0 3 339.863 3.693 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1[O-] ZINC000273755918 1027601759 /nfs/dbraw/zinc/60/17/59/1027601759.db2.gz OHINWKYJGFTWQG-HIFRSBDPSA-N 0 3 327.852 3.738 20 10 EHCDHN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cccnc1 ZINC000271379785 1029037422 /nfs/dbraw/zinc/03/74/22/1029037422.db2.gz QRCZOMWEVMQADR-BZUAXINKSA-N 0 3 343.446 3.685 20 10 EHCDHN C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccccc1[O-] ZINC000091956620 1030346011 /nfs/dbraw/zinc/34/60/11/1030346011.db2.gz GOOAHWNGNWHMFT-UHFFFAOYSA-N 0 3 329.350 3.693 20 10 EHCDHN C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccccc1[O-] ZINC000091956620 1030346029 /nfs/dbraw/zinc/34/60/29/1030346029.db2.gz GOOAHWNGNWHMFT-UHFFFAOYSA-N 0 3 329.350 3.693 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)c2c1c(F)ccc2[O-] ZINC000527960767 1031525638 /nfs/dbraw/zinc/52/56/38/1031525638.db2.gz DXFNNGBJHOLTIY-MEDUHNTESA-N 0 3 325.387 3.756 20 10 EHCDHN CC[C@H](NCc1cc(C(F)(F)F)nn1C)c1ccc(N(C)C)cc1 ZINC000926931561 1031534879 /nfs/dbraw/zinc/53/48/79/1031534879.db2.gz NVBZPXDSGVZGRJ-HNNXBMFYSA-N 0 3 340.393 3.746 20 10 EHCDHN C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000310050878 1034204997 /nfs/dbraw/zinc/20/49/97/1034204997.db2.gz AJJFFCDLWZNQHR-GFCCVEGCSA-N 0 3 338.423 3.581 20 10 EHCDHN CCN(CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-])C(=O)OC(C)(C)C ZINC000310076520 1034223738 /nfs/dbraw/zinc/22/37/38/1034223738.db2.gz OQOZKPUOSLRMBN-HNNXBMFYSA-N 0 3 336.476 3.998 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310081875 1034256216 /nfs/dbraw/zinc/25/62/16/1034256216.db2.gz YJFDUPFCWVMGGO-ZBFHGGJFSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1[O-] ZINC000761215253 1034579116 /nfs/dbraw/zinc/57/91/16/1034579116.db2.gz HYCKNXIOBPZDFM-OSAQELSMSA-N 0 3 345.917 3.523 20 10 EHCDHN COc1ccc(CN[C@H]2CCSc3c(F)cccc32)c(O)c1OC ZINC000892507896 1035138706 /nfs/dbraw/zinc/13/87/06/1035138706.db2.gz DMTGKEIVSQYFSY-AWEZNQCLSA-N 0 3 349.427 3.875 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098178 1035383541 /nfs/dbraw/zinc/38/35/41/1035383541.db2.gz VVLUMDYGIZCUCS-UHFFFAOYSA-N 0 3 348.450 3.563 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185681082 1039177408 /nfs/dbraw/zinc/17/74/08/1039177408.db2.gz SMYPVUIQJIAVFY-KBPBESRZSA-N 0 3 332.394 3.908 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C)cc1[O-] ZINC000279942916 1039594300 /nfs/dbraw/zinc/59/43/00/1039594300.db2.gz BHYHQPHEOXJYIV-FQEVSTJZSA-N 0 3 340.467 3.778 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)N[C@H](CCO)c2ccc(OC)cc2)cc1 ZINC000245674536 1040165882 /nfs/dbraw/zinc/16/58/82/1040165882.db2.gz KVWJMDXDPZSUJO-IIBYNOLFSA-N 0 3 342.483 3.926 20 10 EHCDHN C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1cc(F)ccc1[O-] ZINC000756604811 1041230587 /nfs/dbraw/zinc/23/05/87/1041230587.db2.gz FTGLBOYVFIKXLK-VIFPVBQESA-N 0 3 344.217 3.996 20 10 EHCDHN C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccccc1[O-] ZINC000183533312 1125594845 /nfs/dbraw/zinc/59/48/45/1125594845.db2.gz SAQBCTBLXVGHAG-INIZCTEOSA-N 0 3 339.483 3.778 20 10 EHCDHN C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1cc(F)ccc1[O-] ZINC000184911518 1126708212 /nfs/dbraw/zinc/70/82/12/1126708212.db2.gz YTHZNXLHUIOKHC-AWEZNQCLSA-N 0 3 325.387 3.627 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185400272 1126885599 /nfs/dbraw/zinc/88/55/99/1126885599.db2.gz MPJOOUXPRPFKSN-OCCSQVGLSA-N 0 3 338.423 3.581 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1cc(F)ccc1[O-] ZINC000185459066 1126904145 /nfs/dbraw/zinc/90/41/45/1126904145.db2.gz KEOHSRZJDICJCH-ZBEGNZNMSA-N 0 3 338.373 3.763 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185681026 1126982234 /nfs/dbraw/zinc/98/22/34/1126982234.db2.gz SMYPVUIQJIAVFY-ZIAGYGMSSA-N 0 3 332.394 3.908 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000188636301 1127126685 /nfs/dbraw/zinc/12/66/85/1127126685.db2.gz CMCGIEYTEYFOMU-XEZPLFJOSA-N 0 3 331.378 3.835 20 10 EHCDHN C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2cc(F)cc(F)c2[O-])C1 ZINC001648927553 1120225343 /nfs/dbraw/zinc/22/53/43/1120225343.db2.gz ZDSHAGRJNMUZOK-STQMWFEESA-N 0 3 326.431 3.517 20 10 EHCDHN COCCCOc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000922123398 1129125079 /nfs/dbraw/zinc/12/50/79/1129125079.db2.gz VEJKMSWBKPZYLD-UHFFFAOYSA-N 0 3 341.451 3.717 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179891771 1123882767 /nfs/dbraw/zinc/88/27/67/1123882767.db2.gz VPMDXLCSCMVNMG-CZUORRHYSA-N 0 3 344.842 3.892 20 10 EHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cc1OC ZINC000179903753 1123894851 /nfs/dbraw/zinc/89/48/51/1123894851.db2.gz JVMYYBRKTHIAFD-INIZCTEOSA-N 0 3 331.387 3.886 20 10 EHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cc1OC ZINC000179903753 1123894854 /nfs/dbraw/zinc/89/48/54/1123894854.db2.gz JVMYYBRKTHIAFD-INIZCTEOSA-N 0 3 331.387 3.886 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c([O-])c1 ZINC000922775201 1129656840 /nfs/dbraw/zinc/65/68/40/1129656840.db2.gz IHDHSYVLOZGHSM-SJLPKXTDSA-N 0 3 333.378 3.929 20 10 EHCDHN Cc1ncc(/C=C\C(=O)N(CCN2CCCC2)c2ccccc2)s1 ZINC000739648782 1131508539 /nfs/dbraw/zinc/50/85/39/1131508539.db2.gz IVDIQKZRVIIJJM-KTKRTIGZSA-N 0 3 341.480 3.594 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001173052124 1131944311 /nfs/dbraw/zinc/94/43/11/1131944311.db2.gz CQRUZGFJVMGCOI-RBSFLKMASA-N 0 3 334.460 3.831 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC001175419188 1132663414 /nfs/dbraw/zinc/66/34/14/1132663414.db2.gz SLZNPGNUSPRHCH-SNVBAGLBSA-N 0 3 339.222 3.988 20 10 EHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000766608386 1132686047 /nfs/dbraw/zinc/68/60/47/1132686047.db2.gz AXDXARUSSRZONS-JXFKEZNVSA-N 0 3 337.467 3.599 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC001177548821 1133081075 /nfs/dbraw/zinc/08/10/75/1133081075.db2.gz TVAGDOFTSBNBSP-UHFFFAOYSA-N 0 3 325.431 3.982 20 10 EHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C ZINC000768162572 1133103576 /nfs/dbraw/zinc/10/35/76/1133103576.db2.gz QPNIGSNUACEPDA-LJQANCHMSA-N 0 3 341.451 3.890 20 10 EHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1C ZINC000768162572 1133103578 /nfs/dbraw/zinc/10/35/78/1133103578.db2.gz QPNIGSNUACEPDA-LJQANCHMSA-N 0 3 341.451 3.890 20 10 EHCDHN Cc1cncc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000768196765 1133111457 /nfs/dbraw/zinc/11/14/57/1133111457.db2.gz FUGDEJASDQKGJL-IAGOWNOFSA-N 0 3 325.456 3.638 20 10 EHCDHN COc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1OC ZINC000768257522 1133118306 /nfs/dbraw/zinc/11/83/06/1133118306.db2.gz KMSRZJFHNLICCX-UHFFFAOYSA-N 0 3 340.467 3.934 20 10 EHCDHN [O-]c1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3)CCCC1)[C@@H](O)CO2 ZINC000768442121 1133139344 /nfs/dbraw/zinc/13/93/44/1133139344.db2.gz JBVLUWVQVQCMDE-SFHVURJKSA-N 0 3 343.398 3.516 20 10 EHCDHN C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465518 1133144743 /nfs/dbraw/zinc/14/47/43/1133144743.db2.gz ILMUYLLNJOVJFF-LWLIDHTLSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465518 1133144746 /nfs/dbraw/zinc/14/47/46/1133144746.db2.gz ILMUYLLNJOVJFF-LWLIDHTLSA-N 0 3 343.398 3.540 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c([O-])c1 ZINC000769242896 1133249994 /nfs/dbraw/zinc/24/99/94/1133249994.db2.gz LYXRHKWGNPSCLW-TZIWHRDSSA-N 0 3 341.451 3.879 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c([O-])c1 ZINC000769242896 1133249998 /nfs/dbraw/zinc/24/99/98/1133249998.db2.gz LYXRHKWGNPSCLW-TZIWHRDSSA-N 0 3 341.451 3.879 20 10 EHCDHN CC1=NO[C@H](CNCc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001179479147 1133254111 /nfs/dbraw/zinc/25/41/11/1133254111.db2.gz KLXVMGZXAJZGBT-FQEVSTJZSA-N 0 3 335.451 3.504 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c([O-])c1 ZINC000769498187 1133301796 /nfs/dbraw/zinc/30/17/96/1133301796.db2.gz HNTNDBOLGACYAU-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c([O-])c1 ZINC000769498187 1133301799 /nfs/dbraw/zinc/30/17/99/1133301799.db2.gz HNTNDBOLGACYAU-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C(F)(F)F)cn2)c1 ZINC000769786476 1133345487 /nfs/dbraw/zinc/34/54/87/1133345487.db2.gz JIDURAUXBXKFHZ-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(C)cc(OC)cc1[O-] ZINC001180479298 1133374440 /nfs/dbraw/zinc/37/44/40/1133374440.db2.gz KTHRHQBHJKLJTR-UHFFFAOYSA-N 0 3 328.456 3.797 20 10 EHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(C)cc(OC)cc1[O-] ZINC001180479298 1133374446 /nfs/dbraw/zinc/37/44/46/1133374446.db2.gz KTHRHQBHJKLJTR-UHFFFAOYSA-N 0 3 328.456 3.797 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1c(F)cccc1F ZINC000774481713 1133687379 /nfs/dbraw/zinc/68/73/79/1133687379.db2.gz CMFOJKIGVWZNPH-STQMWFEESA-N 0 3 347.409 3.709 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000774480798 1133687403 /nfs/dbraw/zinc/68/74/03/1133687403.db2.gz DWCQZIJJPAUJOF-NXOAAHMSSA-N 0 3 331.504 3.581 20 10 EHCDHN Cc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484941 1133688011 /nfs/dbraw/zinc/68/80/11/1133688011.db2.gz UBAWUHVPENQVAQ-HZPDHXFCSA-N 0 3 325.456 3.739 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCc2nsc3ccccc23)c1[O-] ZINC001183075380 1133762305 /nfs/dbraw/zinc/76/23/05/1133762305.db2.gz RMIFAMGOWKXGAB-UHFFFAOYSA-N 0 3 348.855 3.996 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)CC1CCCC1 ZINC000789348782 1134253648 /nfs/dbraw/zinc/25/36/48/1134253648.db2.gz QVTZKOWEHYPGKT-GOSISDBHSA-N 0 3 329.440 3.929 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775131165 1134361642 /nfs/dbraw/zinc/36/16/42/1134361642.db2.gz SSBGIHZWYQDHJC-BDJLRTHQSA-N 0 3 325.330 3.795 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775137026 1134367440 /nfs/dbraw/zinc/36/74/40/1134367440.db2.gz QBNJYWYLKZMFNY-MEDUHNTESA-N 0 3 325.330 3.795 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnc(-c3ccccc3)nc2)c1 ZINC000775369444 1134672707 /nfs/dbraw/zinc/67/27/07/1134672707.db2.gz CQZUOXRXSUDYLK-AWEZNQCLSA-N 0 3 335.407 3.709 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000775512795 1134983024 /nfs/dbraw/zinc/98/30/24/1134983024.db2.gz MYRPTIWGGYNUEI-CXAGYDPISA-N 0 3 332.394 3.990 20 10 EHCDHN CCN(Cc1cn(C)nc1C(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000775637564 1135371813 /nfs/dbraw/zinc/37/18/13/1135371813.db2.gz ROXJRLCGHUWIPV-UHFFFAOYSA-N 0 3 328.504 3.806 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)c1ccccc1[O-] ZINC001197004216 1135639584 /nfs/dbraw/zinc/63/95/84/1135639584.db2.gz QCPAPRQXQANUHT-KGLIPLIRSA-N 0 3 335.407 3.618 20 10 EHCDHN Cc1cc(CCNCc2cn(C(C)C)nn2)c(C)n1-c1ccccc1 ZINC000808377273 1135656057 /nfs/dbraw/zinc/65/60/57/1135656057.db2.gz KRXYJONWPTYLDM-UHFFFAOYSA-N 0 3 337.471 3.599 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1[O-] ZINC000808673846 1135714429 /nfs/dbraw/zinc/71/44/29/1135714429.db2.gz JTTXDZJWYVIZFR-CYBMUJFWSA-N 0 3 348.878 3.565 20 10 EHCDHN C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[O-] ZINC000808727966 1135724610 /nfs/dbraw/zinc/72/46/10/1135724610.db2.gz LNTZTQDUVMGXDQ-GFCCVEGCSA-N 0 3 325.368 3.675 20 10 EHCDHN C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc(N(C)C)cc1 ZINC000775832273 1135789289 /nfs/dbraw/zinc/78/92/89/1135789289.db2.gz XVQPKGRYRAGYQM-LBPRGKRZSA-N 0 3 349.837 3.834 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c1[O-] ZINC000810244915 1135947352 /nfs/dbraw/zinc/94/73/52/1135947352.db2.gz JXQJTADGNOMOKV-STQMWFEESA-N 0 3 343.309 3.842 20 10 EHCDHN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003983 1135915707 /nfs/dbraw/zinc/91/57/07/1135915707.db2.gz YYQONYNALUAEFU-GWCFXTLKSA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003983 1135915709 /nfs/dbraw/zinc/91/57/09/1135915709.db2.gz YYQONYNALUAEFU-GWCFXTLKSA-N 0 3 328.250 3.784 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000776015855 1135921397 /nfs/dbraw/zinc/92/13/97/1135921397.db2.gz YAOUIWHCPNNHBG-OAQYLSRUSA-N 0 3 339.435 3.812 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000776015855 1135921400 /nfs/dbraw/zinc/92/14/00/1135921400.db2.gz YAOUIWHCPNNHBG-OAQYLSRUSA-N 0 3 339.435 3.812 20 10 EHCDHN COCCC[N@H+](Cc1ccncc1)Cc1c([O-])ccc2ccccc21 ZINC000106855955 1136154377 /nfs/dbraw/zinc/15/43/77/1136154377.db2.gz BGTLHCDGRCYOAU-UHFFFAOYSA-N 0 3 336.435 3.979 20 10 EHCDHN COCCC[N@@H+](Cc1ccncc1)Cc1c([O-])ccc2ccccc21 ZINC000106855955 1136154379 /nfs/dbraw/zinc/15/43/79/1136154379.db2.gz BGTLHCDGRCYOAU-UHFFFAOYSA-N 0 3 336.435 3.979 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812741548 1136240540 /nfs/dbraw/zinc/24/05/40/1136240540.db2.gz VEVVEIYLJWFEHA-YOEHRIQHSA-N 0 3 342.414 3.686 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850378402 1136245295 /nfs/dbraw/zinc/24/52/95/1136245295.db2.gz BINWCQHTSVCZID-MOPGFXCFSA-N 0 3 345.389 3.963 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(Cl)cn3)C2)cc1 ZINC000850488885 1136269679 /nfs/dbraw/zinc/26/96/79/1136269679.db2.gz OZCFFQYJTDLCIW-DZGCQCFKSA-N 0 3 331.847 3.673 20 10 EHCDHN CC[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(F)cn1 ZINC000850489986 1136270224 /nfs/dbraw/zinc/27/02/24/1136270224.db2.gz ZJVBAOHQMTYSHG-MAUKXSAKSA-N 0 3 329.419 3.549 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(OC)cc3c2O[C@@H](C)C3)c1 ZINC000813331983 1136319296 /nfs/dbraw/zinc/31/92/96/1136319296.db2.gz YTSKCQFFDVOCDQ-QWHCGFSZSA-N 0 3 343.423 3.584 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc3ccccc3nc2OC)c1 ZINC000813331754 1136319327 /nfs/dbraw/zinc/31/93/27/1136319327.db2.gz UCTFFKJFAYPTMF-ZDUSSCGKSA-N 0 3 338.407 3.808 20 10 EHCDHN CCOc1ccc(O)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000813792492 1136362744 /nfs/dbraw/zinc/36/27/44/1136362744.db2.gz ZGZGVHNZIRWPPL-UHFFFAOYSA-N 0 3 330.384 3.724 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c([O-])c1 ZINC000813793548 1136363270 /nfs/dbraw/zinc/36/32/70/1136363270.db2.gz UHKSZYLWMNUVPX-KZULUSFZSA-N 0 3 333.453 3.645 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)Cc1ccccc1 ZINC000111232782 1136524724 /nfs/dbraw/zinc/52/47/24/1136524724.db2.gz TZBMQJBQRYAFQQ-LJQANCHMSA-N 0 3 337.419 3.591 20 10 EHCDHN Cc1cc(CN[C@H](CCc2ccccc2)c2ccccc2O)ncn1 ZINC000815599490 1136616912 /nfs/dbraw/zinc/61/69/12/1136616912.db2.gz UPWNOTBEPLMWGB-HXUWFJFHSA-N 0 3 333.435 3.954 20 10 EHCDHN Cc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])ncn1 ZINC000815599490 1136616913 /nfs/dbraw/zinc/61/69/13/1136616913.db2.gz UPWNOTBEPLMWGB-HXUWFJFHSA-N 0 3 333.435 3.954 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCc1cnccn1 ZINC000815601084 1136617628 /nfs/dbraw/zinc/61/76/28/1136617628.db2.gz NGHNAKGCWSMEKE-HXUWFJFHSA-N 0 3 333.435 3.688 20 10 EHCDHN Oc1ccccc1CN(Cc1nc(-c2ccoc2)no1)C1CCCC1 ZINC000112601363 1136642617 /nfs/dbraw/zinc/64/26/17/1136642617.db2.gz DUVGVVOXVFDSPZ-UHFFFAOYSA-N 0 3 339.395 3.980 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000816521047 1136727366 /nfs/dbraw/zinc/72/73/66/1136727366.db2.gz FAGRGULXTVSXPN-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000816521047 1136727369 /nfs/dbraw/zinc/72/73/69/1136727369.db2.gz FAGRGULXTVSXPN-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000816521047 1136727372 /nfs/dbraw/zinc/72/73/72/1136727372.db2.gz FAGRGULXTVSXPN-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000816521047 1136727374 /nfs/dbraw/zinc/72/73/74/1136727374.db2.gz FAGRGULXTVSXPN-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN COc1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])c(Cl)c1OC ZINC000816638047 1136742995 /nfs/dbraw/zinc/74/29/95/1136742995.db2.gz YGVKWIVJXJUDQE-UHFFFAOYSA-N 0 3 339.794 3.534 20 10 EHCDHN CC[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])CCO1 ZINC000817414741 1136806727 /nfs/dbraw/zinc/80/67/27/1136806727.db2.gz JKWBBWOHHYUQHA-KGLIPLIRSA-N 0 3 328.250 3.510 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000818342450 1136873097 /nfs/dbraw/zinc/87/30/97/1136873097.db2.gz RAFPVACVCXQFAJ-HNAYVOBHSA-N 0 3 338.451 3.504 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000858547352 1136977893 /nfs/dbraw/zinc/97/78/93/1136977893.db2.gz KJCUWEOPTACMSX-ZBINZKHDSA-N 0 3 340.261 3.681 20 10 EHCDHN C[C@@H](NCc1cc2cccnc2o1)c1ccc(N2CCOCC2)cc1 ZINC000823729627 1137112249 /nfs/dbraw/zinc/11/22/49/1137112249.db2.gz HOFBUEBMDVKIRC-OAHLLOKOSA-N 0 3 337.423 3.515 20 10 EHCDHN CCc1nc(CNCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n[nH]1 ZINC000824446197 1137138050 /nfs/dbraw/zinc/13/80/50/1137138050.db2.gz SCHOHNMBYVIVQX-UHFFFAOYSA-N 0 3 344.503 3.958 20 10 EHCDHN CCCOc1c(OC)cc(CC[NH2+]Cc2ccccc2[O-])cc1OC ZINC000824790656 1137154215 /nfs/dbraw/zinc/15/42/15/1137154215.db2.gz ZRDUAFCSSAUEHT-UHFFFAOYSA-N 0 3 345.439 3.531 20 10 EHCDHN C[C@H](NCc1cc2cnccc2o1)c1ccc(N2CCOCC2)cc1 ZINC000845927820 1137321014 /nfs/dbraw/zinc/32/10/14/1137321014.db2.gz HNMPYGZTRGAPET-HNNXBMFYSA-N 0 3 337.423 3.515 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c([O-])c1 ZINC000866421612 1137353195 /nfs/dbraw/zinc/35/31/95/1137353195.db2.gz AHLAWFRUSGCEMQ-HNNXBMFYSA-N 0 3 327.424 3.771 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccnc(F)c2)c1[O-] ZINC000866473134 1137357395 /nfs/dbraw/zinc/35/73/95/1137357395.db2.gz KWXVNSFIAWSRGF-JTQLQIEISA-N 0 3 339.208 3.848 20 10 EHCDHN O=C(c1cccc(CN2CCCCC2)c1)N1Cc2cccc(O)c2C1 ZINC000871206097 1137526886 /nfs/dbraw/zinc/52/68/86/1137526886.db2.gz RFDFMUKDYVTFQI-UHFFFAOYSA-N 0 3 336.435 3.534 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)c2c1c(F)ccc2[O-] ZINC000872123771 1137572897 /nfs/dbraw/zinc/57/28/97/1137572897.db2.gz VFNFZUOPYBQAAS-ZANVPECISA-N 0 3 328.343 3.716 20 10 EHCDHN COc1ccc(C2(C[NH2+]Cc3ccc(C)cc3[O-])CCOCC2)cc1 ZINC000876968320 1137666517 /nfs/dbraw/zinc/66/65/17/1137666517.db2.gz OSOPWFGDFSMPAU-UHFFFAOYSA-N 0 3 341.451 3.547 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000876988717 1137666980 /nfs/dbraw/zinc/66/69/80/1137666980.db2.gz JZULZYQDWKNWAU-AWEZNQCLSA-N 0 3 332.394 3.595 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000877025709 1137668053 /nfs/dbraw/zinc/66/80/53/1137668053.db2.gz SQJWEHLRTQFGSO-INIZCTEOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000877054378 1137668922 /nfs/dbraw/zinc/66/89/22/1137668922.db2.gz HMZYCDQOXCSCOC-KXBFYZLASA-N 0 3 330.497 3.935 20 10 EHCDHN CCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)c1cccnc1 ZINC000877529971 1137680004 /nfs/dbraw/zinc/68/00/04/1137680004.db2.gz ARRGWOOCDAAVQA-QGZVFWFLSA-N 0 3 339.483 3.626 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c([O-])c1 ZINC000877583669 1137682045 /nfs/dbraw/zinc/68/20/45/1137682045.db2.gz LFAVMLJNHBYADT-INIZCTEOSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c([O-])c1 ZINC000877583669 1137682046 /nfs/dbraw/zinc/68/20/46/1137682046.db2.gz LFAVMLJNHBYADT-INIZCTEOSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1ccc(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c([O-])c1 ZINC000877584053 1137682124 /nfs/dbraw/zinc/68/21/24/1137682124.db2.gz OFODPJZLNLEADW-HXUWFJFHSA-N 0 3 347.405 3.924 20 10 EHCDHN COCCc1ccc(OC[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877758333 1137688523 /nfs/dbraw/zinc/68/85/23/1137688523.db2.gz TUYCUVAJRUCEQH-HOTGVXAUSA-N 0 3 329.440 3.699 20 10 EHCDHN CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651780 1137753916 /nfs/dbraw/zinc/75/39/16/1137753916.db2.gz KMLNLKZILKPDOC-STQMWFEESA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879651897 1137753947 /nfs/dbraw/zinc/75/39/47/1137753947.db2.gz OKHRDZXKAJRRIG-IHRRRGAJSA-N 0 3 346.858 3.962 20 10 EHCDHN CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879652363 1137754019 /nfs/dbraw/zinc/75/40/19/1137754019.db2.gz ZFXKTSCVDXZMDB-STQMWFEESA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1c(F)cccc1F ZINC000883288799 1137852827 /nfs/dbraw/zinc/85/28/27/1137852827.db2.gz RSUVVGMKJAQUFO-HNNXBMFYSA-N 0 3 345.437 3.567 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1[O-] ZINC000886766888 1138136068 /nfs/dbraw/zinc/13/60/68/1138136068.db2.gz UEERWTVTDIMWEM-VAGZCVSGSA-N 0 3 339.863 3.731 20 10 EHCDHN COc1cc(Br)cc(CN2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826538546 1138229480 /nfs/dbraw/zinc/22/94/80/1138229480.db2.gz FQDCJCDDCOBRLW-GWCFXTLKSA-N 0 3 326.234 3.538 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122766022 1138261759 /nfs/dbraw/zinc/26/17/59/1138261759.db2.gz GAJFMBAUWSYFQZ-IIBYNOLFSA-N 0 3 341.451 3.807 20 10 EHCDHN COc1ccc(O)c(CNC2(c3cccc(Br)c3)CC2)c1 ZINC000182455352 1139973416 /nfs/dbraw/zinc/97/34/16/1139973416.db2.gz CZYZJLNKYJANMT-UHFFFAOYSA-N 0 3 348.240 3.942 20 10 EHCDHN COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183551130 1140045077 /nfs/dbraw/zinc/04/50/77/1140045077.db2.gz KYLHKEVYAUUGMZ-INIZCTEOSA-N 0 3 329.440 3.967 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1[O-] ZINC000183592450 1140048315 /nfs/dbraw/zinc/04/83/15/1140048315.db2.gz UEKHMRYMFPDOHP-INIZCTEOSA-N 0 3 338.451 3.869 20 10 EHCDHN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1[O-] ZINC000183625712 1140050579 /nfs/dbraw/zinc/05/05/79/1140050579.db2.gz WWRNQMIVTMBCSC-HOTGVXAUSA-N 0 3 325.456 3.663 20 10 EHCDHN C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000183619711 1140050815 /nfs/dbraw/zinc/05/08/15/1140050815.db2.gz FESQYJLMXBKRRU-XHDPSFHLSA-N 0 3 336.229 3.539 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc3c(cc2OC)C[C@H](C)O3)c1 ZINC000184975233 1140129069 /nfs/dbraw/zinc/12/90/69/1140129069.db2.gz LKSGRMNQEIMYOS-QWHCGFSZSA-N 0 3 343.423 3.584 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000186526352 1140208528 /nfs/dbraw/zinc/20/85/28/1140208528.db2.gz RVZNCSXPQNXIEC-AWEZNQCLSA-N 0 3 326.396 3.508 20 10 EHCDHN CCCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c([O-])c1 ZINC000187506738 1140258479 /nfs/dbraw/zinc/25/84/79/1140258479.db2.gz CKDAFGRZYUAROJ-UHFFFAOYSA-N 0 3 329.440 3.698 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000271165802 1141317277 /nfs/dbraw/zinc/31/72/77/1141317277.db2.gz RULWSGNCBDHFNP-GOSISDBHSA-N 0 3 339.435 3.644 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000271165802 1141317281 /nfs/dbraw/zinc/31/72/81/1141317281.db2.gz RULWSGNCBDHFNP-GOSISDBHSA-N 0 3 339.435 3.644 20 10 EHCDHN CCc1cccc2c1OCC[C@@H]2NCc1ccc(OC)c(OC)c1O ZINC000892944855 1017845619 /nfs/dbraw/zinc/84/56/19/1017845619.db2.gz PEHSBQGRBVRSEW-INIZCTEOSA-N 0 3 343.423 3.585 20 10 EHCDHN COc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)c(O)c1OC ZINC000891618999 1022115200 /nfs/dbraw/zinc/11/52/00/1022115200.db2.gz YHONDZFCBRBNOJ-MRXNPFEDSA-N 0 3 331.387 3.886 20 10 EHCDHN COc1cc(C)cc(CN[C@@H]2CCCOc3c(F)cccc32)c1O ZINC000894420646 1022263673 /nfs/dbraw/zinc/26/36/73/1022263673.db2.gz ORNKXXHDLWCOAZ-MRXNPFEDSA-N 0 3 331.387 3.852 20 10 EHCDHN COCc1ccc([C@@H]2CCCN2Cc2cc(C)cc(OC)c2O)o1 ZINC000894475222 1022364195 /nfs/dbraw/zinc/36/41/95/1022364195.db2.gz MFDXYBVYNPMZEE-INIZCTEOSA-N 0 3 331.412 3.786 20 10 EHCDHN COc1ccc(CNCc2ccc(C3CC3)cc2F)c(O)c1OC ZINC000894580461 1022584634 /nfs/dbraw/zinc/58/46/34/1022584634.db2.gz CIAJYLIKBWHLGC-UHFFFAOYSA-N 0 3 331.387 3.716 20 10 EHCDHN CC1(C)CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)OC1 ZINC001167982359 1022824606 /nfs/dbraw/zinc/82/46/06/1022824606.db2.gz CNRATZYFNRMEFH-ZWKOTPCHSA-N 0 3 333.472 3.578 20 10 EHCDHN CC1(C)CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)OC1 ZINC001167982359 1022824620 /nfs/dbraw/zinc/82/46/20/1022824620.db2.gz CNRATZYFNRMEFH-ZWKOTPCHSA-N 0 3 333.472 3.578 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000760038494 1023983891 /nfs/dbraw/zinc/98/38/91/1023983891.db2.gz BLASJKPGYKNQLT-QMIHWGKISA-N 0 3 329.415 3.657 20 10 EHCDHN C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccccc1[O-] ZINC000760041127 1024222990 /nfs/dbraw/zinc/22/29/90/1024222990.db2.gz WHYIXYHWEOYYPL-ONGXBYRLSA-N 0 3 343.442 3.956 20 10 EHCDHN COCCOc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000892012737 1024331854 /nfs/dbraw/zinc/33/18/54/1024331854.db2.gz PDFDVSUWRDAWOX-UHFFFAOYSA-N 0 3 345.439 3.955 20 10 EHCDHN COCCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000892012737 1024331871 /nfs/dbraw/zinc/33/18/71/1024331871.db2.gz PDFDVSUWRDAWOX-UHFFFAOYSA-N 0 3 345.439 3.955 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCc2cccc3oc(C)nc32)c1[O-] ZINC000896887237 1024347607 /nfs/dbraw/zinc/34/76/07/1024347607.db2.gz JOMSGHWDZFNQKR-UHFFFAOYSA-N 0 3 346.814 3.836 20 10 EHCDHN COc1cc(C)cc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000895476292 1024549037 /nfs/dbraw/zinc/54/90/37/1024549037.db2.gz HNZWDJWCIVJEHS-LLVKDONJSA-N 0 3 340.345 3.974 20 10 EHCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156881071 1024633609 /nfs/dbraw/zinc/63/36/09/1024633609.db2.gz DMKRALZQCVTZNA-YJBOKZPZSA-N 0 3 347.480 3.685 20 10 EHCDHN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001279141995 1025098400 /nfs/dbraw/zinc/09/84/00/1025098400.db2.gz LTMDIPFZCTYGJM-NXHRZFHOSA-N 0 3 332.488 3.573 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000226864667 1033515600 /nfs/dbraw/zinc/51/56/00/1033515600.db2.gz UJRDYRXUEYQUHQ-LNSITVRQSA-N 0 3 341.293 3.678 20 10 EHCDHN COc1ccc(O)c(CNCc2sccc2Br)c1 ZINC000148027689 1025938205 /nfs/dbraw/zinc/93/82/05/1025938205.db2.gz VQTQDMXWKGKSQU-UHFFFAOYSA-N 0 3 328.231 3.515 20 10 EHCDHN C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273124692 1027279332 /nfs/dbraw/zinc/27/93/32/1027279332.db2.gz AIMLESYFNDUOBT-AEFFLSMTSA-N 0 3 341.451 3.876 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cc(F)ccc1[O-] ZINC000273521658 1027472388 /nfs/dbraw/zinc/47/23/88/1027472388.db2.gz UONSQAWZJAIFFN-OCCSQVGLSA-N 0 3 325.449 3.627 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1[O-] ZINC000273777563 1027616679 /nfs/dbraw/zinc/61/66/79/1027616679.db2.gz SAQHIRLBUWXKML-LSDHHAIUSA-N 0 3 327.852 3.738 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c1[O-] ZINC000273777551 1027617427 /nfs/dbraw/zinc/61/74/27/1027617427.db2.gz SAQHIRLBUWXKML-CABCVRRESA-N 0 3 327.852 3.738 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccccc1[O-] ZINC000278528831 1029083387 /nfs/dbraw/zinc/08/33/87/1029083387.db2.gz TYCAARYPMRTSSU-ILXRZTDVSA-N 0 3 334.460 3.831 20 10 EHCDHN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(N(C)C)cc3)cn2)n1 ZINC000162781231 1029452331 /nfs/dbraw/zinc/45/23/31/1029452331.db2.gz UFNOAUFGLOFWOC-QGZVFWFLSA-N 0 3 349.482 3.801 20 10 EHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)cc1)CCCO2 ZINC000160530174 1030826658 /nfs/dbraw/zinc/82/66/58/1030826658.db2.gz ZEFZJDFHIKEQMO-LJQANCHMSA-N 0 3 326.440 3.765 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1[O-] ZINC000926929148 1031498495 /nfs/dbraw/zinc/49/84/95/1031498495.db2.gz RZWPDDSBMHFKJC-VIFPVBQESA-N 0 3 347.768 3.957 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)NCc2cc(C(F)(F)F)nn2C)c1O ZINC000926929148 1031498507 /nfs/dbraw/zinc/49/85/07/1031498507.db2.gz RZWPDDSBMHFKJC-VIFPVBQESA-N 0 3 347.768 3.957 20 10 EHCDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000892461566 1034405300 /nfs/dbraw/zinc/40/53/00/1034405300.db2.gz HUCCAWJGMXNZQK-CYBMUJFWSA-N 0 3 331.412 3.577 20 10 EHCDHN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000761203706 1034414519 /nfs/dbraw/zinc/41/45/19/1034414519.db2.gz XUOLJCCXNJATSU-KRWDZBQOSA-N 0 3 349.858 3.918 20 10 EHCDHN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000761203706 1034414531 /nfs/dbraw/zinc/41/45/31/1034414531.db2.gz XUOLJCCXNJATSU-KRWDZBQOSA-N 0 3 349.858 3.918 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000179875359 1037954995 /nfs/dbraw/zinc/95/49/95/1037954995.db2.gz LOWRZDZWIXRQFG-HUUCEWRRSA-N 0 3 334.460 3.690 20 10 EHCDHN Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180499730 1038192185 /nfs/dbraw/zinc/19/21/85/1038192185.db2.gz WFQHALVSOSJEDX-UHFFFAOYSA-N 0 3 339.414 3.748 20 10 EHCDHN COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000378397549 1038581151 /nfs/dbraw/zinc/58/11/51/1038581151.db2.gz BHYRWGVJSUVTAM-KSSFIOAISA-N 0 3 326.440 3.936 20 10 EHCDHN COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185391119 1039093398 /nfs/dbraw/zinc/09/33/98/1039093398.db2.gz HPSSGFHORYARAM-OLZOCXBDSA-N 0 3 333.403 3.830 20 10 EHCDHN CC(C)N1CCN(CCCSc2ncc(C(C)(C)C)s2)CC1 ZINC000188325189 1039920134 /nfs/dbraw/zinc/92/01/34/1039920134.db2.gz YNZAPRQRBREUKN-UHFFFAOYSA-N 0 3 341.590 3.949 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000185292091 1126859227 /nfs/dbraw/zinc/85/92/27/1126859227.db2.gz PCFZCZBRLYIEAC-HNNXBMFYSA-N 0 3 348.487 3.998 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185455866 1126903552 /nfs/dbraw/zinc/90/35/52/1126903552.db2.gz LYCSHZDMTIXSCQ-HUUCEWRRSA-N 0 3 334.460 3.751 20 10 EHCDHN COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000185481240 1126906287 /nfs/dbraw/zinc/90/62/87/1126906287.db2.gz ULQIZQZIODDFJZ-HOCLYGCPSA-N 0 3 344.430 3.860 20 10 EHCDHN C[C@@H](c1ccsc1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000764956465 1127556925 /nfs/dbraw/zinc/55/69/25/1127556925.db2.gz UTKRLIQTQLDVAV-HNNXBMFYSA-N 0 3 342.508 3.821 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CCC(=O)N2 ZINC000921545881 1127695020 /nfs/dbraw/zinc/69/50/20/1127695020.db2.gz LJELUUDSNHIYLW-CQSZACIVSA-N 0 3 336.435 3.747 20 10 EHCDHN CCN1CCC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000918709593 1122899514 /nfs/dbraw/zinc/89/95/14/1122899514.db2.gz AZTPKRIVSUSTJZ-GOSISDBHSA-N 0 3 339.483 3.617 20 10 EHCDHN CC(C)NC(=O)CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179522377 1123787084 /nfs/dbraw/zinc/78/70/84/1123787084.db2.gz IYXRVPXCORBJDB-QGZVFWFLSA-N 0 3 340.467 3.870 20 10 EHCDHN CC(C)NC(=O)CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179522377 1123787088 /nfs/dbraw/zinc/78/70/88/1123787088.db2.gz IYXRVPXCORBJDB-QGZVFWFLSA-N 0 3 340.467 3.870 20 10 EHCDHN COc1ccc(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1OC(F)F ZINC000179927423 1123903658 /nfs/dbraw/zinc/90/36/58/1123903658.db2.gz OCMDTPKGVOXWBC-UHFFFAOYSA-N 0 3 341.329 3.773 20 10 EHCDHN COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1OC(F)F ZINC000179927423 1123903660 /nfs/dbraw/zinc/90/36/60/1123903660.db2.gz OCMDTPKGVOXWBC-UHFFFAOYSA-N 0 3 341.329 3.773 20 10 EHCDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000068706699 1124003760 /nfs/dbraw/zinc/00/37/60/1124003760.db2.gz UUWYBUBXODESTN-MRXNPFEDSA-N 0 3 338.451 3.981 20 10 EHCDHN COc1ccc(N2CC[C@H](CNCc3cc(C)cnc3Cl)C2)cc1 ZINC000922197485 1129331725 /nfs/dbraw/zinc/33/17/25/1129331725.db2.gz VEMUSQOEHXKQQT-OAHLLOKOSA-N 0 3 345.874 3.668 20 10 EHCDHN CO[C@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1[O-])COCc1ccccc1 ZINC000702789122 1130245551 /nfs/dbraw/zinc/24/55/51/1130245551.db2.gz CKNDVPGPNXXJLB-LAUBAEHRSA-N 0 3 343.467 3.973 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3[nH]cnc3c2)cc1F ZINC000731361199 1130791747 /nfs/dbraw/zinc/79/17/47/1130791747.db2.gz ZINJAOZIHLQKCR-UHFFFAOYSA-N 0 3 326.419 3.838 20 10 EHCDHN C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847742 1130850272 /nfs/dbraw/zinc/85/02/72/1130850272.db2.gz NIFPTBNSOIMZJY-LPHOPBHVSA-N 0 3 344.499 3.832 20 10 EHCDHN C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847742 1130850279 /nfs/dbraw/zinc/85/02/79/1130850279.db2.gz NIFPTBNSOIMZJY-LPHOPBHVSA-N 0 3 344.499 3.832 20 10 EHCDHN COc1ccc(CNCc2ccc(Br)cc2F)c(O)c1 ZINC000732231473 1130903126 /nfs/dbraw/zinc/90/31/26/1130903126.db2.gz ZGEZHVMSWXFLCK-UHFFFAOYSA-N 0 3 340.192 3.592 20 10 EHCDHN COc1ccc(Br)c(CNCc2cc(C)ccc2O)c1 ZINC000733326063 1131026377 /nfs/dbraw/zinc/02/63/77/1131026377.db2.gz GXOSIIZBAYZQOO-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1OC ZINC000378881660 1131166949 /nfs/dbraw/zinc/16/69/49/1131166949.db2.gz HIECYKIKKIHVSK-FQEVSTJZSA-N 0 3 340.467 3.773 20 10 EHCDHN Cc1ccoc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000742371374 1131716854 /nfs/dbraw/zinc/71/68/54/1131716854.db2.gz SYMMUBOHKHTHIB-MRXNPFEDSA-N 0 3 334.847 3.701 20 10 EHCDHN COc1ccc(N2CCN([C@@H](C)CCOCC(C)C)CC2)c(C)c1 ZINC001172478068 1131737264 /nfs/dbraw/zinc/73/72/64/1131737264.db2.gz GFRLSDFEQLFWCW-SFHVURJKSA-N 0 3 334.504 3.577 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000743870229 1131995598 /nfs/dbraw/zinc/99/55/98/1131995598.db2.gz MCXIJPUODYGODC-NUJGCVRESA-N 0 3 332.488 3.688 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000743870229 1131995608 /nfs/dbraw/zinc/99/56/08/1131995608.db2.gz MCXIJPUODYGODC-NUJGCVRESA-N 0 3 332.488 3.688 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000743870273 1131996126 /nfs/dbraw/zinc/99/61/26/1131996126.db2.gz OFVMMOHTYYEHCY-IBGZPJMESA-N 0 3 338.451 3.718 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000743870273 1131996133 /nfs/dbraw/zinc/99/61/33/1131996133.db2.gz OFVMMOHTYYEHCY-IBGZPJMESA-N 0 3 338.451 3.718 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000743870273 1131996139 /nfs/dbraw/zinc/99/61/39/1131996139.db2.gz OFVMMOHTYYEHCY-IBGZPJMESA-N 0 3 338.451 3.718 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000743870683 1131996730 /nfs/dbraw/zinc/99/67/30/1131996730.db2.gz ZSSJPMZVESRBHM-INIZCTEOSA-N 0 3 338.451 3.582 20 10 EHCDHN CCSC[C@@H](C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001173310593 1132038194 /nfs/dbraw/zinc/03/81/94/1132038194.db2.gz ZSDODPFJNSSVIL-CYBMUJFWSA-N 0 3 348.434 3.849 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872187 1132592973 /nfs/dbraw/zinc/59/29/73/1132592973.db2.gz LJNSFYSMQSQRED-GDBMZVCRSA-N 0 3 334.460 3.612 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872187 1132592977 /nfs/dbraw/zinc/59/29/77/1132592977.db2.gz LJNSFYSMQSQRED-GDBMZVCRSA-N 0 3 334.460 3.612 20 10 EHCDHN CCCn1cncc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC001177733878 1133097053 /nfs/dbraw/zinc/09/70/53/1133097053.db2.gz VXQUHPKXOJMIQW-UHFFFAOYSA-N 0 3 326.488 3.819 20 10 EHCDHN COc1cc(Br)cc(CN(C)Cc2cccs2)c1O ZINC000768160750 1133102656 /nfs/dbraw/zinc/10/26/56/1133102656.db2.gz OERWZCNZNCTJEB-UHFFFAOYSA-N 0 3 342.258 3.857 20 10 EHCDHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000768271767 1133119541 /nfs/dbraw/zinc/11/95/41/1133119541.db2.gz ODZUBYBUPNWFNJ-VXGBXAGGSA-N 0 3 334.357 3.654 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000768244269 1133120248 /nfs/dbraw/zinc/12/02/48/1133120248.db2.gz HUGPNINEQSLSOA-CQSZACIVSA-N 0 3 338.407 3.922 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000768244269 1133120252 /nfs/dbraw/zinc/12/02/52/1133120252.db2.gz HUGPNINEQSLSOA-CQSZACIVSA-N 0 3 338.407 3.922 20 10 EHCDHN CC(C)(C)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768440238 1133138788 /nfs/dbraw/zinc/13/87/88/1133138788.db2.gz UQAKUMTZGZVNBT-MJGOQNOKSA-N 0 3 327.424 3.695 20 10 EHCDHN CN(C)c1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1F ZINC000769314053 1133259676 /nfs/dbraw/zinc/25/96/76/1133259676.db2.gz CGDDDUNKERKRIP-FQEVSTJZSA-N 0 3 328.431 3.855 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([O-])c1 ZINC000769318012 1133260699 /nfs/dbraw/zinc/26/06/99/1133260699.db2.gz YKQMARDRGFXTAO-KRWDZBQOSA-N 0 3 341.407 3.857 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c([O-])c1 ZINC000769318012 1133260706 /nfs/dbraw/zinc/26/07/06/1133260706.db2.gz YKQMARDRGFXTAO-KRWDZBQOSA-N 0 3 341.407 3.857 20 10 EHCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769484180 1133288626 /nfs/dbraw/zinc/28/86/26/1133288626.db2.gz SUUONPLPCSHUGP-GOSISDBHSA-N 0 3 325.408 3.587 20 10 EHCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769484180 1133288630 /nfs/dbraw/zinc/28/86/30/1133288630.db2.gz SUUONPLPCSHUGP-GOSISDBHSA-N 0 3 325.408 3.587 20 10 EHCDHN COc1cccc(O)c1CN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000769446371 1133292407 /nfs/dbraw/zinc/29/24/07/1133292407.db2.gz MKYDNKUYNHVJQS-QGZVFWFLSA-N 0 3 329.465 3.999 20 10 EHCDHN CC1(C)OCc2cc(CNCc3ccc4c(c3)CCO4)ccc2O1 ZINC000769503004 1133303382 /nfs/dbraw/zinc/30/33/82/1133303382.db2.gz LRGYYXOETWZNIJ-UHFFFAOYSA-N 0 3 325.408 3.556 20 10 EHCDHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCCCN1C ZINC001179965654 1133314815 /nfs/dbraw/zinc/31/48/15/1133314815.db2.gz YEJMTZGQCZZDEY-SFHVURJKSA-N 0 3 339.483 3.617 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)cc(F)c3)c2)CC1 ZINC000770145996 1133393615 /nfs/dbraw/zinc/39/36/15/1133393615.db2.gz DNOWIMUZECNRJC-UHFFFAOYSA-N 0 3 341.430 3.528 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000770291780 1133407555 /nfs/dbraw/zinc/40/75/55/1133407555.db2.gz MFFCSADASNZPTC-QAPCUYQASA-N 0 3 347.480 3.941 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c([O-])c1 ZINC000770291780 1133407556 /nfs/dbraw/zinc/40/75/56/1133407556.db2.gz MFFCSADASNZPTC-QAPCUYQASA-N 0 3 347.480 3.941 20 10 EHCDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000771376309 1133546989 /nfs/dbraw/zinc/54/69/89/1133546989.db2.gz WMBZTDQKZIGZCF-AEFFLSMTSA-N 0 3 339.483 3.947 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(OC)cc2)c([O-])c1 ZINC000771875900 1133605251 /nfs/dbraw/zinc/60/52/51/1133605251.db2.gz IWYIKPCZDOXSEM-VLIAUNLRSA-N 0 3 345.439 3.665 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCC1=CCCCC1 ZINC000774487266 1133689088 /nfs/dbraw/zinc/68/90/88/1133689088.db2.gz YFSMMGALEKKZLY-IRXDYDNUSA-N 0 3 343.515 3.798 20 10 EHCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000786583285 1133870294 /nfs/dbraw/zinc/87/02/94/1133870294.db2.gz QLLUQMBRTHSSKA-LXZKKBNFSA-N 0 3 329.415 3.581 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1cc(F)ccc1[O-] ZINC000787029398 1133940266 /nfs/dbraw/zinc/94/02/66/1133940266.db2.gz XNIXMAWDOOFIJO-FVMDXXJSSA-N 0 3 327.758 3.708 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429319 1133940773 /nfs/dbraw/zinc/94/07/73/1133940773.db2.gz WCZCGRVEHTYCIE-UZLBHIALSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429319 1133940777 /nfs/dbraw/zinc/94/07/77/1133940777.db2.gz WCZCGRVEHTYCIE-UZLBHIALSA-N 0 3 346.471 3.580 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775131168 1134361732 /nfs/dbraw/zinc/36/17/32/1134361732.db2.gz SSBGIHZWYQDHJC-BZNIZROVSA-N 0 3 325.330 3.795 20 10 EHCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000793207644 1134883714 /nfs/dbraw/zinc/88/37/14/1134883714.db2.gz QDPSDKKPIYOBEO-HNNXBMFYSA-N 0 3 348.849 3.796 20 10 EHCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)c([O-])c1 ZINC000793387537 1134920710 /nfs/dbraw/zinc/92/07/10/1134920710.db2.gz GBKGCXSBSMNYQU-OAHLLOKOSA-N 0 3 342.439 3.525 20 10 EHCDHN COc1ccc(C[NH2+]Cc2c(Cl)ccc3cccnc32)c([O-])c1 ZINC000793388639 1134921686 /nfs/dbraw/zinc/92/16/86/1134921686.db2.gz QMZPYBZTESKCBK-UHFFFAOYSA-N 0 3 328.799 3.892 20 10 EHCDHN COc1ccc(CNCc2c(Cl)ccc3cccnc32)c(O)c1 ZINC000793388639 1134921692 /nfs/dbraw/zinc/92/16/92/1134921692.db2.gz QMZPYBZTESKCBK-UHFFFAOYSA-N 0 3 328.799 3.892 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1[O-] ZINC000793609586 1134972123 /nfs/dbraw/zinc/97/21/23/1134972123.db2.gz PTQWLYXUSPQHAY-HNNXBMFYSA-N 0 3 342.277 3.590 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCCCC[C@H]2CCO)c1[O-] ZINC000793609586 1134972128 /nfs/dbraw/zinc/97/21/28/1134972128.db2.gz PTQWLYXUSPQHAY-HNNXBMFYSA-N 0 3 342.277 3.590 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1[O-] ZINC000775503703 1134973473 /nfs/dbraw/zinc/97/34/73/1134973473.db2.gz MWTPWSAIEXFJNW-SFHVURJKSA-N 0 3 342.439 3.586 20 10 EHCDHN Cc1cc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)ccc1N(C)C ZINC001170508291 1135446210 /nfs/dbraw/zinc/44/62/10/1135446210.db2.gz SWTFBIHQHXYCEC-IBGZPJMESA-N 0 3 332.875 3.880 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1[O-] ZINC000808683834 1135710579 /nfs/dbraw/zinc/71/05/79/1135710579.db2.gz KDNRDDGSBHEEEP-VHSXEESVSA-N 0 3 325.758 3.972 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000808703370 1135715740 /nfs/dbraw/zinc/71/57/40/1135715740.db2.gz XGFUUWFXSULYEO-GUYCJALGSA-N 0 3 344.842 3.810 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC2CCOCC2)c1[O-] ZINC000808707622 1135716758 /nfs/dbraw/zinc/71/67/58/1135716758.db2.gz UBMSTVQYXWGHLX-CYBMUJFWSA-N 0 3 327.852 3.590 20 10 EHCDHN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000808717957 1135720888 /nfs/dbraw/zinc/72/08/88/1135720888.db2.gz IWRXUDOGUZCKFI-SUMWQHHRSA-N 0 3 346.858 3.882 20 10 EHCDHN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775833559 1135789832 /nfs/dbraw/zinc/78/98/32/1135789832.db2.gz DQGKGQWISQLVOM-SJORKVTESA-N 0 3 339.483 3.623 20 10 EHCDHN C[C@@H](NCC(=O)NC1CCCCCCC1)c1ccc(N(C)C)cc1 ZINC000775832967 1135791777 /nfs/dbraw/zinc/79/17/77/1135791777.db2.gz DFTNSJSCMOXEQU-MRXNPFEDSA-N 0 3 331.504 3.632 20 10 EHCDHN CCc1cc(CCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)on1 ZINC000809575943 1135853008 /nfs/dbraw/zinc/85/30/08/1135853008.db2.gz NJKYVODXKPGYKF-IBGZPJMESA-N 0 3 344.455 3.556 20 10 EHCDHN CCc1cc(CCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)on1 ZINC000809575943 1135853012 /nfs/dbraw/zinc/85/30/12/1135853012.db2.gz NJKYVODXKPGYKF-IBGZPJMESA-N 0 3 344.455 3.556 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1[O-] ZINC000809702598 1135869604 /nfs/dbraw/zinc/86/96/04/1135869604.db2.gz WLSJXRSHYSQQDR-PXAZEXFGSA-N 0 3 335.831 3.574 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1[O-] ZINC000809769587 1135880258 /nfs/dbraw/zinc/88/02/58/1135880258.db2.gz HUWCOMSYVQVBKI-QGZVFWFLSA-N 0 3 336.838 3.886 20 10 EHCDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(C)cc1[O-] ZINC000810248115 1135947957 /nfs/dbraw/zinc/94/79/57/1135947957.db2.gz OXNKXRPNJYZDKQ-ZJOUEHCJSA-N 0 3 325.452 3.908 20 10 EHCDHN COC(=O)N1CC(NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC001202075031 1136095116 /nfs/dbraw/zinc/09/51/16/1136095116.db2.gz XQZCUABLBKXSEV-UHFFFAOYSA-N 0 3 348.487 3.527 20 10 EHCDHN CCOc1ccc(C[NH2+]C2(c3cccc(OC)c3)CCC2)c([O-])c1 ZINC000850405577 1136251233 /nfs/dbraw/zinc/25/12/33/1136251233.db2.gz VOOORGREPGHFFP-UHFFFAOYSA-N 0 3 327.424 3.969 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cncc(C(F)(F)F)c2)c1 ZINC000812831281 1136256562 /nfs/dbraw/zinc/25/65/62/1136256562.db2.gz JQKHNHRJPIDDMH-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850487540 1136269203 /nfs/dbraw/zinc/26/92/03/1136269203.db2.gz HZFDJOIEISBMPP-BEFAXECRSA-N 0 3 326.440 3.720 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2c(C3CCC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850552726 1136283672 /nfs/dbraw/zinc/28/36/72/1136283672.db2.gz XTABWIRKOQJMJN-XHDPSFHLSA-N 0 3 329.419 3.870 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000814178783 1136411832 /nfs/dbraw/zinc/41/18/32/1136411832.db2.gz CWRKZNXCKCTFHR-OAHLLOKOSA-N 0 3 326.223 3.831 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000814303060 1136438509 /nfs/dbraw/zinc/43/85/09/1136438509.db2.gz PLESNUHHDMOAQV-CQSZACIVSA-N 0 3 326.396 3.590 20 10 EHCDHN O=C(Nc1cccc(N2CCCCC2)c1)c1cccc2c1CCNC2 ZINC000852861906 1136490566 /nfs/dbraw/zinc/49/05/66/1136490566.db2.gz MMOLCOPIUNQHPS-UHFFFAOYSA-N 0 3 335.451 3.575 20 10 EHCDHN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853094006 1136508413 /nfs/dbraw/zinc/50/84/13/1136508413.db2.gz WDYPPXNLWOJXLL-CYBMUJFWSA-N 0 3 343.298 3.911 20 10 EHCDHN Cn1ccc(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000815616838 1136619318 /nfs/dbraw/zinc/61/93/18/1136619318.db2.gz ZGXATMNIOSFFAR-FQEVSTJZSA-N 0 3 335.451 3.632 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCC1CC(O)C1 ZINC000815621162 1136620514 /nfs/dbraw/zinc/62/05/14/1136620514.db2.gz NKBXUCLDCLZBPT-QLOJAFMTSA-N 0 3 325.452 3.817 20 10 EHCDHN Cc1nccnc1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815650997 1136626035 /nfs/dbraw/zinc/62/60/35/1136626035.db2.gz HDUXRCNCGBWNPM-NRFANRHFSA-N 0 3 347.462 3.997 20 10 EHCDHN C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc2ccccc2c1[O-] ZINC000816516044 1136730096 /nfs/dbraw/zinc/73/00/96/1136730096.db2.gz TTWRNCXHBVXJOB-XMMPIXPASA-N 0 3 339.460 3.915 20 10 EHCDHN C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc2ccccc2c1[O-] ZINC000816516044 1136730099 /nfs/dbraw/zinc/73/00/99/1136730099.db2.gz TTWRNCXHBVXJOB-XMMPIXPASA-N 0 3 339.460 3.915 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000816645412 1136743805 /nfs/dbraw/zinc/74/38/05/1136743805.db2.gz VEHJUCNQZWHSIF-LBPRGKRZSA-N 0 3 329.350 3.707 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817986379 1136855312 /nfs/dbraw/zinc/85/53/12/1136855312.db2.gz PYWYBTREZPGXNR-VXGBXAGGSA-N 0 3 328.378 3.736 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3csc(C)n3)C2)cc1 ZINC000818342949 1136872490 /nfs/dbraw/zinc/87/24/90/1136872490.db2.gz WXQGXYVDTDLELK-ZFWWWQNUSA-N 0 3 331.485 3.637 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000818342448 1136873162 /nfs/dbraw/zinc/87/31/62/1136873162.db2.gz RAFPVACVCXQFAJ-DNVCBOLYSA-N 0 3 338.451 3.504 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)cc1[O-] ZINC000858490629 1136972820 /nfs/dbraw/zinc/97/28/20/1136972820.db2.gz KYTLAIRDMZHSPK-OLZOCXBDSA-N 0 3 341.293 3.537 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000858498686 1136974051 /nfs/dbraw/zinc/97/40/51/1136974051.db2.gz SCLCPVDJWUFNEO-IBGZPJMESA-N 0 3 326.440 3.924 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000858547351 1136977934 /nfs/dbraw/zinc/97/79/34/1136977934.db2.gz KJCUWEOPTACMSX-XEGUGMAKSA-N 0 3 340.261 3.681 20 10 EHCDHN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000825284661 1137171604 /nfs/dbraw/zinc/17/16/04/1137171604.db2.gz XCPPFTREECOXBP-ZIAGYGMSSA-N 0 3 328.250 3.510 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794800599 1137252182 /nfs/dbraw/zinc/25/21/82/1137252182.db2.gz DJQAZLGOSUFINS-MOPGFXCFSA-N 0 3 340.467 3.961 20 10 EHCDHN CC[C@@H]([NH2+][C@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000794815093 1137262858 /nfs/dbraw/zinc/26/28/58/1137262858.db2.gz NDTFBVJWQVTMHQ-RHSMWYFYSA-N 0 3 334.460 3.608 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1ccnn1C ZINC000865838386 1137315573 /nfs/dbraw/zinc/31/55/73/1137315573.db2.gz HYDYCMSYZDDFHW-QGZVFWFLSA-N 0 3 346.478 3.834 20 10 EHCDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000845970624 1137322416 /nfs/dbraw/zinc/32/24/16/1137322416.db2.gz ANTSDLQENYLKFR-JTQLQIEISA-N 0 3 337.803 3.619 20 10 EHCDHN FC1(F)[C@H]2CN(Cc3ccc4c(c3)CCN4Cc3ccccc3)C[C@H]21 ZINC000846113688 1137333464 /nfs/dbraw/zinc/33/34/64/1137333464.db2.gz NVDLIVKIXFVETC-KDURUIRLSA-N 0 3 340.417 3.946 20 10 EHCDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1cccc(OC)c1O ZINC000846148295 1137336024 /nfs/dbraw/zinc/33/60/24/1137336024.db2.gz PYVKCQYWTCIHPX-WBMJQRKESA-N 0 3 329.396 3.584 20 10 EHCDHN COc1cccc([C@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2F)c1O ZINC000846148448 1137336196 /nfs/dbraw/zinc/33/61/96/1137336196.db2.gz ZNSNFBSRJBYXFO-RYUDHWBXSA-N 0 3 349.402 3.969 20 10 EHCDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(OC)c1O)CCO2 ZINC000846164173 1137337466 /nfs/dbraw/zinc/33/74/66/1137337466.db2.gz MNMYBGRCYHQNDL-GUYCJALGSA-N 0 3 343.423 3.974 20 10 EHCDHN COc1cccc([C@H](C)N[C@@H](Cn2cccn2)c2ccccc2)c1O ZINC000846144397 1137339038 /nfs/dbraw/zinc/33/90/38/1137339038.db2.gz KQPAECMGKRELQP-YJBOKZPZSA-N 0 3 337.423 3.689 20 10 EHCDHN C[C@H](NCC(=O)NC1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000772982264 1137410399 /nfs/dbraw/zinc/41/03/99/1137410399.db2.gz UZWKLQAATSADRG-KRWDZBQOSA-N 0 3 343.515 3.776 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715092078 1137475483 /nfs/dbraw/zinc/47/54/83/1137475483.db2.gz CPIIXLRRJYBVLC-IIAWOOMASA-N 0 3 334.460 3.736 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3cccc([O-])c3F)C2)cc1 ZINC000872079628 1137570200 /nfs/dbraw/zinc/57/02/00/1137570200.db2.gz JTBWPNIOFYVDTO-CABCVRRESA-N 0 3 344.430 3.717 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872081088 1137570384 /nfs/dbraw/zinc/57/03/84/1137570384.db2.gz UZSWGTOIQGAUNK-HUUCEWRRSA-N 0 3 344.430 3.717 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)c2c1c(F)ccc2[O-] ZINC000872123769 1137572834 /nfs/dbraw/zinc/57/28/34/1137572834.db2.gz VFNFZUOPYBQAAS-RNCFNFMXSA-N 0 3 328.343 3.716 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4CSC[C@H]4C3)c2c1 ZINC000872721607 1137583147 /nfs/dbraw/zinc/58/31/47/1137583147.db2.gz ICHNTYVGHYBICH-HUUCEWRRSA-N 0 3 329.465 3.739 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4CSC[C@H]4C3)c2c1 ZINC000872721607 1137583148 /nfs/dbraw/zinc/58/31/48/1137583148.db2.gz ICHNTYVGHYBICH-HUUCEWRRSA-N 0 3 329.465 3.739 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)Nc1cccc(Cl)c1C ZINC000876994309 1137667329 /nfs/dbraw/zinc/66/73/29/1137667329.db2.gz DNNBPUWXEUJRGQ-UHFFFAOYSA-N 0 3 332.831 3.781 20 10 EHCDHN COc1ccc(Br)cc1CNCc1c(C)cccc1O ZINC000877022276 1137667871 /nfs/dbraw/zinc/66/78/71/1137667871.db2.gz SDISILOEISDFPK-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN COc1cccc([C@H](O)C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)c1 ZINC000877661346 1137684665 /nfs/dbraw/zinc/68/46/65/1137684665.db2.gz ZZGXXMTWSDHEGQ-OAQYLSRUSA-N 0 3 341.451 3.655 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCOCC2 ZINC000878565069 1137720500 /nfs/dbraw/zinc/72/05/00/1137720500.db2.gz HRDFSCUCIGPSLR-GOSISDBHSA-N 0 3 333.472 3.580 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCOCC2 ZINC000878565069 1137720501 /nfs/dbraw/zinc/72/05/01/1137720501.db2.gz HRDFSCUCIGPSLR-GOSISDBHSA-N 0 3 333.472 3.580 20 10 EHCDHN CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649053 1137753721 /nfs/dbraw/zinc/75/37/21/1137753721.db2.gz KMLNLKZILKPDOC-OLZOCXBDSA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000879650165 1137753848 /nfs/dbraw/zinc/75/38/48/1137753848.db2.gz MPFHRXHYSGNONO-ZBEGNZNMSA-N 0 3 336.229 3.539 20 10 EHCDHN CC[N@H+](Cc1cccc(OC)c1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000128416380 1137778532 /nfs/dbraw/zinc/77/85/32/1137778532.db2.gz MCNWLLBHBYYDBF-OAHLLOKOSA-N 0 3 329.440 3.863 20 10 EHCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000128416380 1137778533 /nfs/dbraw/zinc/77/85/33/1137778533.db2.gz MCNWLLBHBYYDBF-OAHLLOKOSA-N 0 3 329.440 3.863 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(C)cc1[O-] ZINC000883263055 1137851301 /nfs/dbraw/zinc/85/13/01/1137851301.db2.gz FUXBEHLWGFOGOU-AEFFLSMTSA-N 0 3 333.472 3.717 20 10 EHCDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000886070332 1138037831 /nfs/dbraw/zinc/03/78/31/1138037831.db2.gz QPKZSLBZMFAVIF-HNNXBMFYSA-N 0 3 328.456 3.929 20 10 EHCDHN COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCCOC1 ZINC000886359358 1138070799 /nfs/dbraw/zinc/07/07/99/1138070799.db2.gz AZVSAAFVWZIGHE-ICSRJNTNSA-N 0 3 341.451 3.590 20 10 EHCDHN CSCc1n[nH]c(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000886751127 1138131104 /nfs/dbraw/zinc/13/11/04/1138131104.db2.gz IIMJYAVYGNOJGI-CQSZACIVSA-N 0 3 345.516 3.509 20 10 EHCDHN CSCc1nnc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)[n-]1 ZINC000886751127 1138131106 /nfs/dbraw/zinc/13/11/06/1138131106.db2.gz IIMJYAVYGNOJGI-CQSZACIVSA-N 0 3 345.516 3.509 20 10 EHCDHN CCc1nc2c(s1)[C@@H](N(C)Cc1cc3c(cc1O)OCO3)CCC2 ZINC000126146612 1138325428 /nfs/dbraw/zinc/32/54/28/1138325428.db2.gz NZPIBUFZVZMTDT-ZDUSSCGKSA-N 0 3 346.452 3.649 20 10 EHCDHN CN(C)C(=O)Sc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000176922638 1139586414 /nfs/dbraw/zinc/58/64/14/1139586414.db2.gz HQJORODALDVEAP-UHFFFAOYSA-N 0 3 330.453 3.798 20 10 EHCDHN CN(C)C(=O)Sc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000176922638 1139586417 /nfs/dbraw/zinc/58/64/17/1139586417.db2.gz HQJORODALDVEAP-UHFFFAOYSA-N 0 3 330.453 3.798 20 10 EHCDHN COc1cc(O)c(CN(C)[C@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000179661262 1139772748 /nfs/dbraw/zinc/77/27/48/1139772748.db2.gz BHPDGYIJZOJPNY-LLVKDONJSA-N 0 3 337.366 3.881 20 10 EHCDHN CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1[O-])O[C@@H](C)C2 ZINC000179903083 1139791434 /nfs/dbraw/zinc/79/14/34/1139791434.db2.gz QKBDNNWOJVLERW-UONOGXRCSA-N 0 3 327.424 3.965 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180799905 1139864726 /nfs/dbraw/zinc/86/47/26/1139864726.db2.gz ZZCOWLPSEXEHGK-ZDUSSCGKSA-N 0 3 343.324 3.584 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180799905 1139864738 /nfs/dbraw/zinc/86/47/38/1139864738.db2.gz ZZCOWLPSEXEHGK-ZDUSSCGKSA-N 0 3 343.324 3.584 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1cc(F)ccc1[O-] ZINC000185019797 1140131777 /nfs/dbraw/zinc/13/17/77/1140131777.db2.gz IGCMFSYGBGLNQT-CYBMUJFWSA-N 0 3 328.387 3.509 20 10 EHCDHN CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185479292 1140152062 /nfs/dbraw/zinc/15/20/62/1140152062.db2.gz OGWANXNFGRBJNT-ORAYPTAESA-N 0 3 333.403 3.703 20 10 EHCDHN COc1cccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000193419510 1140576313 /nfs/dbraw/zinc/57/63/13/1140576313.db2.gz HZPNEZIOECYPLO-UHFFFAOYSA-N 0 3 343.398 3.635 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000270188550 1141190086 /nfs/dbraw/zinc/19/00/86/1141190086.db2.gz XROQTACALMUHOJ-BSEYFRJRSA-N 0 3 347.480 3.769 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Br)ccc1[O-] ZINC000049553242 1014354600 /nfs/dbraw/zinc/35/46/00/1014354600.db2.gz ZRDCLAWAGDAZPY-SMDDNHRTSA-N 0 3 329.282 3.536 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1[O-] ZINC000275355730 1016543069 /nfs/dbraw/zinc/54/30/69/1016543069.db2.gz RPLNJTLWHZUGDU-WOPDTQHZSA-N 0 3 328.250 3.539 20 10 EHCDHN CCOC(=O)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000129772955 1032617371 /nfs/dbraw/zinc/61/73/71/1032617371.db2.gz IKLWGDUVTVSVJO-UHFFFAOYSA-N 0 3 327.424 3.711 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)c1[O-] ZINC000779027143 1019693764 /nfs/dbraw/zinc/69/37/64/1019693764.db2.gz LQAYHRMXEGJUMU-RISCZKNCSA-N 0 3 330.266 3.521 20 10 EHCDHN Cc1ccc2c(ccnc2NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001167422949 1019732641 /nfs/dbraw/zinc/73/26/41/1019732641.db2.gz IBFSBRQXAHCYIQ-UHFFFAOYSA-N 0 3 346.478 3.907 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(C)cc1[O-] ZINC000280040520 1020009235 /nfs/dbraw/zinc/00/92/35/1020009235.db2.gz IVLJLOUAWDIDMO-OAHLLOKOSA-N 0 3 330.394 3.768 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(C)cc1[O-] ZINC000280106077 1020087836 /nfs/dbraw/zinc/08/78/36/1020087836.db2.gz NKBIRKZRRUGWJO-LJQANCHMSA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000280138125 1020104601 /nfs/dbraw/zinc/10/46/01/1020104601.db2.gz PLTFMIMGCRTWML-DYVFJYSZSA-N 0 3 327.428 3.993 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc3c(c2)OCCO3)cc1 ZINC000178209079 1022166169 /nfs/dbraw/zinc/16/61/69/1022166169.db2.gz MSFAHVSOZLCHPG-OAHLLOKOSA-N 0 3 326.440 3.765 20 10 EHCDHN COc1cc(C)cc(CNCc2cc(Cl)cc3c2OCC3)c1O ZINC000894459706 1022318354 /nfs/dbraw/zinc/31/83/54/1022318354.db2.gz ZQFLPRNYGVZQJP-UHFFFAOYSA-N 0 3 333.815 3.587 20 10 EHCDHN CCCC[N@H+](Cc1ccc2oc(=O)oc2c1)Cc1ccccc1[O-] ZINC000894678998 1022699382 /nfs/dbraw/zinc/69/93/82/1022699382.db2.gz IFEGATDXRVISRB-UHFFFAOYSA-N 0 3 327.380 3.894 20 10 EHCDHN CCCC[N@@H+](Cc1ccc2oc(=O)oc2c1)Cc1ccccc1[O-] ZINC000894678998 1022699396 /nfs/dbraw/zinc/69/93/96/1022699396.db2.gz IFEGATDXRVISRB-UHFFFAOYSA-N 0 3 327.380 3.894 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282373279 1024548426 /nfs/dbraw/zinc/54/84/26/1024548426.db2.gz IMDUXOQFMNDHPG-WMZOPIPTSA-N 0 3 339.439 3.739 20 10 EHCDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000895476294 1024548852 /nfs/dbraw/zinc/54/88/52/1024548852.db2.gz HNZWDJWCIVJEHS-NSHDSACASA-N 0 3 340.345 3.974 20 10 EHCDHN Cc1ccc(O)c([C@H](C)NCc2ccncc2OCC(F)(F)F)c1 ZINC000281737033 1025436974 /nfs/dbraw/zinc/43/69/74/1025436974.db2.gz VFVRMADAIFQAEH-LBPRGKRZSA-N 0 3 340.345 3.888 20 10 EHCDHN COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000192789830 1026344676 /nfs/dbraw/zinc/34/46/76/1026344676.db2.gz CRXSCSQIMUKQFQ-QWHCGFSZSA-N 0 3 331.412 3.830 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1ccnn1-c1ccccc1 ZINC000475203429 1026382028 /nfs/dbraw/zinc/38/20/28/1026382028.db2.gz PNAXXQHCAXDXHK-UHFFFAOYSA-N 0 3 330.435 3.962 20 10 EHCDHN C[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273124698 1027278148 /nfs/dbraw/zinc/27/81/48/1027278148.db2.gz AIMLESYFNDUOBT-WMZOPIPTSA-N 0 3 341.451 3.876 20 10 EHCDHN COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000273493133 1027456980 /nfs/dbraw/zinc/45/69/80/1027456980.db2.gz ORRYWQGKVXEMML-LBPRGKRZSA-N 0 3 332.375 3.603 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN1Cc1ccc(OC)cc1)c1ccccc1[O-] ZINC000527964495 1031531681 /nfs/dbraw/zinc/53/16/81/1031531681.db2.gz CLTHZQYZDONRHG-XLIONFOSSA-N 0 3 340.467 3.716 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000226864678 1033516418 /nfs/dbraw/zinc/51/64/18/1033516418.db2.gz UJRDYRXUEYQUHQ-WHOFXGATSA-N 0 3 341.293 3.678 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000759823967 1040963732 /nfs/dbraw/zinc/96/37/32/1040963732.db2.gz LJUJNXFXBQPLOT-KRWDZBQOSA-N 0 3 331.506 3.997 20 10 EHCDHN COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000183518270 1125586026 /nfs/dbraw/zinc/58/60/26/1125586026.db2.gz LQFDMTKNMRYSOD-HOTGVXAUSA-N 0 3 326.440 3.720 20 10 EHCDHN COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183632747 1125624585 /nfs/dbraw/zinc/62/45/85/1125624585.db2.gz HMHGEKWFXHEXTQ-GJZGRUSLSA-N 0 3 329.440 3.939 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185681243 1126982319 /nfs/dbraw/zinc/98/23/19/1126982319.db2.gz JEZDFHOWZWHBLV-YPMHNXCESA-N 0 3 336.357 3.739 20 10 EHCDHN c1nc(C2CC2)c(CNCc2ccc(N3CCSCC3)cc2)s1 ZINC000785427485 1127471445 /nfs/dbraw/zinc/47/14/45/1127471445.db2.gz XTQDMBRRIGSDGN-UHFFFAOYSA-N 0 3 345.537 3.864 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC000921556877 1127738784 /nfs/dbraw/zinc/73/87/84/1127738784.db2.gz JOGCVXADYBEEOS-UHFFFAOYSA-N 0 3 325.456 3.543 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCc2ccccc2C1 ZINC000919951913 1123244015 /nfs/dbraw/zinc/24/40/15/1123244015.db2.gz WOWKOMXDXKXAIW-SFHVURJKSA-N 0 3 339.435 3.890 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCc2ccccc2C1 ZINC000919951913 1123244018 /nfs/dbraw/zinc/24/40/18/1123244018.db2.gz WOWKOMXDXKXAIW-SFHVURJKSA-N 0 3 339.435 3.890 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179560140 1123796990 /nfs/dbraw/zinc/79/69/90/1123796990.db2.gz DMPLLXKVVHJQRB-DLBZAZTESA-N 0 3 338.234 3.789 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179560140 1123796993 /nfs/dbraw/zinc/79/69/93/1123796993.db2.gz DMPLLXKVVHJQRB-DLBZAZTESA-N 0 3 338.234 3.789 20 10 EHCDHN CN(Cc1ccccc1O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179560140 1123796996 /nfs/dbraw/zinc/79/69/96/1123796996.db2.gz DMPLLXKVVHJQRB-DLBZAZTESA-N 0 3 338.234 3.789 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1[O-] ZINC000179882289 1123886834 /nfs/dbraw/zinc/88/68/34/1123886834.db2.gz RQLZUJSBGNSZGG-BZNIZROVSA-N 0 3 348.805 3.641 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cn(-c3ccccc3)nc2C)c1 ZINC000186519227 1129357255 /nfs/dbraw/zinc/35/72/55/1129357255.db2.gz LFHBRSMAPMLOSP-HNNXBMFYSA-N 0 3 337.423 3.746 20 10 EHCDHN COc1cccc2c1OCC[C@H]2NCc1ccc(N(C)C)cc1C ZINC000766029354 1129842909 /nfs/dbraw/zinc/84/29/09/1129842909.db2.gz JIRAUJQZLODCDB-GOSISDBHSA-N 0 3 326.440 3.683 20 10 EHCDHN COc1ccc(N2CCN([C@H](C)CCOCC(C)C)CC2)c(C)c1 ZINC001172478064 1131737072 /nfs/dbraw/zinc/73/70/72/1131737072.db2.gz GFRLSDFEQLFWCW-GOSISDBHSA-N 0 3 334.504 3.577 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1[O-] ZINC000743377065 1131913187 /nfs/dbraw/zinc/91/31/87/1131913187.db2.gz XEZISNDNQQZHEK-BETUJISGSA-N 0 3 345.464 3.658 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1[O-] ZINC000743377065 1131913199 /nfs/dbraw/zinc/91/31/99/1131913199.db2.gz XEZISNDNQQZHEK-BETUJISGSA-N 0 3 345.464 3.658 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000743870612 1131996614 /nfs/dbraw/zinc/99/66/14/1131996614.db2.gz ZABTWFOXWNDXAU-KRWDZBQOSA-N 0 3 344.499 3.999 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000743870612 1131996618 /nfs/dbraw/zinc/99/66/18/1131996618.db2.gz ZABTWFOXWNDXAU-KRWDZBQOSA-N 0 3 344.499 3.999 20 10 EHCDHN CCSC[C@H](C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001173310594 1132038183 /nfs/dbraw/zinc/03/81/83/1132038183.db2.gz ZSDODPFJNSSVIL-ZDUSSCGKSA-N 0 3 348.434 3.849 20 10 EHCDHN CC[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000766435878 1132543577 /nfs/dbraw/zinc/54/35/77/1132543577.db2.gz BLYJJKKWOABUJA-IBGZPJMESA-N 0 3 331.504 3.584 20 10 EHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000766608389 1132685975 /nfs/dbraw/zinc/68/59/75/1132685975.db2.gz AXDXARUSSRZONS-OXJNMPFZSA-N 0 3 337.467 3.599 20 10 EHCDHN CCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1OCC ZINC001177586829 1133083404 /nfs/dbraw/zinc/08/34/04/1133083404.db2.gz LOKKCAGVBDEUFY-UHFFFAOYSA-N 0 3 327.424 3.709 20 10 EHCDHN CN(C)c1ccc(/C=C/CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC001178124900 1133138191 /nfs/dbraw/zinc/13/81/91/1133138191.db2.gz PPGOARZOGDCZTQ-ONEGZZNKSA-N 0 3 336.435 3.773 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCCCC[C@H]2C)c1[O-] ZINC000769405257 1133278779 /nfs/dbraw/zinc/27/87/79/1133278779.db2.gz RVCOHKWPJVFQPB-LLVKDONJSA-N 0 3 328.250 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCCCC[C@H]2C)c1[O-] ZINC000769405257 1133278781 /nfs/dbraw/zinc/27/87/81/1133278781.db2.gz RVCOHKWPJVFQPB-LLVKDONJSA-N 0 3 328.250 3.928 20 10 EHCDHN COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC001180112833 1133333457 /nfs/dbraw/zinc/33/34/57/1133333457.db2.gz OTJMKGPMPMFFCC-MRXNPFEDSA-N 0 3 347.842 3.880 20 10 EHCDHN COc1ccc(C[C@H]2CC[N@H+]2Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC001180112833 1133333461 /nfs/dbraw/zinc/33/34/61/1133333461.db2.gz OTJMKGPMPMFFCC-MRXNPFEDSA-N 0 3 347.842 3.880 20 10 EHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CCC(C)(C)C1 ZINC001180376361 1133362960 /nfs/dbraw/zinc/36/29/60/1133362960.db2.gz MUPWISWIMNSFRA-UHFFFAOYSA-N 0 3 345.512 3.617 20 10 EHCDHN C[C@@H](c1ccccc1Cl)N1CCN(Cc2ccccc2O)CC1 ZINC000770510134 1133435517 /nfs/dbraw/zinc/43/55/17/1133435517.db2.gz YIWQUKSJXVSYPN-HNNXBMFYSA-N 0 3 330.859 3.924 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000774481013 1133687268 /nfs/dbraw/zinc/68/72/68/1133687268.db2.gz GZDLBUYPPBYHLL-HAJKQMQPSA-N 0 3 345.531 3.733 20 10 EHCDHN Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c1 ZINC000786580431 1133869866 /nfs/dbraw/zinc/86/98/66/1133869866.db2.gz AMPCDWCZOYEPPD-FRFSOERESA-N 0 3 329.415 3.581 20 10 EHCDHN CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccnn1C ZINC000788260303 1134102417 /nfs/dbraw/zinc/10/24/17/1134102417.db2.gz YMNVXDGPBDFVJW-NFAWXSAZSA-N 0 3 331.435 3.843 20 10 EHCDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792825834 1134796635 /nfs/dbraw/zinc/79/66/35/1134796635.db2.gz BMFIPBNRUYOCRC-IUODEOHRSA-N 0 3 330.394 3.507 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500768 1134967370 /nfs/dbraw/zinc/96/73/70/1134967370.db2.gz KVXHAMSYIKHXRC-QGZVFWFLSA-N 0 3 340.895 3.587 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000806138759 1135391231 /nfs/dbraw/zinc/39/12/31/1135391231.db2.gz AZFOKKQCTYGFJL-OKZBNKHCSA-N 0 3 334.891 3.788 20 10 EHCDHN COc1ccc(O)c(CN2CCSC[C@H]2c2ccc(C)cc2)c1 ZINC000775701580 1135540158 /nfs/dbraw/zinc/54/01/58/1135540158.db2.gz SYPFBDLNKYIRRS-SFHVURJKSA-N 0 3 329.465 3.999 20 10 EHCDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(N(C)C)c(F)c1 ZINC000808683940 1135710473 /nfs/dbraw/zinc/71/04/73/1135710473.db2.gz AKXVCJWVVOOGCK-INIZCTEOSA-N 0 3 332.394 3.817 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c1[O-] ZINC000808674947 1135714040 /nfs/dbraw/zinc/71/40/40/1135714040.db2.gz RUQUIUJRBCOYHT-CYBMUJFWSA-N 0 3 329.831 3.895 20 10 EHCDHN Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808716213 1135720141 /nfs/dbraw/zinc/72/01/41/1135720141.db2.gz UBLPHMMZYGJUQF-WMLDXEAASA-N 0 3 333.859 3.917 20 10 EHCDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000809692593 1135867060 /nfs/dbraw/zinc/86/70/60/1135867060.db2.gz AZRZUVXJFDXUTD-IZAXUBKRSA-N 0 3 327.424 3.580 20 10 EHCDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000809692593 1135867062 /nfs/dbraw/zinc/86/70/62/1135867062.db2.gz AZRZUVXJFDXUTD-IZAXUBKRSA-N 0 3 327.424 3.580 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c([O-])c1 ZINC000809749391 1135885337 /nfs/dbraw/zinc/88/53/37/1135885337.db2.gz NDROKNHLPKAZPF-UHFFFAOYSA-N 0 3 343.471 3.680 20 10 EHCDHN Cc1cccc(CN2CCN(c3nccc4sccc43)CC2)c1O ZINC000809787269 1135891329 /nfs/dbraw/zinc/89/13/29/1135891329.db2.gz XKTGURVDHPHUTE-UHFFFAOYSA-N 0 3 339.464 3.633 20 10 EHCDHN CCOCC(C)(C)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000809789672 1135891920 /nfs/dbraw/zinc/89/19/20/1135891920.db2.gz XUEZPYJPAWUOFR-UHFFFAOYSA-N 0 3 330.266 3.615 20 10 EHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001199841804 1135931990 /nfs/dbraw/zinc/93/19/90/1135931990.db2.gz CYLAVJWYSDMDFU-OAHLLOKOSA-N 0 3 344.430 3.522 20 10 EHCDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC001202102210 1136094408 /nfs/dbraw/zinc/09/44/08/1136094408.db2.gz NFXBKXDOHCCCFZ-WMZOPIPTSA-N 0 3 326.431 3.714 20 10 EHCDHN CCOc1ccc(O)c(CN2Cc3ccc(OC)cc3C3(CC3)C2)c1 ZINC000811519123 1136098105 /nfs/dbraw/zinc/09/81/05/1136098105.db2.gz UGCMZWHIZPNYNM-UHFFFAOYSA-N 0 3 339.435 3.847 20 10 EHCDHN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)C1 ZINC000776337110 1136157748 /nfs/dbraw/zinc/15/77/48/1136157748.db2.gz RPXKWJGDJKSEJZ-CQSZACIVSA-N 0 3 340.423 3.582 20 10 EHCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)C1 ZINC000776337110 1136157750 /nfs/dbraw/zinc/15/77/50/1136157750.db2.gz RPXKWJGDJKSEJZ-CQSZACIVSA-N 0 3 340.423 3.582 20 10 EHCDHN COc1cc(CNCc2ccc([N+](=O)[O-])cc2)c(O)c(C(C)(C)C)c1 ZINC000850038763 1136201740 /nfs/dbraw/zinc/20/17/40/1136201740.db2.gz YWGOLZYBIUPLLJ-UHFFFAOYSA-N 0 3 344.411 3.896 20 10 EHCDHN COC[C@@H](C)Oc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000850098964 1136211057 /nfs/dbraw/zinc/21/10/57/1136211057.db2.gz CLQURXHHKMBVSQ-OAHLLOKOSA-N 0 3 346.446 3.595 20 10 EHCDHN CCOc1ccc(O)c(CNC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850356498 1136240152 /nfs/dbraw/zinc/24/01/52/1136240152.db2.gz WKAKGZGUTQBMAW-INIZCTEOSA-N 0 3 347.377 3.771 20 10 EHCDHN CC(=O)NCc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000850484333 1136268324 /nfs/dbraw/zinc/26/83/24/1136268324.db2.gz HDOSJGNWKGBLSP-SJCJKPOMSA-N 0 3 342.414 3.506 20 10 EHCDHN CC[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(F)cn1 ZINC000850489985 1136270177 /nfs/dbraw/zinc/27/01/77/1136270177.db2.gz ZJVBAOHQMTYSHG-CRAIPNDOSA-N 0 3 329.419 3.549 20 10 EHCDHN C[C@H](COc1c(F)cccc1F)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000850522569 1136276535 /nfs/dbraw/zinc/27/65/35/1136276535.db2.gz GLXGCJBKXPHVQX-GHMZBOCLSA-N 0 3 325.330 3.928 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000850541362 1136282192 /nfs/dbraw/zinc/28/21/92/1136282192.db2.gz VMBPWSINEIQFPA-YTQUADARSA-N 0 3 327.472 3.886 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000850565523 1136287026 /nfs/dbraw/zinc/28/70/26/1136287026.db2.gz DBQIEWDBJRUGAX-CMPLNLGQSA-N 0 3 329.362 3.610 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2OC(F)F)c1 ZINC000850570567 1136289152 /nfs/dbraw/zinc/28/91/52/1136289152.db2.gz WITJNQBKNHNLER-SNVBAGLBSA-N 0 3 341.329 3.992 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c([O-])c1 ZINC000813793547 1136363583 /nfs/dbraw/zinc/36/35/83/1136363583.db2.gz UHKSZYLWMNUVPX-KPZWWZAWSA-N 0 3 333.453 3.645 20 10 EHCDHN Oc1cccc2c1[C@@H](N[C@@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000853243058 1136521495 /nfs/dbraw/zinc/52/14/95/1136521495.db2.gz WUINSCDNYYUXQD-DLBZAZTESA-N 0 3 331.419 3.842 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)Cc1ccccc1 ZINC000111232781 1136524655 /nfs/dbraw/zinc/52/46/55/1136524655.db2.gz TZBMQJBQRYAFQQ-IBGZPJMESA-N 0 3 337.419 3.591 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000815596032 1136616503 /nfs/dbraw/zinc/61/65/03/1136616503.db2.gz IOKSVEFMHMHIJX-RXVVDRJESA-N 0 3 347.462 3.936 20 10 EHCDHN Cc1cc(C)c([C@H](C)NCc2nc3cc(F)ccc3n2C)c(O)c1 ZINC000815594084 1136616532 /nfs/dbraw/zinc/61/65/32/1136616532.db2.gz FPDNHHPIINFFPZ-ZDUSSCGKSA-N 0 3 327.403 3.886 20 10 EHCDHN Cc1cc(CN[C@@H](CCc2ccccc2)c2ccccc2O)ncn1 ZINC000815599489 1136616926 /nfs/dbraw/zinc/61/69/26/1136616926.db2.gz UPWNOTBEPLMWGB-FQEVSTJZSA-N 0 3 333.435 3.954 20 10 EHCDHN Cc1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])ncn1 ZINC000815599489 1136616927 /nfs/dbraw/zinc/61/69/27/1136616927.db2.gz UPWNOTBEPLMWGB-FQEVSTJZSA-N 0 3 333.435 3.954 20 10 EHCDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(=O)OC)cc1 ZINC000815571604 1136617834 /nfs/dbraw/zinc/61/78/34/1136617834.db2.gz IAIYNQSSMSZXTL-GOSISDBHSA-N 0 3 344.430 3.919 20 10 EHCDHN CC(C)N(C)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815573287 1136618067 /nfs/dbraw/zinc/61/80/67/1136618067.db2.gz FITAFVJFTKOEEM-HXUWFJFHSA-N 0 3 326.484 3.996 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCC1(O)CCC1 ZINC000815624198 1136620464 /nfs/dbraw/zinc/62/04/64/1136620464.db2.gz SBAPETSJNAFRDA-LJQANCHMSA-N 0 3 325.452 3.961 20 10 EHCDHN Cc1nccn1-c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816536669 1136731217 /nfs/dbraw/zinc/73/12/17/1136731217.db2.gz GNYOSQCYUMUYQP-UHFFFAOYSA-N 0 3 344.418 3.724 20 10 EHCDHN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816660563 1136745943 /nfs/dbraw/zinc/74/59/43/1136745943.db2.gz ISXROSPCYRFFNB-HRAATJIYSA-N 0 3 341.451 3.612 20 10 EHCDHN COc1cc(C)cc(CN(Cc2cccs2)C[C@H]2CCCO2)c1O ZINC000818287842 1136869705 /nfs/dbraw/zinc/86/97/05/1136869705.db2.gz STVDYFMRLRSDSY-MRXNPFEDSA-N 0 3 347.480 3.952 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@H]3CCc4ccc(Cl)nc43)C2)cc1 ZINC000857914997 1136922219 /nfs/dbraw/zinc/92/22/19/1136922219.db2.gz SDXOVTUUVXXHFG-YOEHRIQHSA-N 0 3 343.858 3.599 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000858315186 1136957730 /nfs/dbraw/zinc/95/77/30/1136957730.db2.gz IQSJAXZAUSGVMV-OAHLLOKOSA-N 0 3 326.223 3.912 20 10 EHCDHN C[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(N2CCCCC2)cc1 ZINC000858528246 1136976300 /nfs/dbraw/zinc/97/63/00/1136976300.db2.gz PEQFPQWVBAYMHT-KKSFZXQISA-N 0 3 349.478 3.891 20 10 EHCDHN CC[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc(C)cc1[O-] ZINC000858594864 1136981705 /nfs/dbraw/zinc/98/17/05/1136981705.db2.gz IOURNRJFOBHKMJ-QUCCMNQESA-N 0 3 343.467 3.709 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)cc(Cl)c1 ZINC000777217340 1137119222 /nfs/dbraw/zinc/11/92/22/1137119222.db2.gz MQECLWVXDVBUHQ-UHFFFAOYSA-N 0 3 348.849 3.948 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CCCC2CCOCC2)c1[O-] ZINC000824477769 1137139423 /nfs/dbraw/zinc/13/94/23/1137139423.db2.gz WYTNVGLPOQNCNX-UHFFFAOYSA-N 0 3 342.277 3.760 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2ccnn2-c2ccncc2)cc1 ZINC000824541577 1137143708 /nfs/dbraw/zinc/14/37/08/1137143708.db2.gz DZEOYAGSQFVMOG-UHFFFAOYSA-N 0 3 349.482 3.746 20 10 EHCDHN CC1(C)OCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824626383 1137146979 /nfs/dbraw/zinc/14/69/79/1137146979.db2.gz YXHIKXHWLWQYOZ-LJQANCHMSA-N 0 3 327.424 3.628 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824821295 1137153770 /nfs/dbraw/zinc/15/37/70/1137153770.db2.gz XWDHQZHVWVDOCE-HNNXBMFYSA-N 0 3 342.395 3.689 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824821295 1137153771 /nfs/dbraw/zinc/15/37/71/1137153771.db2.gz XWDHQZHVWVDOCE-HNNXBMFYSA-N 0 3 342.395 3.689 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)c([O-])c1 ZINC000825090816 1137165224 /nfs/dbraw/zinc/16/52/24/1137165224.db2.gz JLUOIBZDFAWXGO-QAQDUYKDSA-N 0 3 327.424 3.835 20 10 EHCDHN CCc1cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702896 1137236209 /nfs/dbraw/zinc/23/62/09/1137236209.db2.gz KPCMZYXFKOSXTP-YCRPNKLZSA-N 0 3 347.499 3.632 20 10 EHCDHN CC[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794800601 1137252137 /nfs/dbraw/zinc/25/21/37/1137252137.db2.gz DJQAZLGOSUFINS-OALUTQOASA-N 0 3 340.467 3.961 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1ccc(C)cc1[O-] ZINC000794803389 1137254782 /nfs/dbraw/zinc/25/47/82/1137254782.db2.gz QTHNHEZBZVMILD-PKOBYXMFSA-N 0 3 343.467 3.798 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(C(=O)OC(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794810476 1137259467 /nfs/dbraw/zinc/25/94/67/1137259467.db2.gz LIGAOAWRHFBMFV-KRWDZBQOSA-N 0 3 334.460 3.751 20 10 EHCDHN Cc1scc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1C ZINC000865427022 1137282722 /nfs/dbraw/zinc/28/27/22/1137282722.db2.gz KZXTVBHSLZETMN-UHFFFAOYSA-N 0 3 348.487 3.755 20 10 EHCDHN Brc1cnccc1CNCCCSc1nccs1 ZINC000865468948 1137286535 /nfs/dbraw/zinc/28/65/35/1137286535.db2.gz NBHSFIFQAFGAFL-UHFFFAOYSA-N 0 3 344.303 3.573 20 10 EHCDHN CN(C)c1ccc(/C=C\CN2CCN(C)C[C@@H]2Cc2ccccc2)cc1 ZINC000846066939 1137332572 /nfs/dbraw/zinc/33/25/72/1137332572.db2.gz JPZODFYKXWINLP-GNQFWKNRSA-N 0 3 349.522 3.625 20 10 EHCDHN COC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(F)c(F)c1 ZINC000846159409 1137336922 /nfs/dbraw/zinc/33/69/22/1137336922.db2.gz OHBGBXLLGZKNPR-BDJLRTHQSA-N 0 3 337.366 3.717 20 10 EHCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N(C)C)cc2C)c1 ZINC000122651252 1137457436 /nfs/dbraw/zinc/45/74/36/1137457436.db2.gz VGWXPXASGCVLDA-OAHLLOKOSA-N 0 3 325.456 3.870 20 10 EHCDHN COc1ccc(OC)c([C@@H](C)NCc2ccc(N(C)C)cc2C)c1 ZINC000122668597 1137458173 /nfs/dbraw/zinc/45/81/73/1137458173.db2.gz KCOVUDJEPWCTEH-OAHLLOKOSA-N 0 3 328.456 3.929 20 10 EHCDHN C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000773026685 1137460363 /nfs/dbraw/zinc/46/03/63/1137460363.db2.gz OQRIQAZHFPHDDW-GQIGUUNPSA-N 0 3 337.467 3.597 20 10 EHCDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000773121413 1137466814 /nfs/dbraw/zinc/46/68/14/1137466814.db2.gz ZHGXXQUNECZGPZ-BLLLJJGKSA-N 0 3 348.384 3.780 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)c2c1c(F)ccc2[O-] ZINC000872123768 1137572806 /nfs/dbraw/zinc/57/28/06/1137572806.db2.gz VFNFZUOPYBQAAS-NOZJJQNGSA-N 0 3 328.343 3.716 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4CSC[C@@H]4C3)c2c1 ZINC000872721605 1137583112 /nfs/dbraw/zinc/58/31/12/1137583112.db2.gz ICHNTYVGHYBICH-CABCVRRESA-N 0 3 329.465 3.739 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4CSC[C@@H]4C3)c2c1 ZINC000872721605 1137583113 /nfs/dbraw/zinc/58/31/13/1137583113.db2.gz ICHNTYVGHYBICH-CABCVRRESA-N 0 3 329.465 3.739 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000876988719 1137667018 /nfs/dbraw/zinc/66/70/18/1137667018.db2.gz JZULZYQDWKNWAU-CQSZACIVSA-N 0 3 332.394 3.595 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000877032325 1137668175 /nfs/dbraw/zinc/66/81/75/1137668175.db2.gz HNLMWZIEICBTGS-UHFFFAOYSA-N 0 3 339.464 3.942 20 10 EHCDHN CCOc1cccc(CNCc2ccc(C)cc2O)c1OC(F)F ZINC000877084053 1137669818 /nfs/dbraw/zinc/66/98/18/1137669818.db2.gz IRUQQGDVYGQEGV-UHFFFAOYSA-N 0 3 337.366 3.991 20 10 EHCDHN COc1ccccc1COC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000877178003 1137672312 /nfs/dbraw/zinc/67/23/12/1137672312.db2.gz YOIWRXIESKJNSU-UHFFFAOYSA-N 0 3 341.451 3.890 20 10 EHCDHN CN(C)c1ccc(CN(CCC[C@H]2CCO2)Cc2ccco2)cc1 ZINC000877523028 1137679607 /nfs/dbraw/zinc/67/96/07/1137679607.db2.gz VGBYZQRSGJJJHP-IBGZPJMESA-N 0 3 328.456 3.917 20 10 EHCDHN CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649111 1137753595 /nfs/dbraw/zinc/75/35/95/1137753595.db2.gz LWKMLHRAKFYRNJ-OLZOCXBDSA-N 0 3 330.453 3.792 20 10 EHCDHN Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])C2CC2)cc1 ZINC000879651205 1137753776 /nfs/dbraw/zinc/75/37/76/1137753776.db2.gz MOGGXEVDPFUERG-INIZCTEOSA-N 0 3 338.451 3.542 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879650048 1137753812 /nfs/dbraw/zinc/75/38/12/1137753812.db2.gz YYMUXLPTPGSCEF-BEFAXECRSA-N 0 3 338.451 3.579 20 10 EHCDHN C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1Cl ZINC000879652528 1137753958 /nfs/dbraw/zinc/75/39/58/1137753958.db2.gz FHXIWWARXWNPTL-STQMWFEESA-N 0 3 332.831 3.574 20 10 EHCDHN C[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631676 1138103935 /nfs/dbraw/zinc/10/39/35/1138103935.db2.gz UBYWEJOFXJKQAZ-PBHICJAKSA-N 0 3 339.414 3.899 20 10 EHCDHN C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1c([O-])cccc1F ZINC000886631676 1138103937 /nfs/dbraw/zinc/10/39/37/1138103937.db2.gz UBYWEJOFXJKQAZ-PBHICJAKSA-N 0 3 339.414 3.899 20 10 EHCDHN C[C@@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000886711280 1138122441 /nfs/dbraw/zinc/12/24/41/1138122441.db2.gz RICQCICSPXHKRB-ZBFHGGJFSA-N 0 3 337.435 3.548 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c2c1c(F)ccc2[O-] ZINC000886771987 1138137501 /nfs/dbraw/zinc/13/75/01/1138137501.db2.gz QUIIMAREXABYJR-IKVMMTMZSA-N 0 3 349.446 3.642 20 10 EHCDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000093888734 1138242955 /nfs/dbraw/zinc/24/29/55/1138242955.db2.gz LDCSIGRMXJRHKM-NPMXOYFQSA-N 0 3 330.497 3.683 20 10 EHCDHN COCc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000179236251 1139744954 /nfs/dbraw/zinc/74/49/54/1139744954.db2.gz IQLBHNAZMWWBBA-FQEVSTJZSA-N 0 3 341.451 3.720 20 10 EHCDHN COCc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000179236251 1139744958 /nfs/dbraw/zinc/74/49/58/1139744958.db2.gz IQLBHNAZMWWBBA-FQEVSTJZSA-N 0 3 341.451 3.720 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179575503 1139766578 /nfs/dbraw/zinc/76/65/78/1139766578.db2.gz DMLWOFYAPIJWCQ-LSDHHAIUSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179575503 1139766581 /nfs/dbraw/zinc/76/65/81/1139766581.db2.gz DMLWOFYAPIJWCQ-LSDHHAIUSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000179643719 1139771730 /nfs/dbraw/zinc/77/17/30/1139771730.db2.gz IYIRCBHCKDBWCC-FUHWJXTLSA-N 0 3 339.435 3.909 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000179643719 1139771733 /nfs/dbraw/zinc/77/17/33/1139771733.db2.gz IYIRCBHCKDBWCC-FUHWJXTLSA-N 0 3 339.435 3.909 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000179643734 1139772005 /nfs/dbraw/zinc/77/20/05/1139772005.db2.gz IYIRCBHCKDBWCC-SJLPKXTDSA-N 0 3 339.435 3.909 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000179643734 1139772012 /nfs/dbraw/zinc/77/20/12/1139772012.db2.gz IYIRCBHCKDBWCC-SJLPKXTDSA-N 0 3 339.435 3.909 20 10 EHCDHN COc1ccc(O)c(CN(C)Cc2ccc(SC)c(OC)c2)c1 ZINC000179919833 1139792348 /nfs/dbraw/zinc/79/23/48/1139792348.db2.gz BIRPKCSNLCCWTF-UHFFFAOYSA-N 0 3 333.453 3.763 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183543236 1140045272 /nfs/dbraw/zinc/04/52/72/1140045272.db2.gz JDMQVWJOVZNNHF-LBPRGKRZSA-N 0 3 348.830 3.734 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183633580 1140051144 /nfs/dbraw/zinc/05/11/44/1140051144.db2.gz DDUIDISGASKFLL-JLBUNGTFSA-N 0 3 332.394 3.766 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000186020766 1140182928 /nfs/dbraw/zinc/18/29/28/1140182928.db2.gz NEFVCGMLISVRGV-MRXNPFEDSA-N 0 3 338.451 3.674 20 10 EHCDHN CSC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000188176591 1140285890 /nfs/dbraw/zinc/28/58/90/1140285890.db2.gz UQGZISATCXIVRM-QAPCUYQASA-N 0 3 331.481 3.679 20 10 EHCDHN CSC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000188176591 1140285894 /nfs/dbraw/zinc/28/58/94/1140285894.db2.gz UQGZISATCXIVRM-QAPCUYQASA-N 0 3 331.481 3.679 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000270188552 1141190509 /nfs/dbraw/zinc/19/05/09/1141190509.db2.gz XROQTACALMUHOJ-LFPIHBKWSA-N 0 3 347.480 3.769 20 10 EHCDHN CC[C@@](C)(CCO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183159766 1125458931 /nfs/dbraw/zinc/45/89/31/1125458931.db2.gz NVALQZPQDXHZOG-FQEVSTJZSA-N 0 3 329.440 3.612 20 10 EHCDHN Fc1cc(Cl)cc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000275045735 1015813628 /nfs/dbraw/zinc/81/36/28/1015813628.db2.gz ZQJMRQOFDCVCFR-UHFFFAOYSA-N 0 3 334.822 3.606 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1[O-] ZINC000275274084 1016249277 /nfs/dbraw/zinc/24/92/77/1016249277.db2.gz CNHRAQYGIGRRLB-QWRGUYRKSA-N 0 3 338.249 3.608 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000155514124 1018099020 /nfs/dbraw/zinc/09/90/20/1018099020.db2.gz DYLFJYFBKWXSAT-WMZOPIPTSA-N 0 3 340.467 3.968 20 10 EHCDHN CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1OC)c1ccccc1[O-] ZINC000155602006 1018569468 /nfs/dbraw/zinc/56/94/68/1018569468.db2.gz LVTBIRAWRCYICT-INIZCTEOSA-N 0 3 345.439 3.701 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(C)cc1[O-] ZINC000280026515 1019991427 /nfs/dbraw/zinc/99/14/27/1019991427.db2.gz HSTXEVZQGWXUMB-LJQANCHMSA-N 0 3 336.439 3.581 20 10 EHCDHN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)cc1O ZINC000280069671 1020057447 /nfs/dbraw/zinc/05/74/47/1020057447.db2.gz KXTUOAWUZQWXKH-INIZCTEOSA-N 0 3 330.384 3.858 20 10 EHCDHN CC[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(C)cc1[O-] ZINC000280103963 1020084795 /nfs/dbraw/zinc/08/47/95/1020084795.db2.gz NHILQXZPHVCHBA-IBGZPJMESA-N 0 3 340.467 3.686 20 10 EHCDHN CCOC(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])OCC ZINC000276278754 1020979326 /nfs/dbraw/zinc/97/93/26/1020979326.db2.gz XGOMKYYQNIYEHX-UHFFFAOYSA-N 0 3 329.440 3.938 20 10 EHCDHN COc1cc(C)cc(CN[C@H]2CCCOc3cc(F)ccc32)c1O ZINC000894375859 1021176341 /nfs/dbraw/zinc/17/63/41/1021176341.db2.gz NUEKVWGRUNHOMV-INIZCTEOSA-N 0 3 331.387 3.852 20 10 EHCDHN COc1ccc(C2CC2)cc1CNCc1cc(OC)c(OC)cc1O ZINC000895538736 1024597747 /nfs/dbraw/zinc/59/77/47/1024597747.db2.gz JCAPWNWTNVPWAZ-UHFFFAOYSA-N 0 3 343.423 3.585 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c1[O-] ZINC000895658728 1024697270 /nfs/dbraw/zinc/69/72/70/1024697270.db2.gz NBFTZGWALMQWOI-QGZVFWFLSA-N 0 3 335.831 3.656 20 10 EHCDHN CCCN(CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccccc1O ZINC000727831268 1025220997 /nfs/dbraw/zinc/22/09/97/1025220997.db2.gz SAWVJIJQRQLLHA-MRXNPFEDSA-N 0 3 338.451 3.582 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000897227413 1026525158 /nfs/dbraw/zinc/52/51/58/1026525158.db2.gz CSBYTLBDTCXBQA-LBPRGKRZSA-N 0 3 327.852 3.738 20 10 EHCDHN CCC1(O)CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273188970 1027301954 /nfs/dbraw/zinc/30/19/54/1027301954.db2.gz PLKNYKMBUCNCLD-UHFFFAOYSA-N 0 3 341.451 3.708 20 10 EHCDHN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000273494820 1027457025 /nfs/dbraw/zinc/45/70/25/1027457025.db2.gz OZCFWYVZSIMGLT-QWHCGFSZSA-N 0 3 328.460 3.924 20 10 EHCDHN COc1cc(C)cc(CNCc2ccccc2OCC2CC2)c1O ZINC000894278862 1028227276 /nfs/dbraw/zinc/22/72/76/1028227276.db2.gz ULTZLBIIXMPGJQ-UHFFFAOYSA-N 0 3 327.424 3.788 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000528017158 1031634029 /nfs/dbraw/zinc/63/40/29/1031634029.db2.gz WKEIBVUMKWJWSO-CYBMUJFWSA-N 0 3 338.879 3.653 20 10 EHCDHN C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000278629002 1031723851 /nfs/dbraw/zinc/72/38/51/1031723851.db2.gz RWTXBPYVCAXMLT-DLBZAZTESA-N 0 3 342.483 3.697 20 10 EHCDHN COc1cc(Cl)cc(CN[C@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898178357 1033379677 /nfs/dbraw/zinc/37/96/77/1033379677.db2.gz BHXHQAYITJFKNF-GFCCVEGCSA-N 0 3 349.862 3.902 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)c1[O-] ZINC000898178357 1033379687 /nfs/dbraw/zinc/37/96/87/1033379687.db2.gz BHXHQAYITJFKNF-GFCCVEGCSA-N 0 3 349.862 3.902 20 10 EHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898181341 1033382384 /nfs/dbraw/zinc/38/23/84/1033382384.db2.gz FPEKCTJRZKZXQC-KBPBESRZSA-N 0 3 329.444 3.809 20 10 EHCDHN COc1cc(C)cc(CN[C@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898183871 1033383051 /nfs/dbraw/zinc/38/30/51/1033383051.db2.gz OVJGIZWVKJOZNT-CQSZACIVSA-N 0 3 329.444 3.557 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)c([O-])c1 ZINC000186108357 1039292757 /nfs/dbraw/zinc/29/27/57/1039292757.db2.gz GLASLYFTPSQFOF-LBPRGKRZSA-N 0 3 340.345 3.844 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000238096537 1039489975 /nfs/dbraw/zinc/48/99/75/1039489975.db2.gz IUSNRTFGTBWDBO-UHFFFAOYSA-N 0 3 331.843 3.884 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1cc(F)ccc1[O-] ZINC000310311549 1039693098 /nfs/dbraw/zinc/69/30/98/1039693098.db2.gz UCKXINOVGGTEMY-QMTMVMCOSA-N 0 3 328.431 3.845 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000156336022 1041123118 /nfs/dbraw/zinc/12/31/18/1041123118.db2.gz GLLDWBABNZXEIY-DOTOQJQBSA-N 0 3 326.440 3.720 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc2nccn21 ZINC000183376601 1125542227 /nfs/dbraw/zinc/54/22/27/1125542227.db2.gz WSFXRNBSNYRCLE-UHFFFAOYSA-N 0 3 334.467 3.957 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cc(F)ccc1[O-] ZINC000184920432 1126712899 /nfs/dbraw/zinc/71/28/99/1126712899.db2.gz VFAJPJQYIZZSAY-AWEZNQCLSA-N 0 3 325.387 3.627 20 10 EHCDHN COc1ccc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000185312070 1126862135 /nfs/dbraw/zinc/86/21/35/1126862135.db2.gz MREURYQANGYCEG-AWEZNQCLSA-N 0 3 344.430 3.860 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185394678 1126885685 /nfs/dbraw/zinc/88/56/85/1126885685.db2.gz KIMCZNCSADUWGC-HZPDHXFCSA-N 0 3 348.487 3.998 20 10 EHCDHN C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1[O-] ZINC000185577077 1126948065 /nfs/dbraw/zinc/94/80/65/1126948065.db2.gz RVOMKBVUWOKJAE-CYBMUJFWSA-N 0 3 343.377 3.749 20 10 EHCDHN COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c2ccccc2n1 ZINC000185574031 1126946019 /nfs/dbraw/zinc/94/60/19/1126946019.db2.gz BAFSHNCKDCHNCM-LBPRGKRZSA-N 0 3 326.371 3.939 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000073005517 1126969102 /nfs/dbraw/zinc/96/91/02/1126969102.db2.gz ZXORKMLBVYONRP-OAHLLOKOSA-N 0 3 347.418 3.890 20 10 EHCDHN CCOc1ccc(CNCc2ccc3c(c2)CCCO3)cc1OC ZINC000921524471 1127623367 /nfs/dbraw/zinc/62/33/67/1127623367.db2.gz OAGYBPTXNARBAG-UHFFFAOYSA-N 0 3 327.424 3.709 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1(CO)CCCC1 ZINC000186522822 1129396805 /nfs/dbraw/zinc/39/68/05/1129396805.db2.gz MIFYLPABZUNUSQ-UHFFFAOYSA-N 0 3 341.451 3.614 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282373270 1129665689 /nfs/dbraw/zinc/66/56/89/1129665689.db2.gz IMDUXOQFMNDHPG-AEFFLSMTSA-N 0 3 339.439 3.739 20 10 EHCDHN CC1CCC(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000731848391 1130849142 /nfs/dbraw/zinc/84/91/42/1130849142.db2.gz XTZAJZHSMGPHPI-UHFFFAOYSA-N 0 3 344.499 3.832 20 10 EHCDHN CC1CCC(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000731848391 1130849150 /nfs/dbraw/zinc/84/91/50/1130849150.db2.gz XTZAJZHSMGPHPI-UHFFFAOYSA-N 0 3 344.499 3.832 20 10 EHCDHN CCN(CC)C(=O)C1(NCc2ccc(OC)c(C)c2)CCCCC1 ZINC000736639425 1131429529 /nfs/dbraw/zinc/42/95/29/1131429529.db2.gz WODPIVQWPUMXPE-UHFFFAOYSA-N 0 3 332.488 3.665 20 10 EHCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172919773 1131903748 /nfs/dbraw/zinc/90/37/48/1131903748.db2.gz HMPNACPEIKGOQL-KRWDZBQOSA-N 0 3 338.407 3.606 20 10 EHCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172919773 1131903754 /nfs/dbraw/zinc/90/37/54/1131903754.db2.gz HMPNACPEIKGOQL-KRWDZBQOSA-N 0 3 338.407 3.606 20 10 EHCDHN C[C@H]1C[C@H](c2ccccc2F)N(Cc2cc3c(cc2O)OCO3)C1 ZINC000743371533 1131904396 /nfs/dbraw/zinc/90/43/96/1131904396.db2.gz CFOUTSMUTKPMNT-BLLLJJGKSA-N 0 3 329.371 3.843 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1[O-] ZINC000743377071 1131912849 /nfs/dbraw/zinc/91/28/49/1131912849.db2.gz XEZISNDNQQZHEK-CHWSQXEVSA-N 0 3 345.464 3.658 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000743870613 1131995685 /nfs/dbraw/zinc/99/56/85/1131995685.db2.gz ZABTWFOXWNDXAU-QGZVFWFLSA-N 0 3 344.499 3.999 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000743870613 1131995693 /nfs/dbraw/zinc/99/56/93/1131995693.db2.gz ZABTWFOXWNDXAU-QGZVFWFLSA-N 0 3 344.499 3.999 20 10 EHCDHN CCCC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000768290042 1133121860 /nfs/dbraw/zinc/12/18/60/1133121860.db2.gz AHLCTDROCAQFTK-UHFFFAOYSA-N 0 3 328.250 3.928 20 10 EHCDHN CCCC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000768290042 1133121863 /nfs/dbraw/zinc/12/18/63/1133121863.db2.gz AHLCTDROCAQFTK-UHFFFAOYSA-N 0 3 328.250 3.928 20 10 EHCDHN Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768445703 1133140031 /nfs/dbraw/zinc/14/00/31/1133140031.db2.gz IGIOJVYEDDIQSQ-UYAOXDASSA-N 0 3 339.435 3.854 20 10 EHCDHN Cc1ccc([C@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768445703 1133140035 /nfs/dbraw/zinc/14/00/35/1133140035.db2.gz IGIOJVYEDDIQSQ-UYAOXDASSA-N 0 3 339.435 3.854 20 10 EHCDHN CC(C)(C)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccc(F)cc1 ZINC000768444473 1133140207 /nfs/dbraw/zinc/14/02/07/1133140207.db2.gz YKRHCAIELKLWJH-HKUYNNGSSA-N 0 3 345.414 3.834 20 10 EHCDHN CC(C)(C)[C@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccc(F)cc1 ZINC000768444478 1133140240 /nfs/dbraw/zinc/14/02/40/1133140240.db2.gz YKRHCAIELKLWJH-IEBWSBKVSA-N 0 3 345.414 3.834 20 10 EHCDHN Oc1cc2c(cc1CN1CCCC[C@H]1c1ccc(F)cc1)[C@H](O)CO2 ZINC000768464478 1133144508 /nfs/dbraw/zinc/14/45/08/1133144508.db2.gz SLGWDOZIJHTSDK-PKOBYXMFSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)[C@H](O)CO2 ZINC000768464478 1133144510 /nfs/dbraw/zinc/14/45/10/1133144510.db2.gz SLGWDOZIJHTSDK-PKOBYXMFSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1c1ccc(F)cc1)[C@H](O)CO2 ZINC000768464478 1133144514 /nfs/dbraw/zinc/14/45/14/1133144514.db2.gz SLGWDOZIJHTSDK-PKOBYXMFSA-N 0 3 343.398 3.684 20 10 EHCDHN Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768462131 1133144546 /nfs/dbraw/zinc/14/45/46/1133144546.db2.gz JVBMPCMYSKXUOU-UYAOXDASSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768462131 1133144549 /nfs/dbraw/zinc/14/45/49/1133144549.db2.gz JVBMPCMYSKXUOU-UYAOXDASSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cc(CCNCc2cc3n(n2)CCC3)c(C)n1-c1ccccc1 ZINC001179294949 1133240973 /nfs/dbraw/zinc/24/09/73/1133240973.db2.gz HTKIFUSLESQVCS-UHFFFAOYSA-N 0 3 334.467 3.569 20 10 EHCDHN CCC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000769200647 1133243233 /nfs/dbraw/zinc/24/32/33/1133243233.db2.gz FXFZVZNJNPJNSE-UHFFFAOYSA-N 0 3 343.423 3.584 20 10 EHCDHN CCC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000769200647 1133243236 /nfs/dbraw/zinc/24/32/36/1133243236.db2.gz FXFZVZNJNPJNSE-UHFFFAOYSA-N 0 3 343.423 3.584 20 10 EHCDHN COc1cccc(O)c1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000769531610 1133310675 /nfs/dbraw/zinc/31/06/75/1133310675.db2.gz DLLLEDOCBMTWMY-ZDUSSCGKSA-N 0 3 333.815 3.708 20 10 EHCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001180198872 1133347633 /nfs/dbraw/zinc/34/76/33/1133347633.db2.gz KOTUNGBJHJNQJG-CHWSQXEVSA-N 0 3 332.419 3.582 20 10 EHCDHN CCCN1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC001180488555 1133376759 /nfs/dbraw/zinc/37/67/59/1133376759.db2.gz QGOJTYTYZYHXET-UHFFFAOYSA-N 0 3 343.540 3.912 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000774486539 1133688890 /nfs/dbraw/zinc/68/88/90/1133688890.db2.gz WGBFCCKAIFHIPJ-QWHCGFSZSA-N 0 3 347.409 3.709 20 10 EHCDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CCCN2CC2CC2)cc1 ZINC001182557706 1133696203 /nfs/dbraw/zinc/69/62/03/1133696203.db2.gz LQDORXPTJLIHGG-NRFANRHFSA-N 0 3 349.478 3.676 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c([O-])c1 ZINC000785570100 1133728244 /nfs/dbraw/zinc/72/82/44/1133728244.db2.gz LIJAYPXSCUIANJ-YJBOKZPZSA-N 0 3 330.472 3.675 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(CCCC2)O1 ZINC000788018287 1134065115 /nfs/dbraw/zinc/06/51/15/1134065115.db2.gz AEMSQGGCHICTDT-MOPGFXCFSA-N 0 3 345.483 3.865 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(CCCC2)O1 ZINC000788018287 1134065122 /nfs/dbraw/zinc/06/51/22/1134065122.db2.gz AEMSQGGCHICTDT-MOPGFXCFSA-N 0 3 345.483 3.865 20 10 EHCDHN CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccnn1C ZINC000788260302 1134102171 /nfs/dbraw/zinc/10/21/71/1134102171.db2.gz YMNVXDGPBDFVJW-IPYPFGDCSA-N 0 3 331.435 3.843 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c([O-])c1 ZINC000788507897 1134134395 /nfs/dbraw/zinc/13/43/95/1134134395.db2.gz SXYILHWSBQJEMQ-OAHLLOKOSA-N 0 3 342.439 3.557 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000788777978 1134174055 /nfs/dbraw/zinc/17/40/55/1134174055.db2.gz QNCMNBORUPPMJP-ZBFHGGJFSA-N 0 3 349.421 3.789 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC(F)(F)F)c1[O-] ZINC000788979885 1134206523 /nfs/dbraw/zinc/20/65/23/1134206523.db2.gz HUVONRWRSTYJOJ-MRVPVSSYSA-N 0 3 342.155 3.650 20 10 EHCDHN COc1ccnc(CN(Cc2ccccc2O)C2CCCC2)c1OC ZINC000789322004 1134255792 /nfs/dbraw/zinc/25/57/92/1134255792.db2.gz CZHFRMHCBGDMCU-UHFFFAOYSA-N 0 3 342.439 3.749 20 10 EHCDHN CC(C)N1CCC[C@@H]([N@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000790288153 1134390207 /nfs/dbraw/zinc/39/02/07/1134390207.db2.gz PHLAYZBLCBVYHZ-GOSISDBHSA-N 0 3 330.472 3.536 20 10 EHCDHN CC(C)N1CCC[C@@H]([N@@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000790288153 1134390213 /nfs/dbraw/zinc/39/02/13/1134390213.db2.gz PHLAYZBLCBVYHZ-GOSISDBHSA-N 0 3 330.472 3.536 20 10 EHCDHN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775175167 1134475621 /nfs/dbraw/zinc/47/56/21/1134475621.db2.gz GKXACJRSRDYMFZ-INIZCTEOSA-N 0 3 342.277 3.590 20 10 EHCDHN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775175167 1134475622 /nfs/dbraw/zinc/47/56/22/1134475622.db2.gz GKXACJRSRDYMFZ-INIZCTEOSA-N 0 3 342.277 3.590 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c1[O-] ZINC000793347080 1134902801 /nfs/dbraw/zinc/90/28/01/1134902801.db2.gz PFKNRVUXRUEVDN-WDEREUQCSA-N 0 3 328.250 3.689 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(CCC2)CO1 ZINC001192012766 1134956122 /nfs/dbraw/zinc/95/61/22/1134956122.db2.gz JYYZYMCCVOLHDP-MOPGFXCFSA-N 0 3 345.483 3.723 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(CCC2)CO1 ZINC001192012766 1134956127 /nfs/dbraw/zinc/95/61/27/1134956127.db2.gz JYYZYMCCVOLHDP-MOPGFXCFSA-N 0 3 345.483 3.723 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@H]2[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000793608020 1134968293 /nfs/dbraw/zinc/96/82/93/1134968293.db2.gz HIVHJARDPBFIJH-DLBZAZTESA-N 0 3 342.405 3.915 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000806138760 1135391326 /nfs/dbraw/zinc/39/13/26/1135391326.db2.gz AZFOKKQCTYGFJL-RCCFBDPRSA-N 0 3 334.891 3.788 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1[O-] ZINC000808685752 1135711395 /nfs/dbraw/zinc/71/13/95/1135711395.db2.gz FMOVYHMROXXKHW-CQSZACIVSA-N 0 3 338.879 3.797 20 10 EHCDHN CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808675602 1135713992 /nfs/dbraw/zinc/71/39/92/1135713992.db2.gz MRLLNOQQTVWANZ-GFCCVEGCSA-N 0 3 332.831 3.564 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000808672806 1135714199 /nfs/dbraw/zinc/71/41/99/1135714199.db2.gz GIWATHOKMSMJEB-QLFBSQMISA-N 0 3 340.895 3.504 20 10 EHCDHN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808679565 1135715898 /nfs/dbraw/zinc/71/58/98/1135715898.db2.gz SWVKLAXLTLYLPN-CQSZACIVSA-N 0 3 346.858 3.743 20 10 EHCDHN CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000808717953 1135720629 /nfs/dbraw/zinc/72/06/29/1135720629.db2.gz IWRXUDOGUZCKFI-CXAGYDPISA-N 0 3 346.858 3.882 20 10 EHCDHN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775832705 1135792826 /nfs/dbraw/zinc/79/28/26/1135792826.db2.gz ANOUBHJYGDBOPY-DLBZAZTESA-N 0 3 333.520 3.734 20 10 EHCDHN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775833644 1135793762 /nfs/dbraw/zinc/79/37/62/1135793762.db2.gz FWPLSPYBKDOSNJ-MRXNPFEDSA-N 0 3 325.456 3.659 20 10 EHCDHN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000776012568 1135919937 /nfs/dbraw/zinc/91/99/37/1135919937.db2.gz HQUDLTAWDZENQT-PBHICJAKSA-N 0 3 342.405 3.686 20 10 EHCDHN CCn1nc(C)c(CNCc2cc(OC)cc(C(C)(C)C)c2O)c1C ZINC000850118427 1136212460 /nfs/dbraw/zinc/21/24/60/1136212460.db2.gz RRWRFBXVCBDWER-UHFFFAOYSA-N 0 3 345.487 3.821 20 10 EHCDHN COc1cc(CN[C@@H](C)c2ccncc2OC)c(O)c(C(C)(C)C)c1 ZINC000850269935 1136228888 /nfs/dbraw/zinc/22/88/88/1136228888.db2.gz VXOMBHMQNDKHBS-ZDUSSCGKSA-N 0 3 344.455 3.953 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)c([O-])c1 ZINC000850395610 1136248532 /nfs/dbraw/zinc/24/85/32/1136248532.db2.gz VGIYXZAUYRAIOG-VQTJNVASSA-N 0 3 329.440 3.639 20 10 EHCDHN OC1CCN(c2ccc(CNCc3cccc(Cl)c3)cc2)CC1 ZINC000850405201 1136250540 /nfs/dbraw/zinc/25/05/40/1136250540.db2.gz JOUJEEXVGHMGTP-UHFFFAOYSA-N 0 3 330.859 3.591 20 10 EHCDHN Cc1cc(C)c([C@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850485479 1136268084 /nfs/dbraw/zinc/26/80/84/1136268084.db2.gz JTYQREFOQVBJRX-NSHDSACASA-N 0 3 325.334 3.669 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)c1ccccc1[O-] ZINC000850579100 1136291820 /nfs/dbraw/zinc/29/18/20/1136291820.db2.gz RTBYGAGKDMDRFK-LPHOPBHVSA-N 0 3 341.451 3.939 20 10 EHCDHN Cc1cc(Br)cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000814170569 1136414966 /nfs/dbraw/zinc/41/49/66/1136414966.db2.gz ZBJQQJJHTWCGIW-GXTWGEPZSA-N 0 3 346.215 3.940 20 10 EHCDHN CC1CCN(c2cccc(NC(=O)c3cccc4c3CNC4)c2)CC1 ZINC000852809355 1136488566 /nfs/dbraw/zinc/48/85/66/1136488566.db2.gz DGTBQNUXSGJGFZ-UHFFFAOYSA-N 0 3 335.451 3.778 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(CCO)CC1 ZINC000815618701 1136619914 /nfs/dbraw/zinc/61/99/14/1136619914.db2.gz RZZHUIRJRVYKCO-LJQANCHMSA-N 0 3 325.452 3.818 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CC=CCC1 ZINC000815621887 1136620399 /nfs/dbraw/zinc/62/03/99/1136620399.db2.gz GMNVKJYFQGWHGR-NRFANRHFSA-N 0 3 336.479 3.918 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000776767497 1136656313 /nfs/dbraw/zinc/65/63/13/1136656313.db2.gz SQBNGDBHHCVKPK-NRFANRHFSA-N 0 3 337.394 3.778 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000776767497 1136656314 /nfs/dbraw/zinc/65/63/14/1136656314.db2.gz SQBNGDBHHCVKPK-NRFANRHFSA-N 0 3 337.394 3.778 20 10 EHCDHN CC(=O)N1CC[C@H](NCc2ccc3c(c2)CCCN3C)c2ccccc21 ZINC000857076005 1136841522 /nfs/dbraw/zinc/84/15/22/1136841522.db2.gz NEEQZUGNKMYFDH-FQEVSTJZSA-N 0 3 349.478 3.657 20 10 EHCDHN CC(C)n1cncc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000818186627 1136864188 /nfs/dbraw/zinc/86/41/88/1136864188.db2.gz MXBXKUJBNYOVFU-UHFFFAOYSA-N 0 3 326.488 3.990 20 10 EHCDHN CN(C)c1cc(F)c(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1F ZINC000858157301 1136945004 /nfs/dbraw/zinc/94/50/04/1136945004.db2.gz XGVGWZPBBFHNGO-FOIQADDNSA-N 0 3 346.421 3.898 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2[O-] ZINC000858453814 1136969601 /nfs/dbraw/zinc/96/96/01/1136969601.db2.gz ZGQDPSPHPJYFRU-LDYMZIIASA-N 0 3 343.324 3.622 20 10 EHCDHN C[C@@H]1C[C@@H](NCc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2O ZINC000858453814 1136969603 /nfs/dbraw/zinc/96/96/03/1136969603.db2.gz ZGQDPSPHPJYFRU-LDYMZIIASA-N 0 3 343.324 3.622 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2[O-] ZINC000858453811 1136969608 /nfs/dbraw/zinc/96/96/08/1136969608.db2.gz ZGQDPSPHPJYFRU-GZMMTYOYSA-N 0 3 343.324 3.622 20 10 EHCDHN C[C@H]1C[C@@H](NCc2c(C(F)(F)F)cnn2C)c2c1c(F)ccc2O ZINC000858453811 1136969611 /nfs/dbraw/zinc/96/96/11/1136969611.db2.gz ZGQDPSPHPJYFRU-GZMMTYOYSA-N 0 3 343.324 3.622 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1[O-] ZINC000858489448 1136972578 /nfs/dbraw/zinc/97/25/78/1136972578.db2.gz CVUHNXWRNLDPRU-YOEHRIQHSA-N 0 3 346.858 3.602 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000772880016 1137135576 /nfs/dbraw/zinc/13/55/76/1137135576.db2.gz SSBNWLRXNUTLNV-MRXNPFEDSA-N 0 3 334.891 3.932 20 10 EHCDHN Cc1cccc(CN2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1O ZINC000862481553 1137146209 /nfs/dbraw/zinc/14/62/09/1137146209.db2.gz IOIVPTUAFTUCTJ-OAQYLSRUSA-N 0 3 337.419 3.701 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824953207 1137159312 /nfs/dbraw/zinc/15/93/12/1137159312.db2.gz IGVLRJODQAOQBJ-SJORKVTESA-N 0 3 332.831 3.759 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1[O-] ZINC000825215787 1137169230 /nfs/dbraw/zinc/16/92/30/1137169230.db2.gz WCIDYQAWYLPITA-MRXNPFEDSA-N 0 3 327.877 3.773 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1[O-] ZINC000825215787 1137169231 /nfs/dbraw/zinc/16/92/31/1137169231.db2.gz WCIDYQAWYLPITA-MRXNPFEDSA-N 0 3 327.877 3.773 20 10 EHCDHN CN(C)c1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000825310772 1137174223 /nfs/dbraw/zinc/17/42/23/1137174223.db2.gz CQGLVDDKJFZHSN-GOSISDBHSA-N 0 3 330.497 3.808 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000794818760 1137266296 /nfs/dbraw/zinc/26/62/96/1137266296.db2.gz YNCQCEXNVIZDGL-VYDXJSESSA-N 0 3 334.460 3.608 20 10 EHCDHN CN(C)c1ccc(/C=C/CN2CCN(C)C[C@@H]2Cc2ccccc2)cc1 ZINC000846066940 1137332601 /nfs/dbraw/zinc/33/26/01/1137332601.db2.gz JPZODFYKXWINLP-KXOMFBTKSA-N 0 3 349.522 3.625 20 10 EHCDHN COc1cccc([C@H](C)NCc2ccnc(C(F)(F)F)c2)c1O ZINC000846168663 1137337621 /nfs/dbraw/zinc/33/76/21/1137337621.db2.gz CBHGHFJEXHRGAX-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN COc1cccc([C@H](C)NCc2cc3c(cc2OC)C[C@@H](C)O3)c1O ZINC000846137749 1137338307 /nfs/dbraw/zinc/33/83/07/1137338307.db2.gz GOTSPRRPHUDVLH-OLZOCXBDSA-N 0 3 343.423 3.584 20 10 EHCDHN CC[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000846180957 1137339772 /nfs/dbraw/zinc/33/97/72/1137339772.db2.gz OQDXSVJMIROBTK-PZJWPPBQSA-N 0 3 325.452 3.618 20 10 EHCDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001144808420 1137351473 /nfs/dbraw/zinc/35/14/73/1137351473.db2.gz VHVAIEQQRDQHFS-MRXNPFEDSA-N 0 3 345.874 3.572 20 10 EHCDHN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000773104880 1137465671 /nfs/dbraw/zinc/46/56/71/1137465671.db2.gz GPXOCEZABCQDLC-ZFWWWQNUSA-N 0 3 330.394 3.641 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715102330 1137475545 /nfs/dbraw/zinc/47/55/45/1137475545.db2.gz CPIIXLRRJYBVLC-LZWOXQAQSA-N 0 3 334.460 3.736 20 10 EHCDHN Cc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c([O-])c1 ZINC000876942849 1137665910 /nfs/dbraw/zinc/66/59/10/1137665910.db2.gz HBTNTRTXJLWDEA-UHFFFAOYSA-N 0 3 328.481 3.544 20 10 EHCDHN Cc1nn2c(C[NH2+][C@@H](C)c3ccccc3[O-])c(C(C)C)nc2s1 ZINC000877757121 1137688309 /nfs/dbraw/zinc/68/83/09/1137688309.db2.gz IAGPRIBVJZNFKX-NSHDSACASA-N 0 3 330.457 3.779 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CC2(CO1)CCOCC2)C1CCCC1 ZINC000878104410 1137702571 /nfs/dbraw/zinc/70/25/71/1137702571.db2.gz VKIHSVCQGNFLMJ-IBGZPJMESA-N 0 3 345.483 3.723 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)C1CCCC1 ZINC000878104410 1137702572 /nfs/dbraw/zinc/70/25/72/1137702572.db2.gz VKIHSVCQGNFLMJ-IBGZPJMESA-N 0 3 345.483 3.723 20 10 EHCDHN CCC[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879648773 1137753655 /nfs/dbraw/zinc/75/36/55/1137753655.db2.gz DBPILAQPBYNFAS-CRAIPNDOSA-N 0 3 326.440 3.700 20 10 EHCDHN CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651831 1137754021 /nfs/dbraw/zinc/75/40/21/1137754021.db2.gz LWKMLHRAKFYRNJ-STQMWFEESA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)CO2)c2c1c(F)ccc2[O-] ZINC000883263068 1137851292 /nfs/dbraw/zinc/85/12/92/1137851292.db2.gz GCNODARFYUGEEI-FMKPAKJESA-N 0 3 349.446 3.645 20 10 EHCDHN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000122276417 1138256543 /nfs/dbraw/zinc/25/65/43/1138256543.db2.gz VNXJAMZJELXUIW-MRXNPFEDSA-N 0 3 337.467 3.627 20 10 EHCDHN COCCOc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000122432750 1138258089 /nfs/dbraw/zinc/25/80/89/1138258089.db2.gz ZYPJFANHZAWPMF-HNNXBMFYSA-N 0 3 346.446 3.768 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)c([O-])c1 ZINC000184988181 1140129593 /nfs/dbraw/zinc/12/95/93/1140129593.db2.gz IWBLAPOXZKLPPD-INIZCTEOSA-N 0 3 338.451 3.674 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1[O-] ZINC000185206819 1140140031 /nfs/dbraw/zinc/14/00/31/1140140031.db2.gz UNWPLACTWNGSSO-WOJBJXKFSA-N 0 3 340.467 3.506 20 10 EHCDHN COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000185312542 1140144394 /nfs/dbraw/zinc/14/43/94/1140144394.db2.gz LJJKPJVGSFQQMX-SJORKVTESA-N 0 3 340.467 3.886 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000189079234 1140320497 /nfs/dbraw/zinc/32/04/97/1140320497.db2.gz GQNKNLNULWGQTB-RTBURBONSA-N 0 3 338.451 3.542 20 10 EHCDHN CCSc1cc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])ccn1 ZINC000190196660 1140392589 /nfs/dbraw/zinc/39/25/89/1140392589.db2.gz BVHOOKOVCLMIRD-UHFFFAOYSA-N 0 3 338.860 3.851 20 10 EHCDHN CCSc1cc(CNCc2cc(Cl)cc(OC)c2O)ccn1 ZINC000190196660 1140392597 /nfs/dbraw/zinc/39/25/97/1140392597.db2.gz BVHOOKOVCLMIRD-UHFFFAOYSA-N 0 3 338.860 3.851 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000268825259 1141001098 /nfs/dbraw/zinc/00/10/98/1141001098.db2.gz KYIROJUXSIEQHO-CQSZACIVSA-N 0 3 334.213 3.768 20 10 EHCDHN CN(C)c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160167177 1014176986 /nfs/dbraw/zinc/17/69/86/1014176986.db2.gz XVWGPPAZCWFQGT-FQEVSTJZSA-N 0 3 340.467 3.639 20 10 EHCDHN CN(C)c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160167177 1014176995 /nfs/dbraw/zinc/17/69/95/1014176995.db2.gz XVWGPPAZCWFQGT-FQEVSTJZSA-N 0 3 340.467 3.639 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCn1ccnc1 ZINC000274868806 1015542687 /nfs/dbraw/zinc/54/26/87/1015542687.db2.gz CUTONSXVSILMTN-HXUWFJFHSA-N 0 3 335.451 3.943 20 10 EHCDHN C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1[O-] ZINC000183598874 1032209912 /nfs/dbraw/zinc/20/99/12/1032209912.db2.gz TUDYPZLNJLKOKS-LBPRGKRZSA-N 0 3 343.814 3.989 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000376863690 1017166058 /nfs/dbraw/zinc/16/60/58/1017166058.db2.gz GMMJLRQKPKKSAX-KGLIPLIRSA-N 0 3 332.394 3.848 20 10 EHCDHN CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000163803964 1018468554 /nfs/dbraw/zinc/46/85/54/1018468554.db2.gz KICHGEYELXLDML-BEFAXECRSA-N 0 3 343.446 3.859 20 10 EHCDHN COc1cc(C)cc(CN[C@H]2CCOc3c(Cl)cccc32)c1O ZINC000894201099 1019130111 /nfs/dbraw/zinc/13/01/11/1019130111.db2.gz VRMNSGSXRTZILW-HNNXBMFYSA-N 0 3 333.815 3.976 20 10 EHCDHN CCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])c1 ZINC000279988627 1019958005 /nfs/dbraw/zinc/95/80/05/1019958005.db2.gz FDQYXZOVXSHKMD-SFHVURJKSA-N 0 3 326.440 3.691 20 10 EHCDHN COc1cc(C)cc(CN[C@H]2CCCOc3c(F)cccc32)c1O ZINC000894420645 1022263947 /nfs/dbraw/zinc/26/39/47/1022263947.db2.gz ORNKXXHDLWCOAZ-INIZCTEOSA-N 0 3 331.387 3.852 20 10 EHCDHN COc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@H]2C)c(O)c1OC ZINC000894706939 1022778267 /nfs/dbraw/zinc/77/82/67/1022778267.db2.gz IWGKLUFUSADKFL-ZYHUDNBSSA-N 0 3 333.350 3.572 20 10 EHCDHN C[C@H]1CCCCN1CCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000048794767 1022840773 /nfs/dbraw/zinc/84/07/73/1022840773.db2.gz RXLIWEUOPCUGNN-ZDUSSCGKSA-N 0 3 341.293 3.509 20 10 EHCDHN CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1[O-] ZINC000897863403 1033213664 /nfs/dbraw/zinc/21/36/64/1033213664.db2.gz ZGCKBFZRWHZZEE-MRXNPFEDSA-N 0 3 325.408 3.893 20 10 EHCDHN CCC[N@H+](CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001167521923 1025001521 /nfs/dbraw/zinc/00/15/21/1025001521.db2.gz NCLYAJOQJVAYTC-UHFFFAOYSA-N 0 3 336.476 3.861 20 10 EHCDHN CCC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001167521923 1025001528 /nfs/dbraw/zinc/00/15/28/1025001528.db2.gz NCLYAJOQJVAYTC-UHFFFAOYSA-N 0 3 336.476 3.861 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1[O-] ZINC000897245727 1026568966 /nfs/dbraw/zinc/56/89/66/1026568966.db2.gz HRHULJRSXGNXPK-CQSZACIVSA-N 0 3 325.836 3.636 20 10 EHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122765818 1028734735 /nfs/dbraw/zinc/73/47/35/1028734735.db2.gz GAJFMBAUWSYFQZ-HRAATJIYSA-N 0 3 341.451 3.807 20 10 EHCDHN CCCCNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000029540603 1028900137 /nfs/dbraw/zinc/90/01/37/1028900137.db2.gz DEFSQVHHECNRDI-UHFFFAOYSA-N 0 3 340.467 3.674 20 10 EHCDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000272209785 1029360149 /nfs/dbraw/zinc/36/01/49/1029360149.db2.gz AEJPAQVOBKRJIX-HXUWFJFHSA-N 0 3 328.431 3.903 20 10 EHCDHN COCc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160180355 1030580503 /nfs/dbraw/zinc/58/05/03/1030580503.db2.gz UJRSHGIPSLCRQK-HXUWFJFHSA-N 0 3 341.451 3.720 20 10 EHCDHN COCc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160180355 1030580513 /nfs/dbraw/zinc/58/05/13/1030580513.db2.gz UJRSHGIPSLCRQK-HXUWFJFHSA-N 0 3 341.451 3.720 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)c2c1c(F)ccc2[O-] ZINC000527960764 1031525690 /nfs/dbraw/zinc/52/56/90/1031525690.db2.gz DXFNNGBJHOLTIY-BZNIZROVSA-N 0 3 325.387 3.756 20 10 EHCDHN CCOc1ccc(O)c(CN[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898178135 1033380437 /nfs/dbraw/zinc/38/04/37/1033380437.db2.gz YKFPSSOJXVBIJD-AWEZNQCLSA-N 0 3 329.444 3.638 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c1[O-] ZINC000761215256 1034579764 /nfs/dbraw/zinc/57/97/64/1034579764.db2.gz HZXVZGFGHWLRCF-HNNXBMFYSA-N 0 3 327.852 3.739 20 10 EHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000066236811 1035310715 /nfs/dbraw/zinc/31/07/15/1035310715.db2.gz QNMMEQYULSVFMW-OAHLLOKOSA-N 0 3 344.430 3.522 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000310049914 1037672905 /nfs/dbraw/zinc/67/29/05/1037672905.db2.gz KVJZBAPSPDVGJO-HUUCEWRRSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1[O-] ZINC000323494279 1038806838 /nfs/dbraw/zinc/80/68/38/1038806838.db2.gz NEBIICKRMYGUAL-UHFFFAOYSA-N 0 3 336.775 3.561 20 10 EHCDHN COc1cc(Cl)cc(CNCc2cccc([N+](=O)[O-])c2C)c1O ZINC000323494279 1038806859 /nfs/dbraw/zinc/80/68/59/1038806859.db2.gz NEBIICKRMYGUAL-UHFFFAOYSA-N 0 3 336.775 3.561 20 10 EHCDHN CC1(C)CN(C(=O)c2cccc3c2CCNC3)c2cccc(Cl)c21 ZINC000662546290 1042782562 /nfs/dbraw/zinc/78/25/62/1042782562.db2.gz IERWYNLTJJJUOW-UHFFFAOYSA-N 0 3 340.854 3.924 20 10 EHCDHN COc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1OC ZINC000893684588 1043873561 /nfs/dbraw/zinc/87/35/61/1043873561.db2.gz DIOQVDPBSWBLDL-JQWIXIFHSA-N 0 3 333.350 3.572 20 10 EHCDHN COc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1OC ZINC000893684591 1043873651 /nfs/dbraw/zinc/87/36/51/1043873651.db2.gz DIOQVDPBSWBLDL-ZYHUDNBSSA-N 0 3 333.350 3.572 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccccc1[O-] ZINC000183533330 1125594894 /nfs/dbraw/zinc/59/48/94/1125594894.db2.gz SAQBCTBLXVGHAG-MRXNPFEDSA-N 0 3 339.483 3.778 20 10 EHCDHN COc1ccc(COCCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185321342 1126866962 /nfs/dbraw/zinc/86/69/62/1126866962.db2.gz ADOIDBYNEZVMKU-INIZCTEOSA-N 0 3 329.440 3.967 20 10 EHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000073005513 1126969084 /nfs/dbraw/zinc/96/90/84/1126969084.db2.gz ZXORKMLBVYONRP-HNNXBMFYSA-N 0 3 347.418 3.890 20 10 EHCDHN COc1cc(OC)cc(OCCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000186100227 1127264258 /nfs/dbraw/zinc/26/42/58/1127264258.db2.gz HCTFDJYPQTXSHU-CYBMUJFWSA-N 0 3 349.402 3.668 20 10 EHCDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC12CCCCC2 ZINC000764954356 1127556949 /nfs/dbraw/zinc/55/69/49/1127556949.db2.gz JQJJHBOWBVQGES-KBXCAEBGSA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC12CCCCC2 ZINC000764954356 1127556951 /nfs/dbraw/zinc/55/69/51/1127556951.db2.gz JQJJHBOWBVQGES-KBXCAEBGSA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000765290149 1127592456 /nfs/dbraw/zinc/59/24/56/1127592456.db2.gz IWSZWTDTFUXADP-BBRMVZONSA-N 0 3 330.394 3.641 20 10 EHCDHN C[C@@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765309601 1127597271 /nfs/dbraw/zinc/59/72/71/1127597271.db2.gz JBMTXRFKYAVNKS-OXQOHEQNSA-N 0 3 339.483 3.623 20 10 EHCDHN COc1ccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)cc1C ZINC000068707222 1124012191 /nfs/dbraw/zinc/01/21/91/1124012191.db2.gz QSIUCTLXLWTPBS-OAHLLOKOSA-N 0 3 340.423 3.811 20 10 EHCDHN CC(C)N(C)CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000181583783 1124958265 /nfs/dbraw/zinc/95/82/65/1124958265.db2.gz QPSXGJFHYUUGCZ-KRWDZBQOSA-N 0 3 340.467 3.822 20 10 EHCDHN C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000186521670 1129393426 /nfs/dbraw/zinc/39/34/26/1129393426.db2.gz DWNUNWVWDGLTHE-ZDUSSCGKSA-N 0 3 325.387 3.783 20 10 EHCDHN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766002803 1129692823 /nfs/dbraw/zinc/69/28/23/1129692823.db2.gz RBSCUBAAWNXFEG-OXJNMPFZSA-N 0 3 337.467 3.599 20 10 EHCDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)c1cc(OC)ccc1O)CCO2 ZINC000186698413 1129756364 /nfs/dbraw/zinc/75/63/64/1129756364.db2.gz UZFVHTJVLFXQJR-FZKQIMNGSA-N 0 3 343.423 3.974 20 10 EHCDHN COc1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1C ZINC000727838697 1130599813 /nfs/dbraw/zinc/59/98/13/1130599813.db2.gz QTQQWNRARXEIJO-KRWDZBQOSA-N 0 3 339.357 3.543 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740858958 1131549023 /nfs/dbraw/zinc/54/90/23/1131549023.db2.gz MSPAYDAZIQZBCS-DFQSSKMNSA-N 0 3 329.484 3.906 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740858958 1131549026 /nfs/dbraw/zinc/54/90/26/1131549026.db2.gz MSPAYDAZIQZBCS-DFQSSKMNSA-N 0 3 329.484 3.906 20 10 EHCDHN C[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073990 1131955944 /nfs/dbraw/zinc/95/59/44/1131955944.db2.gz FUUWAQBNFUKZEP-ZBFHGGJFSA-N 0 3 334.460 3.612 20 10 EHCDHN C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073990 1131955951 /nfs/dbraw/zinc/95/59/51/1131955951.db2.gz FUUWAQBNFUKZEP-ZBFHGGJFSA-N 0 3 334.460 3.612 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000743870234 1131996749 /nfs/dbraw/zinc/99/67/49/1131996749.db2.gz MLXZSCJHIAJSBM-UPTPFMHGSA-N 0 3 332.488 3.688 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000743870234 1131996753 /nfs/dbraw/zinc/99/67/53/1131996753.db2.gz MLXZSCJHIAJSBM-UPTPFMHGSA-N 0 3 332.488 3.688 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169782067 1132856995 /nfs/dbraw/zinc/85/69/95/1132856995.db2.gz JKYGQOBZRRKYRJ-LJQANCHMSA-N 0 3 338.451 3.519 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169782067 1132857003 /nfs/dbraw/zinc/85/70/03/1132857003.db2.gz JKYGQOBZRRKYRJ-LJQANCHMSA-N 0 3 338.451 3.519 20 10 EHCDHN CCN(CC)c1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000768138270 1133101601 /nfs/dbraw/zinc/10/16/01/1133101601.db2.gz SRQXYYMIDMUCOF-UHFFFAOYSA-N 0 3 339.483 3.561 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2c(O)cccc2OC)cc1 ZINC000768209059 1133108658 /nfs/dbraw/zinc/10/86/58/1133108658.db2.gz YIFMGHLCROBWAG-UHFFFAOYSA-N 0 3 328.456 3.879 20 10 EHCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000768209059 1133108662 /nfs/dbraw/zinc/10/86/62/1133108662.db2.gz YIFMGHLCROBWAG-UHFFFAOYSA-N 0 3 328.456 3.879 20 10 EHCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000768209059 1133108667 /nfs/dbraw/zinc/10/86/67/1133108667.db2.gz YIFMGHLCROBWAG-UHFFFAOYSA-N 0 3 328.456 3.879 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000768224330 1133114590 /nfs/dbraw/zinc/11/45/90/1133114590.db2.gz XBZBCRVPFGZPAN-UHFFFAOYSA-N 0 3 341.451 3.951 20 10 EHCDHN C[N@H+](CCc1cccc2ccccc21)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444670 1133139950 /nfs/dbraw/zinc/13/99/50/1133139950.db2.gz NGJUVEMLCSSYSF-OAQYLSRUSA-N 0 3 349.430 3.646 20 10 EHCDHN C[N@@H+](CCc1cccc2ccccc21)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444670 1133139954 /nfs/dbraw/zinc/13/99/54/1133139954.db2.gz NGJUVEMLCSSYSF-OAQYLSRUSA-N 0 3 349.430 3.646 20 10 EHCDHN CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447940 1133140358 /nfs/dbraw/zinc/14/03/58/1133140358.db2.gz RSHOCHWQVMVTPO-QUCCMNQESA-N 0 3 327.424 3.647 20 10 EHCDHN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447940 1133140360 /nfs/dbraw/zinc/14/03/60/1133140360.db2.gz RSHOCHWQVMVTPO-QUCCMNQESA-N 0 3 327.424 3.647 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000768892911 1133198021 /nfs/dbraw/zinc/19/80/21/1133198021.db2.gz UCNQNWAAHOEVDV-INIZCTEOSA-N 0 3 330.451 3.775 20 10 EHCDHN COc1cccc(C2CC[NH+](Cc3c([O-])cccc3OC)CC2)c1 ZINC000769225807 1133246999 /nfs/dbraw/zinc/24/69/99/1133246999.db2.gz QXDGIVRJQOFCLB-UHFFFAOYSA-N 0 3 327.424 3.789 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c([O-])c1 ZINC000769504743 1133304774 /nfs/dbraw/zinc/30/47/74/1133304774.db2.gz YOYXLFVLYLUSCK-GOSISDBHSA-N 0 3 326.440 3.867 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c([O-])c1 ZINC000769504743 1133304777 /nfs/dbraw/zinc/30/47/77/1133304777.db2.gz YOYXLFVLYLUSCK-GOSISDBHSA-N 0 3 326.440 3.867 20 10 EHCDHN [O-]c1cc(F)c(F)cc1CN1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001182160353 1133580934 /nfs/dbraw/zinc/58/09/34/1133580934.db2.gz ITJZINUHAZHRKU-OAHLLOKOSA-N 0 3 330.378 3.655 20 10 EHCDHN [O-]c1cc(F)c(F)cc1CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC001182160353 1133580940 /nfs/dbraw/zinc/58/09/40/1133580940.db2.gz ITJZINUHAZHRKU-OAHLLOKOSA-N 0 3 330.378 3.655 20 10 EHCDHN C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1cc(F)ccc1[O-] ZINC001182335720 1133641821 /nfs/dbraw/zinc/64/18/21/1133641821.db2.gz VETKBIAHVRSTBZ-GFCCVEGCSA-N 0 3 330.378 3.883 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000774483307 1133688054 /nfs/dbraw/zinc/68/80/54/1133688054.db2.gz JOKXVXBFJVSGJP-KGLIPLIRSA-N 0 3 329.419 3.570 20 10 EHCDHN Cc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774485712 1133688630 /nfs/dbraw/zinc/68/86/30/1133688630.db2.gz UTLJGLNNXQLPBI-CVEARBPZSA-N 0 3 325.456 3.739 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785558367 1133721333 /nfs/dbraw/zinc/72/13/33/1133721333.db2.gz GMRMBZHNEJEWTL-HRAATJIYSA-N 0 3 342.483 3.880 20 10 EHCDHN C[C@H]([NH2+]CC1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1[O-] ZINC001183362356 1133793656 /nfs/dbraw/zinc/79/36/56/1133793656.db2.gz AYKHZLNMZDLARR-AWEZNQCLSA-N 0 3 334.460 3.738 20 10 EHCDHN CCOCCOCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787423331 1134001249 /nfs/dbraw/zinc/00/12/49/1134001249.db2.gz JZONZHCMICEYLU-UHFFFAOYSA-N 0 3 329.440 3.544 20 10 EHCDHN CCOCCOCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000787423331 1134001253 /nfs/dbraw/zinc/00/12/53/1134001253.db2.gz JZONZHCMICEYLU-UHFFFAOYSA-N 0 3 329.440 3.544 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c([O-])c1 ZINC000788637984 1134154613 /nfs/dbraw/zinc/15/46/13/1134154613.db2.gz DQZMBSJYPJZFHB-HNNXBMFYSA-N 0 3 334.460 3.669 20 10 EHCDHN C[C@H]1CCSCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000792195673 1134666628 /nfs/dbraw/zinc/66/66/28/1134666628.db2.gz DJNXLUPDNXLYCO-HNNXBMFYSA-N 0 3 349.500 3.913 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353081 1134754073 /nfs/dbraw/zinc/75/40/73/1134754073.db2.gz VLHAWGMLJXMWDO-AWEZNQCLSA-N 0 3 344.411 3.762 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353081 1134754079 /nfs/dbraw/zinc/75/40/79/1134754079.db2.gz VLHAWGMLJXMWDO-AWEZNQCLSA-N 0 3 344.411 3.762 20 10 EHCDHN CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1c(C)cc(C)cc1[O-] ZINC001170421929 1134799954 /nfs/dbraw/zinc/79/99/54/1134799954.db2.gz UAPNDMRGZXBFOX-MRXNPFEDSA-N 0 3 327.424 3.849 20 10 EHCDHN CCCCOc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1OC ZINC000793387552 1134921276 /nfs/dbraw/zinc/92/12/76/1134921276.db2.gz GNZUPOYHIBPCAS-UHFFFAOYSA-N 0 3 345.439 3.878 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000793573634 1134970786 /nfs/dbraw/zinc/97/07/86/1134970786.db2.gz SADMORLOLQMSQK-MOPGFXCFSA-N 0 3 328.456 3.744 20 10 EHCDHN CC[C@@H]([NH2+]CC1(N2CCC(OC)CC2)CCCC1)c1ccccc1[O-] ZINC000775503711 1134973005 /nfs/dbraw/zinc/97/30/05/1134973005.db2.gz MZPNJRCFXWIKPA-LJQANCHMSA-N 0 3 346.515 3.857 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000806175022 1135397722 /nfs/dbraw/zinc/39/77/22/1135397722.db2.gz SEKLAIUVNSCARD-QFYYESIMSA-N 0 3 343.320 3.934 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1[O-] ZINC000808688685 1135711436 /nfs/dbraw/zinc/71/14/36/1135711436.db2.gz UUTGAZRLBPHVQZ-CQSZACIVSA-N 0 3 346.858 3.711 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1[O-] ZINC000808672319 1135713187 /nfs/dbraw/zinc/71/31/87/1135713187.db2.gz JUOIWZWWBYVORZ-GXTWGEPZSA-N 0 3 333.815 3.845 20 10 EHCDHN CO[C@H](CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808716550 1135719762 /nfs/dbraw/zinc/71/97/62/1135719762.db2.gz YUNBEMITNNLLME-BXKDBHETSA-N 0 3 325.758 3.972 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000808697322 1135725172 /nfs/dbraw/zinc/72/51/72/1135725172.db2.gz DDXFJDYIPDHVCO-CYBMUJFWSA-N 0 3 331.843 3.535 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000808699056 1135726045 /nfs/dbraw/zinc/72/60/45/1135726045.db2.gz RETLEECOPISGSD-BDJLRTHQSA-N 0 3 325.861 3.974 20 10 EHCDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775836663 1135796296 /nfs/dbraw/zinc/79/62/96/1135796296.db2.gz OZIKDYBQQOWLOF-ZDUSSCGKSA-N 0 3 330.403 3.529 20 10 EHCDHN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768277 1135880796 /nfs/dbraw/zinc/88/07/96/1135880796.db2.gz GTDKQZHXEQYZIM-GWCFXTLKSA-N 0 3 328.250 3.926 20 10 EHCDHN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768277 1135880799 /nfs/dbraw/zinc/88/07/99/1135880799.db2.gz GTDKQZHXEQYZIM-GWCFXTLKSA-N 0 3 328.250 3.926 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC000809772322 1135881410 /nfs/dbraw/zinc/88/14/10/1135881410.db2.gz SUGYKKWNIIGDKK-HXUWFJFHSA-N 0 3 346.471 3.615 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC000809772322 1135881413 /nfs/dbraw/zinc/88/14/13/1135881413.db2.gz SUGYKKWNIIGDKK-HXUWFJFHSA-N 0 3 346.471 3.615 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@@H]1c1c(C)n[nH]c1C ZINC000809757188 1135887022 /nfs/dbraw/zinc/88/70/22/1135887022.db2.gz LCVJBDJMDLLKBJ-MRXNPFEDSA-N 0 3 329.444 3.858 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@@H]1c1c(C)n[nH]c1C ZINC000809757188 1135887024 /nfs/dbraw/zinc/88/70/24/1135887024.db2.gz LCVJBDJMDLLKBJ-MRXNPFEDSA-N 0 3 329.444 3.858 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809763359 1135888644 /nfs/dbraw/zinc/88/86/44/1135888644.db2.gz NKIAZOWNWVCUHX-UHFFFAOYSA-N 0 3 337.398 3.566 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809763359 1135888648 /nfs/dbraw/zinc/88/86/48/1135888648.db2.gz NKIAZOWNWVCUHX-UHFFFAOYSA-N 0 3 337.398 3.566 20 10 EHCDHN Oc1ccc(F)cc1CN(CCc1ccccn1)Cc1ccncc1 ZINC000809763359 1135888651 /nfs/dbraw/zinc/88/86/51/1135888651.db2.gz NKIAZOWNWVCUHX-UHFFFAOYSA-N 0 3 337.398 3.566 20 10 EHCDHN CCN(Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1cccnc1 ZINC000809763859 1135888736 /nfs/dbraw/zinc/88/87/36/1135888736.db2.gz AMNDZUZVXBUZEE-QGZVFWFLSA-N 0 3 325.456 3.501 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253839 1135948864 /nfs/dbraw/zinc/94/88/64/1135948864.db2.gz DWNRRAZSBIASEQ-WCQYABFASA-N 0 3 339.361 3.732 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810253839 1135948867 /nfs/dbraw/zinc/94/88/67/1135948867.db2.gz DWNRRAZSBIASEQ-WCQYABFASA-N 0 3 339.361 3.732 20 10 EHCDHN CC(C)O[C@@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001201888645 1136070859 /nfs/dbraw/zinc/07/08/59/1136070859.db2.gz JNCKTJFQSFYQDD-DLBZAZTESA-N 0 3 326.431 3.713 20 10 EHCDHN CCSC1(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000850394606 1136248495 /nfs/dbraw/zinc/24/84/95/1136248495.db2.gz WFKFFOKZWIFVAR-UHFFFAOYSA-N 0 3 346.290 3.539 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000850484679 1136267941 /nfs/dbraw/zinc/26/79/41/1136267941.db2.gz NZONALZITZFTIN-IBGZPJMESA-N 0 3 326.440 3.578 20 10 EHCDHN CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000850484248 1136268100 /nfs/dbraw/zinc/26/81/00/1136268100.db2.gz FSHKARCTHXKSDQ-CYBMUJFWSA-N 0 3 346.858 3.841 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cccnc3Cl)C2)cc1 ZINC000850486243 1136268669 /nfs/dbraw/zinc/26/86/69/1136268669.db2.gz BEQZXUMUWZLQPJ-KBPBESRZSA-N 0 3 331.847 3.673 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)c2c1c(F)ccc2[O-] ZINC000850502383 1136272844 /nfs/dbraw/zinc/27/28/44/1136272844.db2.gz VQEIJIJIFCBXRP-XJKSGUPXSA-N 0 3 341.430 3.865 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)COc1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000850522572 1136276326 /nfs/dbraw/zinc/27/63/26/1136276326.db2.gz GLXGCJBKXPHVQX-WDEREUQCSA-N 0 3 325.330 3.928 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1[O-] ZINC000850545884 1136282786 /nfs/dbraw/zinc/28/27/86/1136282786.db2.gz UJFAUBGIBDXXNY-AAEUAGOBSA-N 0 3 342.277 3.522 20 10 EHCDHN C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850572115 1136289571 /nfs/dbraw/zinc/28/95/71/1136289571.db2.gz BFICPDGWKBZZPJ-GQGSAGHOSA-N 0 3 329.415 3.834 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1ccccc1[O-] ZINC000850579102 1136291929 /nfs/dbraw/zinc/29/19/29/1136291929.db2.gz RTBYGAGKDMDRFK-VQIMIIECSA-N 0 3 341.451 3.939 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000850580293 1136292286 /nfs/dbraw/zinc/29/22/86/1136292286.db2.gz JYHATWINWVBBAF-NVXWUHKLSA-N 0 3 339.357 3.892 20 10 EHCDHN COc1ccc(Br)cc1CN(C)Cc1ccccc1O ZINC000109773478 1136339695 /nfs/dbraw/zinc/33/96/95/1136339695.db2.gz PEWOUPOMHXQYGT-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN Cc1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815022404 1136538691 /nfs/dbraw/zinc/53/86/91/1136538691.db2.gz XZBVMWFZQURHSW-QGZVFWFLSA-N 0 3 347.503 3.550 20 10 EHCDHN COC(=O)[C@H](C)[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815073247 1136547114 /nfs/dbraw/zinc/54/71/14/1136547114.db2.gz YVQRDDFAETUANL-OXQOHEQNSA-N 0 3 340.467 3.701 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000815596033 1136616510 /nfs/dbraw/zinc/61/65/10/1136616510.db2.gz IOKSVEFMHMHIJX-WIYYLYMNSA-N 0 3 347.462 3.936 20 10 EHCDHN Cc1ccc(O)c(CNCc2ccccc2OCC(F)(F)F)c1 ZINC000113325867 1136697292 /nfs/dbraw/zinc/69/72/92/1136697292.db2.gz GNOJIYCDEFGMJL-UHFFFAOYSA-N 0 3 325.330 3.932 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000818342381 1136872624 /nfs/dbraw/zinc/87/26/24/1136872624.db2.gz QAHJWQCAQOBVLR-DLBZAZTESA-N 0 3 340.467 3.886 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000858449523 1136968826 /nfs/dbraw/zinc/96/88/26/1136968826.db2.gz NPFFNPWBGONYEW-DZGCQCFKSA-N 0 3 327.350 3.741 20 10 EHCDHN C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1ccccc1O ZINC000827978242 1136980416 /nfs/dbraw/zinc/98/04/16/1136980416.db2.gz LVLHAQCMJYTXIH-ZDUSSCGKSA-N 0 3 338.407 3.691 20 10 EHCDHN CC(C)N(CCc1nccs1)Cc1cc(F)c(N(C)C)cc1F ZINC000862249826 1137135163 /nfs/dbraw/zinc/13/51/63/1137135163.db2.gz DLZIAYYFQASVLL-UHFFFAOYSA-N 0 3 339.455 3.940 20 10 EHCDHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635554 1137145465 /nfs/dbraw/zinc/14/54/65/1137145465.db2.gz HRCPPVZOVJYNEF-QUCCMNQESA-N 0 3 341.451 3.564 20 10 EHCDHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635554 1137145466 /nfs/dbraw/zinc/14/54/66/1137145466.db2.gz HRCPPVZOVJYNEF-QUCCMNQESA-N 0 3 341.451 3.564 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473540 1137145810 /nfs/dbraw/zinc/14/58/10/1137145810.db2.gz VAYCCIOUGMVVKJ-KGLIPLIRSA-N 0 3 342.302 3.933 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473540 1137145812 /nfs/dbraw/zinc/14/58/12/1137145812.db2.gz VAYCCIOUGMVVKJ-KGLIPLIRSA-N 0 3 342.302 3.933 20 10 EHCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000862478796 1137145871 /nfs/dbraw/zinc/14/58/71/1137145871.db2.gz QSWXGXMHPQCEEA-WBVHZDCISA-N 0 3 348.487 3.826 20 10 EHCDHN Cc1ccc(O)c(CN2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 ZINC000862482890 1137146425 /nfs/dbraw/zinc/14/64/25/1137146425.db2.gz YVUKPMFMSVCGOD-OAQYLSRUSA-N 0 3 337.419 3.701 20 10 EHCDHN CO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1(C)C ZINC000824820821 1137153726 /nfs/dbraw/zinc/15/37/26/1137153726.db2.gz OBZQEEFZTLLYHL-CQSZACIVSA-N 0 3 342.277 3.710 20 10 EHCDHN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1(C)C ZINC000824820821 1137153728 /nfs/dbraw/zinc/15/37/28/1137153728.db2.gz OBZQEEFZTLLYHL-CQSZACIVSA-N 0 3 342.277 3.710 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824953198 1137159302 /nfs/dbraw/zinc/15/93/02/1137159302.db2.gz IGVLRJODQAOQBJ-DLBZAZTESA-N 0 3 332.831 3.759 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)c2c1 ZINC000794646868 1137220876 /nfs/dbraw/zinc/22/08/76/1137220876.db2.gz KMPLKRATGSDYNA-RNODOKPDSA-N 0 3 327.424 3.553 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)c2c1 ZINC000794646868 1137220877 /nfs/dbraw/zinc/22/08/77/1137220877.db2.gz KMPLKRATGSDYNA-RNODOKPDSA-N 0 3 327.424 3.553 20 10 EHCDHN CCc1cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665806 1137222504 /nfs/dbraw/zinc/22/25/04/1137222504.db2.gz VZYGJTRGPGMEFP-YCRPNKLZSA-N 0 3 347.499 3.632 20 10 EHCDHN CN(Cc1n[nH]c2ccc(F)cc21)Cc1ccc(N2CCCC2)cc1 ZINC001144199666 1137250544 /nfs/dbraw/zinc/25/05/44/1137250544.db2.gz QDNOCUZTCSDXCJ-UHFFFAOYSA-N 0 3 338.430 3.934 20 10 EHCDHN CC[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794796239 1137250884 /nfs/dbraw/zinc/25/08/84/1137250884.db2.gz WNWLILIIORKIMQ-BQFCYCMXSA-N 0 3 334.504 3.629 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794805352 1137253537 /nfs/dbraw/zinc/25/35/37/1137253537.db2.gz GMJKETUUTFKKNK-MOPGFXCFSA-N 0 3 338.451 3.937 20 10 EHCDHN CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1[O-] ZINC000794810163 1137259603 /nfs/dbraw/zinc/25/96/03/1137259603.db2.gz JQLDDFKEMXTUDA-KRWDZBQOSA-N 0 3 330.384 3.729 20 10 EHCDHN CC[C@@H]([NH2+]CCOc1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000794816347 1137263473 /nfs/dbraw/zinc/26/34/73/1137263473.db2.gz MXJFMQGZNXMWBH-LJQANCHMSA-N 0 3 345.439 3.838 20 10 EHCDHN Cc1cc(O)c(CN[C@H](CO)c2cccc(C(F)(F)F)c2)cc1C ZINC000865656427 1137302141 /nfs/dbraw/zinc/30/21/41/1137302141.db2.gz NMFARECZTSCDDR-MRXNPFEDSA-N 0 3 339.357 3.851 20 10 EHCDHN COc1cc(F)c(CNCCCSc2nccs2)cc1OC ZINC000845939612 1137321370 /nfs/dbraw/zinc/32/13/70/1137321370.db2.gz RGAFNTXOHWFWKG-UHFFFAOYSA-N 0 3 342.461 3.571 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000845973298 1137322554 /nfs/dbraw/zinc/32/25/54/1137322554.db2.gz YMXXCRWFLKQHNT-JTQLQIEISA-N 0 3 336.775 3.813 20 10 EHCDHN C[C@H](O)[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1F ZINC000846181682 1137340107 /nfs/dbraw/zinc/34/01/07/1137340107.db2.gz DCKJPKWBOCPQBC-PDMXGENHSA-N 0 3 333.378 3.930 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000866535965 1137362631 /nfs/dbraw/zinc/36/26/31/1137362631.db2.gz JPTNVSNPUHIQLO-GJZGRUSLSA-N 0 3 347.480 3.558 20 10 EHCDHN COc1ccc(OC)c([C@H](C)NCc2ccc(N(C)C)cc2C)c1 ZINC000122668396 1137458211 /nfs/dbraw/zinc/45/82/11/1137458211.db2.gz KCOVUDJEPWCTEH-HNNXBMFYSA-N 0 3 328.456 3.929 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000872122192 1137572735 /nfs/dbraw/zinc/57/27/35/1137572735.db2.gz CTKIXZHJUWIDOD-ZDUSSCGKSA-N 0 3 325.412 3.840 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000876717771 1137659542 /nfs/dbraw/zinc/65/95/42/1137659542.db2.gz HLIBMKUTOIMBSL-HXUWFJFHSA-N 0 3 329.415 3.785 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000876946868 1137666065 /nfs/dbraw/zinc/66/60/65/1137666065.db2.gz WYRDUSIZTSKSHP-UHFFFAOYSA-N 0 3 328.431 3.594 20 10 EHCDHN COc1ccc(CC[NH2+]Cc2ccc(C)cc2[O-])cc1OC(F)F ZINC000876996269 1137667285 /nfs/dbraw/zinc/66/72/85/1137667285.db2.gz QGEURKURCVJZIX-UHFFFAOYSA-N 0 3 337.366 3.643 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c([O-])c1 ZINC000877565462 1137681347 /nfs/dbraw/zinc/68/13/47/1137681347.db2.gz ZWGUIIKBGMLSGO-UHFFFAOYSA-N 0 3 326.444 3.552 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c([O-])c1 ZINC000877565462 1137681348 /nfs/dbraw/zinc/68/13/48/1137681348.db2.gz ZWGUIIKBGMLSGO-UHFFFAOYSA-N 0 3 326.444 3.552 20 10 EHCDHN C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccccc1[O-] ZINC000877757189 1137688400 /nfs/dbraw/zinc/68/84/00/1137688400.db2.gz MLWOSKPMTCUQJM-ZDUSSCGKSA-N 0 3 332.394 3.990 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000877778153 1137689374 /nfs/dbraw/zinc/68/93/74/1137689374.db2.gz KPFPQJJLEWCORU-IBGZPJMESA-N 0 3 349.434 3.792 20 10 EHCDHN CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647814 1137753507 /nfs/dbraw/zinc/75/35/07/1137753507.db2.gz MHCAFCFHMPGDFL-CJNGLKHVSA-N 0 3 344.480 3.640 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879647698 1137753536 /nfs/dbraw/zinc/75/35/36/1137753536.db2.gz INHWCJCBRZWWJN-QWHCGFSZSA-N 0 3 332.831 3.574 20 10 EHCDHN CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879650055 1137753819 /nfs/dbraw/zinc/75/38/19/1137753819.db2.gz ZFXKTSCVDXZMDB-OLZOCXBDSA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879651899 1137754033 /nfs/dbraw/zinc/75/40/33/1137754033.db2.gz OKHRDZXKAJRRIG-RDBSUJKOSA-N 0 3 346.858 3.962 20 10 EHCDHN CCCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccccc1O ZINC000130720684 1137841193 /nfs/dbraw/zinc/84/11/93/1137841193.db2.gz UHWMLXGPWIBBNP-HNNXBMFYSA-N 0 3 344.430 3.621 20 10 EHCDHN CN(Cc1cccc(C(=O)N2CCCCC2)c1)Cc1ccccc1O ZINC000109770454 1137897357 /nfs/dbraw/zinc/89/73/57/1137897357.db2.gz TZJHDLNCSKRCJT-UHFFFAOYSA-N 0 3 338.451 3.650 20 10 EHCDHN Cc1noc(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000091833900 1138222012 /nfs/dbraw/zinc/22/20/12/1138222012.db2.gz XSSDTKOQNFHONJ-UHFFFAOYSA-N 0 3 340.471 3.748 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000301750571 1138635480 /nfs/dbraw/zinc/63/54/80/1138635480.db2.gz BKZUFDDTAZQULY-CABCVRRESA-N 0 3 334.460 3.832 20 10 EHCDHN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(N2CCOCC2)cc1 ZINC000152233943 1139080475 /nfs/dbraw/zinc/08/04/75/1139080475.db2.gz ZDMMFKNDJNOOOQ-HNAYVOBHSA-N 0 3 326.440 3.844 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(Cl)cc3c2OCC3)c1 ZINC000182413963 1139970971 /nfs/dbraw/zinc/97/09/71/1139970971.db2.gz LSYHRAQHTXAPNX-NSHDSACASA-N 0 3 333.815 3.840 20 10 EHCDHN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183426596 1140037854 /nfs/dbraw/zinc/03/78/54/1140037854.db2.gz KAERLBNNDLWGSF-GJZGRUSLSA-N 0 3 326.440 3.771 20 10 EHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000185451194 1140150704 /nfs/dbraw/zinc/15/07/04/1140150704.db2.gz GNCCAYSTBJQBSL-NEPJUHHUSA-N 0 3 349.402 3.969 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000186137061 1140188126 /nfs/dbraw/zinc/18/81/26/1140188126.db2.gz XHGGYDWNLWHOID-LJQANCHMSA-N 0 3 338.451 3.738 20 10 EHCDHN COCCCOc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000186154541 1140189791 /nfs/dbraw/zinc/18/97/91/1140189791.db2.gz RADXQRLUXUTQIS-MRXNPFEDSA-N 0 3 329.440 3.967 20 10 EHCDHN Cc1cccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000268869704 1141013889 /nfs/dbraw/zinc/01/38/89/1141013889.db2.gz UUYWKYQBBCOGRA-MRXNPFEDSA-N 0 3 342.458 3.946 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1F ZINC000271224780 1141329031 /nfs/dbraw/zinc/32/90/31/1141329031.db2.gz ACKRIICHIPLTGF-YJBOKZPZSA-N 0 3 332.419 3.573 20 10 EHCDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183533919 1032178639 /nfs/dbraw/zinc/17/86/39/1032178639.db2.gz OLURQTIGKWTVSW-HNSVSWJLSA-N 0 3 346.471 3.973 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000183315771 1032190991 /nfs/dbraw/zinc/19/09/91/1032190991.db2.gz HTBKDEBTXSJGJU-MOPGFXCFSA-N 0 3 338.451 3.624 20 10 EHCDHN C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1[O-] ZINC000183606150 1032211320 /nfs/dbraw/zinc/21/13/20/1032211320.db2.gz XDLYTQPNHXGSQP-LBPRGKRZSA-N 0 3 343.814 3.989 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000091958733 1032746573 /nfs/dbraw/zinc/74/65/73/1032746573.db2.gz OCMHJFSYIQEWHQ-LPHOPBHVSA-N 0 3 345.439 3.862 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([O-])c1 ZINC000091958733 1032746579 /nfs/dbraw/zinc/74/65/79/1032746579.db2.gz OCMHJFSYIQEWHQ-LPHOPBHVSA-N 0 3 345.439 3.862 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000280293758 1020262115 /nfs/dbraw/zinc/26/21/15/1020262115.db2.gz ZJRZYVQCTBWSAB-RTBURBONSA-N 0 3 338.451 3.542 20 10 EHCDHN CC[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccccc1[O-] ZINC000156536641 1022743620 /nfs/dbraw/zinc/74/36/20/1022743620.db2.gz BBARDELQIJKDQD-LJQANCHMSA-N 0 3 338.451 3.756 20 10 EHCDHN CC1CCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000020557468 1024139841 /nfs/dbraw/zinc/13/98/41/1024139841.db2.gz AFADSEDAZNRSAF-UHFFFAOYSA-N 0 3 331.287 3.911 20 10 EHCDHN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305092610 1027797591 /nfs/dbraw/zinc/79/75/91/1027797591.db2.gz YKWWWMDEODAENZ-KBXCAEBGSA-N 0 3 332.419 3.793 20 10 EHCDHN Cc1cc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)o1 ZINC000278215806 1029698906 /nfs/dbraw/zinc/69/89/06/1029698906.db2.gz IIDPUOVSXQIDCA-INIZCTEOSA-N 0 3 342.483 3.956 20 10 EHCDHN Cc1cccc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000093453352 1030612257 /nfs/dbraw/zinc/61/22/57/1030612257.db2.gz YPERELLDHXDBBB-OAQYLSRUSA-N 0 3 337.467 3.564 20 10 EHCDHN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128842006 1031354367 /nfs/dbraw/zinc/35/43/67/1031354367.db2.gz IYFCIRHAAYUKGO-HNNXBMFYSA-N 0 3 346.421 3.994 20 10 EHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898181344 1033382039 /nfs/dbraw/zinc/38/20/39/1033382039.db2.gz FPEKCTJRZKZXQC-ZIAGYGMSSA-N 0 3 329.444 3.809 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310081873 1034256150 /nfs/dbraw/zinc/25/61/50/1034256150.db2.gz YJFDUPFCWVMGGO-HOCLYGCPSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1[O-] ZINC000761201908 1034422086 /nfs/dbraw/zinc/42/20/86/1034422086.db2.gz IMXJOCOJTSVKFK-UKRRQHHQSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1[O-] ZINC000761201908 1034422094 /nfs/dbraw/zinc/42/20/94/1034422094.db2.gz IMXJOCOJTSVKFK-UKRRQHHQSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(CN2CCS[C@@H]3CCCC[C@H]32)c1O ZINC000761201908 1034422105 /nfs/dbraw/zinc/42/21/05/1034422105.db2.gz IMXJOCOJTSVKFK-UKRRQHHQSA-N 0 3 327.877 3.914 20 10 EHCDHN O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-])Nc1ccccc1 ZINC000179559149 1034491324 /nfs/dbraw/zinc/49/13/24/1034491324.db2.gz MJLATSQBTRPCBK-SFHVURJKSA-N 0 3 339.439 3.568 20 10 EHCDHN O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-])Nc1ccccc1 ZINC000179559149 1034491332 /nfs/dbraw/zinc/49/13/32/1034491332.db2.gz MJLATSQBTRPCBK-SFHVURJKSA-N 0 3 339.439 3.568 20 10 EHCDHN COc1ccc(CN[C@@H]2CCSc3c(F)cccc32)c(O)c1OC ZINC000892507897 1035138392 /nfs/dbraw/zinc/13/83/92/1035138392.db2.gz DMTGKEIVSQYFSY-CQSZACIVSA-N 0 3 349.427 3.875 20 10 EHCDHN Oc1cc(Cl)cc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000892613213 1036658455 /nfs/dbraw/zinc/65/84/55/1036658455.db2.gz SGGCJTZIXDMKIT-UHFFFAOYSA-N 0 3 348.899 3.889 20 10 EHCDHN CCOC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000188865873 1040099049 /nfs/dbraw/zinc/09/90/49/1040099049.db2.gz WIVRUPCZVCQESV-UHFFFAOYSA-N 0 3 329.440 3.876 20 10 EHCDHN COc1ccccc1SC[C@H](C)C[NH2+]Cc1c([O-])cccc1OC ZINC000728781848 1040443451 /nfs/dbraw/zinc/44/34/51/1040443451.db2.gz DACWOJJSXDTKDL-CQSZACIVSA-N 0 3 347.480 3.927 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cc(F)ccc1[O-] ZINC000185094111 1126757187 /nfs/dbraw/zinc/75/71/87/1126757187.db2.gz ZVNSMRHOQFBKPH-AWEZNQCLSA-N 0 3 325.387 3.627 20 10 EHCDHN COc1ccc([C@@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3[O-])CCO2)cc1 ZINC001168593783 1128205670 /nfs/dbraw/zinc/20/56/70/1128205670.db2.gz FANKXVSGAONJMY-NBQZKYEYSA-N 0 3 327.424 3.972 20 10 EHCDHN COC(=O)c1ccc(C[N@H+](C)Cc2c([O-])ccc3ccccc32)cc1 ZINC000914782984 1120984286 /nfs/dbraw/zinc/98/42/86/1120984286.db2.gz YUGNOMBTXHEOKX-UHFFFAOYSA-N 0 3 335.403 3.964 20 10 EHCDHN COC(=O)c1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)cc1 ZINC000914782984 1120984291 /nfs/dbraw/zinc/98/42/91/1120984291.db2.gz YUGNOMBTXHEOKX-UHFFFAOYSA-N 0 3 335.403 3.964 20 10 EHCDHN CCc1cc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000762182060 1121158249 /nfs/dbraw/zinc/15/82/49/1121158249.db2.gz BAKVWDDNFQYNSX-QGZVFWFLSA-N 0 3 345.405 3.751 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000763455825 1123612142 /nfs/dbraw/zinc/61/21/42/1123612142.db2.gz VYDPMTVZRWQNLQ-MJGOQNOKSA-N 0 3 349.833 3.749 20 10 EHCDHN CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180820980 1124082746 /nfs/dbraw/zinc/08/27/46/1124082746.db2.gz MZVAVGTUEUYXGM-UHFFFAOYSA-N 0 3 331.387 3.776 20 10 EHCDHN COC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183066639 1125434819 /nfs/dbraw/zinc/43/48/19/1125434819.db2.gz VXIXKMDWFZEVAM-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN COC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183066639 1125434821 /nfs/dbraw/zinc/43/48/21/1125434821.db2.gz VXIXKMDWFZEVAM-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCS[C@H](C)C2)c1[O-] ZINC000922840830 1129685123 /nfs/dbraw/zinc/68/51/23/1129685123.db2.gz BCIJIVMAYOQLIG-SKDRFNHKSA-N 0 3 346.290 3.537 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000700641869 1130053607 /nfs/dbraw/zinc/05/36/07/1130053607.db2.gz SIEDOIINHYBFPI-WMLDXEAASA-N 0 3 346.421 3.671 20 10 EHCDHN O=C1CCCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000730107540 1130673506 /nfs/dbraw/zinc/67/35/06/1130673506.db2.gz KWQNYNNOHZGOKQ-UHFFFAOYSA-N 0 3 338.451 3.551 20 10 EHCDHN O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])NC1CCCCC1 ZINC000732230935 1130903233 /nfs/dbraw/zinc/90/32/33/1130903233.db2.gz XDAWTCFSWPEINC-UHFFFAOYSA-N 0 3 338.451 3.598 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000733335024 1131028064 /nfs/dbraw/zinc/02/80/64/1131028064.db2.gz ZIPSAUBPJHIPER-KRWDZBQOSA-N 0 3 348.849 3.939 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H]2CCCc3c2cnn3C)cc1F ZINC001177226397 1133042975 /nfs/dbraw/zinc/04/29/75/1133042975.db2.gz QNURPWQJZKWUTG-KRWDZBQOSA-N 0 3 330.451 3.573 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CC1CCCCC1)[C@@H](O)CO2 ZINC000768443599 1133139110 /nfs/dbraw/zinc/13/91/10/1133139110.db2.gz HKQRYUDVXJZZKN-APWZRJJASA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CC1CCCCC1)[C@@H](O)CO2 ZINC000768443599 1133139112 /nfs/dbraw/zinc/13/91/12/1133139112.db2.gz HKQRYUDVXJZZKN-APWZRJJASA-N 0 3 331.456 3.753 20 10 EHCDHN CC(C)(C)[C@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768440239 1133139218 /nfs/dbraw/zinc/13/92/18/1133139218.db2.gz UQAKUMTZGZVNBT-PKOBYXMFSA-N 0 3 327.424 3.695 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccccc1)CC1CCC1)[C@H](O)CO2 ZINC000768443186 1133139489 /nfs/dbraw/zinc/13/94/89/1133139489.db2.gz QYPALGIYXNRBPB-HXUWFJFHSA-N 0 3 339.435 3.620 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccccc1)CC1CCC1)[C@H](O)CO2 ZINC000768443186 1133139492 /nfs/dbraw/zinc/13/94/92/1133139492.db2.gz QYPALGIYXNRBPB-HXUWFJFHSA-N 0 3 339.435 3.620 20 10 EHCDHN CC[N@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442540 1133139625 /nfs/dbraw/zinc/13/96/25/1133139625.db2.gz LKNWWVVNBPTPON-OAQYLSRUSA-N 0 3 349.430 3.993 20 10 EHCDHN CC[N@@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442540 1133139629 /nfs/dbraw/zinc/13/96/29/1133139629.db2.gz LKNWWVVNBPTPON-OAQYLSRUSA-N 0 3 349.430 3.993 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1[O-] ZINC000768524209 1133149442 /nfs/dbraw/zinc/14/94/42/1133149442.db2.gz METAHEFARHTPMU-HUUCEWRRSA-N 0 3 327.852 3.736 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)c([O-])c1 ZINC000768542475 1133153883 /nfs/dbraw/zinc/15/38/83/1133153883.db2.gz VXEUXXVSVKQBBF-QGZVFWFLSA-N 0 3 331.412 3.867 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)c([O-])c1 ZINC000768542475 1133153886 /nfs/dbraw/zinc/15/38/86/1133153886.db2.gz VXEUXXVSVKQBBF-QGZVFWFLSA-N 0 3 331.412 3.867 20 10 EHCDHN CCOc1ccc(CN2CCC[C@@H]2c2ccc(COC)o2)c(O)c1 ZINC000768542475 1133153891 /nfs/dbraw/zinc/15/38/91/1133153891.db2.gz VXEUXXVSVKQBBF-QGZVFWFLSA-N 0 3 331.412 3.867 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCc1ccccc1F)C[C@@H]1CCCO1 ZINC000768663063 1133167976 /nfs/dbraw/zinc/16/79/76/1133167976.db2.gz HTQRIALVDOPRIB-SFHVURJKSA-N 0 3 329.415 3.755 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccc1F)C[C@@H]1CCCO1 ZINC000768663063 1133167978 /nfs/dbraw/zinc/16/79/78/1133167978.db2.gz HTQRIALVDOPRIB-SFHVURJKSA-N 0 3 329.415 3.755 20 10 EHCDHN CNC(=O)[C@@H]1CCCN1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000768906213 1133201333 /nfs/dbraw/zinc/20/13/33/1133201333.db2.gz NGMYCGDOQLQITE-KRWDZBQOSA-N 0 3 346.515 3.698 20 10 EHCDHN CCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000769027856 1133215090 /nfs/dbraw/zinc/21/50/90/1133215090.db2.gz BBGHCTYHUMRRBH-QGZVFWFLSA-N 0 3 347.459 3.586 20 10 EHCDHN CCN(CC)c1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000769101976 1133232510 /nfs/dbraw/zinc/23/25/10/1133232510.db2.gz KHHRZCULAIFGLQ-UHFFFAOYSA-N 0 3 344.528 3.702 20 10 EHCDHN CCCN(Cc1cc(C)ccc1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000769210463 1133245268 /nfs/dbraw/zinc/24/52/68/1133245268.db2.gz GRXWXCGIRYLJFX-MRXNPFEDSA-N 0 3 326.440 3.940 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000769301104 1133255551 /nfs/dbraw/zinc/25/55/51/1133255551.db2.gz JFNHUZBEBKICHQ-UHFFFAOYSA-N 0 3 339.435 3.644 20 10 EHCDHN COc1cc(Br)cc(CN2CCC(C)(C)CC2)c1O ZINC000769307222 1133258016 /nfs/dbraw/zinc/25/80/16/1133258016.db2.gz FOARXYANTHJNHG-UHFFFAOYSA-N 0 3 328.250 3.785 20 10 EHCDHN C[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000770510908 1133435561 /nfs/dbraw/zinc/43/55/61/1133435561.db2.gz VBLHOEWXTNKORN-GOEBONIOSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000770510908 1133435564 /nfs/dbraw/zinc/43/55/64/1133435564.db2.gz VBLHOEWXTNKORN-GOEBONIOSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000774481015 1133687363 /nfs/dbraw/zinc/68/73/63/1133687363.db2.gz GZDLBUYPPBYHLL-QOSLBHJFSA-N 0 3 345.531 3.733 20 10 EHCDHN Cc1nc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000774483961 1133688172 /nfs/dbraw/zinc/68/81/72/1133688172.db2.gz QPDUNUDBIKYWCF-CHWSQXEVSA-N 0 3 346.500 3.504 20 10 EHCDHN Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c([O-])cc1Br ZINC001250120662 1133838037 /nfs/dbraw/zinc/83/80/37/1133838037.db2.gz LVTFYPVBTDESDE-INIZCTEOSA-N 0 3 340.261 3.608 20 10 EHCDHN Cc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)c([O-])cc1Br ZINC001250120662 1133838042 /nfs/dbraw/zinc/83/80/42/1133838042.db2.gz LVTFYPVBTDESDE-INIZCTEOSA-N 0 3 340.261 3.608 20 10 EHCDHN Cc1cc(CN2CC[C@]3(C2)CCCCO3)c(O)cc1Br ZINC001250120662 1133838046 /nfs/dbraw/zinc/83/80/46/1133838046.db2.gz LVTFYPVBTDESDE-INIZCTEOSA-N 0 3 340.261 3.608 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000788777972 1134174912 /nfs/dbraw/zinc/17/49/12/1134174912.db2.gz QNCMNBORUPPMJP-HOCLYGCPSA-N 0 3 349.421 3.789 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1[O-] ZINC000789865688 1134342752 /nfs/dbraw/zinc/34/27/52/1134342752.db2.gz FGQCZYCEGUWBOH-WAYWQWQTSA-N 0 3 340.851 3.525 20 10 EHCDHN C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790537069 1134427509 /nfs/dbraw/zinc/42/75/09/1134427509.db2.gz ASYSLVKHNLNKGJ-AWEZNQCLSA-N 0 3 340.423 3.725 20 10 EHCDHN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790537069 1134427512 /nfs/dbraw/zinc/42/75/12/1134427512.db2.gz ASYSLVKHNLNKGJ-AWEZNQCLSA-N 0 3 340.423 3.725 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000790935531 1134479608 /nfs/dbraw/zinc/47/96/08/1134479608.db2.gz YJMCBUOVVDDDNH-WFASDCNBSA-N 0 3 342.277 3.589 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000790935531 1134479611 /nfs/dbraw/zinc/47/96/11/1134479611.db2.gz YJMCBUOVVDDDNH-WFASDCNBSA-N 0 3 342.277 3.589 20 10 EHCDHN C[C@H](NCc1cnn(-c2ccc(F)cc2)c1)c1ccc(N(C)C)cc1 ZINC000775366014 1134670113 /nfs/dbraw/zinc/67/01/13/1134670113.db2.gz YQYYNHBBHPUMHY-HNNXBMFYSA-N 0 3 338.430 3.928 20 10 EHCDHN CN(C)c1ccc(CN(C)C[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000792791190 1134790355 /nfs/dbraw/zinc/79/03/55/1134790355.db2.gz FDVNDTQRJVBXHJ-OAHLLOKOSA-N 0 3 330.394 3.772 20 10 EHCDHN CC1(C)CCC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC001192014980 1134955984 /nfs/dbraw/zinc/95/59/84/1134955984.db2.gz XUKUOTIOYNTUQH-ROUUACIJSA-N 0 3 333.472 3.721 20 10 EHCDHN CC1(C)CCC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC001192014980 1134955991 /nfs/dbraw/zinc/95/59/91/1134955991.db2.gz XUKUOTIOYNTUQH-ROUUACIJSA-N 0 3 333.472 3.721 20 10 EHCDHN CC1(C)CCC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC001192014978 1134956325 /nfs/dbraw/zinc/95/63/25/1134956325.db2.gz XUKUOTIOYNTUQH-MSOLQXFVSA-N 0 3 333.472 3.721 20 10 EHCDHN CC1(C)CCC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC001192014978 1134956327 /nfs/dbraw/zinc/95/63/27/1134956327.db2.gz XUKUOTIOYNTUQH-MSOLQXFVSA-N 0 3 333.472 3.721 20 10 EHCDHN CC[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000775512193 1134982984 /nfs/dbraw/zinc/98/29/84/1134982984.db2.gz NIZZOACRLXRTCF-LJQANCHMSA-N 0 3 346.515 3.716 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000806138758 1135391243 /nfs/dbraw/zinc/39/12/43/1135391243.db2.gz AZFOKKQCTYGFJL-KSZLIROESA-N 0 3 334.891 3.788 20 10 EHCDHN COc1ccc(O)c(CN2CCSC[C@@H]2c2ccc(C)cc2)c1 ZINC000775701578 1135540194 /nfs/dbraw/zinc/54/01/94/1135540194.db2.gz SYPFBDLNKYIRRS-GOSISDBHSA-N 0 3 329.465 3.999 20 10 EHCDHN CCOc1ccc(CN[C@H](COC)c2cccc(Cl)c2)c(O)c1 ZINC000808455267 1135670542 /nfs/dbraw/zinc/67/05/42/1135670542.db2.gz YTYGLNFFUIZMKU-QGZVFWFLSA-N 0 3 335.831 3.922 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](COC)c2cccc(Cl)c2)c([O-])c1 ZINC000808455267 1135670545 /nfs/dbraw/zinc/67/05/45/1135670545.db2.gz YTYGLNFFUIZMKU-QGZVFWFLSA-N 0 3 335.831 3.922 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000808710478 1135718590 /nfs/dbraw/zinc/71/85/90/1135718590.db2.gz RJELRXUKYBPILI-WBMJQRKESA-N 0 3 337.822 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000808717943 1135720752 /nfs/dbraw/zinc/72/07/52/1135720752.db2.gz IQDBHVQKMAKLDU-RYUDHWBXSA-N 0 3 342.867 3.918 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1[O-] ZINC000808701367 1135726651 /nfs/dbraw/zinc/72/66/51/1135726651.db2.gz VRNYEMHWWXNOPB-ZDUSSCGKSA-N 0 3 338.879 3.796 20 10 EHCDHN CN(Cc1ccc(C[NH+](C)C)cc1)Cc1c([O-])ccc(Cl)c1F ZINC000809738964 1135883313 /nfs/dbraw/zinc/88/33/13/1135883313.db2.gz RHCRGSSNTPTWHH-UHFFFAOYSA-N 0 3 336.838 3.878 20 10 EHCDHN CCN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1cccnc1 ZINC000809763857 1135888924 /nfs/dbraw/zinc/88/89/24/1135888924.db2.gz AMNDZUZVXBUZEE-KRWDZBQOSA-N 0 3 325.456 3.501 20 10 EHCDHN C[C@H]1C[C@H](C)C[NH+](CCCNCc2cc(Cl)cc(F)c2[O-])C1 ZINC001199328691 1135898105 /nfs/dbraw/zinc/89/81/05/1135898105.db2.gz DLCXVKQQNNPRBD-STQMWFEESA-N 0 3 328.859 3.642 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C1CCOCC1 ZINC000776232540 1136087114 /nfs/dbraw/zinc/08/71/14/1136087114.db2.gz PKSLNQDSKJNFGB-HNNXBMFYSA-N 0 3 342.277 3.758 20 10 EHCDHN COc1cccc(C2(C[NH2+]Cc3cc(Cl)cc(OC)c3[O-])CC2)c1 ZINC000811510069 1136102097 /nfs/dbraw/zinc/10/20/97/1136102097.db2.gz SQVXHGZVTRXIHD-UHFFFAOYSA-N 0 3 347.842 3.884 20 10 EHCDHN Oc1cc2c(cc1CN1CC[C@H](n3cc(Cl)cn3)C1)CCCC2 ZINC000811801501 1136138199 /nfs/dbraw/zinc/13/81/99/1136138199.db2.gz NBTHICCPEHRBFJ-KRWDZBQOSA-N 0 3 331.847 3.568 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](n4cc(C)cn4)C3)c2c1 ZINC000811799903 1136138221 /nfs/dbraw/zinc/13/82/21/1136138221.db2.gz DHMMBIVHOCQXAG-MRXNPFEDSA-N 0 3 337.423 3.506 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](n4cc(C)cn4)C3)c2c1 ZINC000811799903 1136138223 /nfs/dbraw/zinc/13/82/23/1136138223.db2.gz DHMMBIVHOCQXAG-MRXNPFEDSA-N 0 3 337.423 3.506 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776293809 1136145086 /nfs/dbraw/zinc/14/50/86/1136145086.db2.gz OASFSYWRZXCMGB-IBGZPJMESA-N 0 3 333.431 3.989 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776293809 1136145088 /nfs/dbraw/zinc/14/50/88/1136145088.db2.gz OASFSYWRZXCMGB-IBGZPJMESA-N 0 3 333.431 3.989 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)c2c1c(F)ccc2[O-] ZINC000812735481 1136239217 /nfs/dbraw/zinc/23/92/17/1136239217.db2.gz SKUZKFATSZUTPU-ABAIWWIYSA-N 0 3 325.387 3.756 20 10 EHCDHN C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000850355153 1136239917 /nfs/dbraw/zinc/23/99/17/1136239917.db2.gz HBDHYUWFMRWTFW-IMWIBFENSA-N 0 3 343.492 3.839 20 10 EHCDHN COC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850514763 1136275169 /nfs/dbraw/zinc/27/51/69/1136275169.db2.gz QHOUQHCIRGXUQP-QRWLVFNGSA-N 0 3 328.456 3.800 20 10 EHCDHN C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000850522570 1136276269 /nfs/dbraw/zinc/27/62/69/1136276269.db2.gz GLXGCJBKXPHVQX-MNOVXSKESA-N 0 3 325.330 3.928 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CCC(O)CC2)c1[O-] ZINC000850557212 1136285509 /nfs/dbraw/zinc/28/55/09/1136285509.db2.gz UZUJDKQFWBTYSZ-LKSINWNRSA-N 0 3 342.277 3.665 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)nc1 ZINC000850566691 1136287607 /nfs/dbraw/zinc/28/76/07/1136287607.db2.gz QWQOSJNQAADSTI-AWEZNQCLSA-N 0 3 345.874 3.547 20 10 EHCDHN COC[C@@H](C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000851880079 1136415299 /nfs/dbraw/zinc/41/52/99/1136415299.db2.gz SVUAQRJGZMHTKP-VQIMIIECSA-N 0 3 329.440 3.617 20 10 EHCDHN COC[C@@H](C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000851880079 1136415303 /nfs/dbraw/zinc/41/53/03/1136415303.db2.gz SVUAQRJGZMHTKP-VQIMIIECSA-N 0 3 329.440 3.617 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000815048218 1136540088 /nfs/dbraw/zinc/54/00/88/1136540088.db2.gz MXXNPVKVDXYWMQ-FQEVSTJZSA-N 0 3 343.442 3.880 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000815048218 1136540091 /nfs/dbraw/zinc/54/00/91/1136540091.db2.gz MXXNPVKVDXYWMQ-FQEVSTJZSA-N 0 3 343.442 3.880 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c([O-])c1 ZINC000815627664 1136621198 /nfs/dbraw/zinc/62/11/98/1136621198.db2.gz GGOBCYNQBDPFAO-MDKPJZGXSA-N 0 3 325.452 3.826 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000815627701 1136621330 /nfs/dbraw/zinc/62/13/30/1136621330.db2.gz HDQDLHFRYJAHCW-PKOBYXMFSA-N 0 3 347.462 3.936 20 10 EHCDHN CN1CCN(Cc2cc(Br)ccc2O)c2ccccc2C1 ZINC000816617512 1136741481 /nfs/dbraw/zinc/74/14/81/1136741481.db2.gz BORYOFYUBZYJLM-UHFFFAOYSA-N 0 3 347.256 3.607 20 10 EHCDHN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816660566 1136746016 /nfs/dbraw/zinc/74/60/16/1136746016.db2.gz ISXROSPCYRFFNB-KKSFZXQISA-N 0 3 341.451 3.612 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954119 1136851263 /nfs/dbraw/zinc/85/12/63/1136851263.db2.gz BUWMECSOZWRWSM-HOTGVXAUSA-N 0 3 349.272 3.895 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@H]3CCc4ccc(Cl)nc43)C2)cc1 ZINC000857914993 1136921977 /nfs/dbraw/zinc/92/19/77/1136921977.db2.gz SDXOVTUUVXXHFG-PBHICJAKSA-N 0 3 343.858 3.599 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1C ZINC000858452909 1136968945 /nfs/dbraw/zinc/96/89/45/1136968945.db2.gz PJLDYGNXKQUTRJ-LLVKDONJSA-N 0 3 327.350 3.612 20 10 EHCDHN Cc1cnccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000823855378 1137116776 /nfs/dbraw/zinc/11/67/76/1137116776.db2.gz QJOIWTBGPIGXFC-SFHVURJKSA-N 0 3 345.874 3.503 20 10 EHCDHN CN(Cc1cccs1)c1ccc(CNC2(CF)CCOCC2)cc1 ZINC000824690384 1137148466 /nfs/dbraw/zinc/14/84/66/1137148466.db2.gz CISNIIVZMCJEIC-UHFFFAOYSA-N 0 3 348.487 3.993 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540362 1137148955 /nfs/dbraw/zinc/14/89/55/1137148955.db2.gz DCZJLLROGPNLOW-ZDUSSCGKSA-N 0 3 333.815 3.749 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1[O-] ZINC000862540362 1137148957 /nfs/dbraw/zinc/14/89/57/1137148957.db2.gz DCZJLLROGPNLOW-ZDUSSCGKSA-N 0 3 333.815 3.749 20 10 EHCDHN CCc1cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665803 1137222606 /nfs/dbraw/zinc/22/26/06/1137222606.db2.gz VZYGJTRGPGMEFP-QVKFZJNVSA-N 0 3 347.499 3.632 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(C)cc1[O-] ZINC000794793575 1137252321 /nfs/dbraw/zinc/25/23/21/1137252321.db2.gz CROPWXQDRNDTFV-IBGZPJMESA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1ccc(C)cc1[O-] ZINC000794803386 1137255282 /nfs/dbraw/zinc/25/52/82/1137255282.db2.gz QTHNHEZBZVMILD-MJGOQNOKSA-N 0 3 343.467 3.798 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1ccc(C)cc1[O-] ZINC000794803380 1137255337 /nfs/dbraw/zinc/25/53/37/1137255337.db2.gz QTHNHEZBZVMILD-IEBWSBKVSA-N 0 3 343.467 3.798 20 10 EHCDHN CCOc1ccc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)c([O-])c1 ZINC000844904735 1137261176 /nfs/dbraw/zinc/26/11/76/1137261176.db2.gz PGEMHVNMIWFBDQ-KRWDZBQOSA-N 0 3 326.440 3.698 20 10 EHCDHN CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1ccccc1[O-] ZINC000120385238 1137262665 /nfs/dbraw/zinc/26/26/65/1137262665.db2.gz MTZCYRCXUMEAFP-UHFFFAOYSA-N 0 3 340.345 3.753 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000794817075 1137265215 /nfs/dbraw/zinc/26/52/15/1137265215.db2.gz OTNZSICSIBXGCE-OALUTQOASA-N 0 3 338.451 3.855 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000865834479 1137315257 /nfs/dbraw/zinc/31/52/57/1137315257.db2.gz NNVBZYWVCDBUMT-USXIJHARSA-N 0 3 330.225 3.583 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@H](O)C(F)F ZINC000866442506 1137355296 /nfs/dbraw/zinc/35/52/96/1137355296.db2.gz NJOTZFFYUGKWEE-WMZOPIPTSA-N 0 3 335.394 3.672 20 10 EHCDHN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000772982266 1137410396 /nfs/dbraw/zinc/41/03/96/1137410396.db2.gz UZWKLQAATSADRG-QGZVFWFLSA-N 0 3 343.515 3.776 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000773069360 1137463280 /nfs/dbraw/zinc/46/32/80/1137463280.db2.gz SNJOBAQJIPWTKA-UZLBHIALSA-N 0 3 343.515 3.727 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc([N+](=O)[O-])cc1 ZINC000122952578 1137477463 /nfs/dbraw/zinc/47/74/63/1137477463.db2.gz OBCSQBHQQJVFGZ-CQSZACIVSA-N 0 3 325.412 3.828 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H](CCO)c2ccccc2)cc1F ZINC000124446468 1137595217 /nfs/dbraw/zinc/59/52/17/1137595217.db2.gz JDUFGPRDFGWYAZ-LJQANCHMSA-N 0 3 330.447 3.885 20 10 EHCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccc(Cl)c1 ZINC000876537729 1137654847 /nfs/dbraw/zinc/65/48/47/1137654847.db2.gz AMOAZRATUKQPAI-UHFFFAOYSA-N 0 3 344.886 3.933 20 10 EHCDHN Cc1ccc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000876614973 1137656993 /nfs/dbraw/zinc/65/69/93/1137656993.db2.gz XVSUHRFFQSTQFM-UHFFFAOYSA-N 0 3 334.460 3.532 20 10 EHCDHN Cc1ccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000876614973 1137656994 /nfs/dbraw/zinc/65/69/94/1137656994.db2.gz XVSUHRFFQSTQFM-UHFFFAOYSA-N 0 3 334.460 3.532 20 10 EHCDHN Cc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(O)c1 ZINC000877484256 1137677823 /nfs/dbraw/zinc/67/78/23/1137677823.db2.gz ZRDHAACBWJLTMY-UHFFFAOYSA-N 0 3 340.301 3.917 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCSCCC(F)(F)F)c1[O-] ZINC000877730709 1137687063 /nfs/dbraw/zinc/68/70/63/1137687063.db2.gz FWKDGEJNAQRNAA-UHFFFAOYSA-N 0 3 343.798 3.829 20 10 EHCDHN C[C@@H](NCc1c(Cl)cccc1N1CCOCC1)c1ccccc1O ZINC000877755429 1137688124 /nfs/dbraw/zinc/68/81/24/1137688124.db2.gz AXSHPUCMKSYPFB-CQSZACIVSA-N 0 3 346.858 3.733 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1[O-] ZINC000877814011 1137690920 /nfs/dbraw/zinc/69/09/20/1137690920.db2.gz MNUCUJJLVORQNS-LLVKDONJSA-N 0 3 338.860 3.809 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c1[O-] ZINC000877814011 1137690921 /nfs/dbraw/zinc/69/09/21/1137690921.db2.gz MNUCUJJLVORQNS-LLVKDONJSA-N 0 3 338.860 3.809 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCC2(CCOCC2)O1)C1CCCC1 ZINC000878103701 1137702341 /nfs/dbraw/zinc/70/23/41/1137702341.db2.gz MNMVCRCHIPNNJB-IBGZPJMESA-N 0 3 345.483 3.865 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)C1CCCC1 ZINC000878103701 1137702342 /nfs/dbraw/zinc/70/23/42/1137702342.db2.gz MNMVCRCHIPNNJB-IBGZPJMESA-N 0 3 345.483 3.865 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC2(CCOCC2)CO1 ZINC000878151369 1137704591 /nfs/dbraw/zinc/70/45/91/1137704591.db2.gz PQZNRYKJQXJUON-GOSISDBHSA-N 0 3 333.472 3.580 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC2(CCOCC2)CO1 ZINC000878151369 1137704592 /nfs/dbraw/zinc/70/45/92/1137704592.db2.gz PQZNRYKJQXJUON-GOSISDBHSA-N 0 3 333.472 3.580 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000879007751 1137735052 /nfs/dbraw/zinc/73/50/52/1137735052.db2.gz GXLWARNHXZEVAP-HXUWFJFHSA-N 0 3 339.483 3.531 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000879653913 1137753909 /nfs/dbraw/zinc/75/39/09/1137753909.db2.gz XVSLESVDPPYFQU-WCJKSNMJSA-N 0 3 342.483 3.516 20 10 EHCDHN Cc1cc(C)c([C@H](C)NCc2ccnc(-c3ccccn3)n2)c(O)c1 ZINC000883294449 1137853285 /nfs/dbraw/zinc/85/32/85/1137853285.db2.gz YXXYINGRQCYBAT-HNNXBMFYSA-N 0 3 334.423 3.712 20 10 EHCDHN COc1cccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1O ZINC000120540610 1137950654 /nfs/dbraw/zinc/95/06/54/1137950654.db2.gz ANJAJSDKSYYTRO-HNNXBMFYSA-N 0 3 333.453 3.644 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000886711527 1138122382 /nfs/dbraw/zinc/12/23/82/1138122382.db2.gz XPMHQGVCJOQKDQ-SJORKVTESA-N 0 3 333.472 3.717 20 10 EHCDHN CCCOc1ccc(C[NH+]2CCC(c3cnn(CC)c3)CC2)c([O-])c1 ZINC000092809319 1138232180 /nfs/dbraw/zinc/23/21/80/1138232180.db2.gz IYSCGXFREFCYNK-UHFFFAOYSA-N 0 3 343.471 3.777 20 10 EHCDHN CN1CC[C@H](C[NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136207453 1138790955 /nfs/dbraw/zinc/79/09/55/1138790955.db2.gz ZLPQVRYTKGPXFK-BEFAXECRSA-N 0 3 348.849 3.967 20 10 EHCDHN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151111752 1139008837 /nfs/dbraw/zinc/00/88/37/1139008837.db2.gz DXUHQEBPNRJDMR-HNNXBMFYSA-N 0 3 326.488 3.878 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179575543 1139766250 /nfs/dbraw/zinc/76/62/50/1139766250.db2.gz DMLWOFYAPIJWCQ-CABCVRRESA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179575543 1139766255 /nfs/dbraw/zinc/76/62/55/1139766255.db2.gz DMLWOFYAPIJWCQ-CABCVRRESA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ccccc1[O-] ZINC000183724652 1140054540 /nfs/dbraw/zinc/05/45/40/1140054540.db2.gz AHUZAHDVCVBEQH-MRXNPFEDSA-N 0 3 327.424 3.957 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c([O-])c1 ZINC000186039212 1140183857 /nfs/dbraw/zinc/18/38/57/1140183857.db2.gz RLQSAAMWGZJECC-ZDUSSCGKSA-N 0 3 327.403 3.620 20 10 EHCDHN COCCCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000186154672 1140189547 /nfs/dbraw/zinc/18/95/47/1140189547.db2.gz XBOPYBNEBOYBJX-AWEZNQCLSA-N 0 3 333.403 3.797 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCCCCO)c1[O-] ZINC000187421191 1140255180 /nfs/dbraw/zinc/25/51/80/1140255180.db2.gz HHFIZEFOBFCMHI-LBPRGKRZSA-N 0 3 330.266 3.666 20 10 EHCDHN C[C@@H](OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618395 1141127659 /nfs/dbraw/zinc/12/76/59/1141127659.db2.gz HIMVCSPJNHIHHR-KDOFPFPSSA-N 0 3 349.858 3.616 20 10 EHCDHN C[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618395 1141127661 /nfs/dbraw/zinc/12/76/61/1141127661.db2.gz HIMVCSPJNHIHHR-KDOFPFPSSA-N 0 3 349.858 3.616 20 10 EHCDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccncc1 ZINC000271050826 1141300917 /nfs/dbraw/zinc/30/09/17/1141300917.db2.gz AJMVJQOJOABRAO-XHSDSOJGSA-N 0 3 343.446 3.685 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c([O-])c1 ZINC000283159234 1141564391 /nfs/dbraw/zinc/56/43/91/1141564391.db2.gz YCDNDRQWYBIVGD-OAHLLOKOSA-N 0 3 329.444 3.592 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c([O-])c1 ZINC000283159234 1141564394 /nfs/dbraw/zinc/56/43/94/1141564394.db2.gz YCDNDRQWYBIVGD-OAHLLOKOSA-N 0 3 329.444 3.592 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183431003 1032169765 /nfs/dbraw/zinc/16/97/65/1032169765.db2.gz MCSIBTNCMKQKFO-OAHLLOKOSA-N 0 3 328.431 3.847 20 10 EHCDHN CCC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)Cc1ccccc1[O-] ZINC000089123418 1032259170 /nfs/dbraw/zinc/25/91/70/1032259170.db2.gz RLPKVOSTDNENHJ-UHFFFAOYSA-N 0 3 331.387 3.730 20 10 EHCDHN CCC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)Cc1ccccc1[O-] ZINC000089123418 1032259178 /nfs/dbraw/zinc/25/91/78/1032259178.db2.gz RLPKVOSTDNENHJ-UHFFFAOYSA-N 0 3 331.387 3.730 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(NC(C)=O)c2)cc1 ZINC000155436582 1017375397 /nfs/dbraw/zinc/37/53/97/1017375397.db2.gz AMQMTAJBNKRKCJ-HNNXBMFYSA-N 0 3 325.456 3.952 20 10 EHCDHN COc1cc(C)cc(CNCc2ccccc2OC(F)(F)F)c1O ZINC000894156396 1018737885 /nfs/dbraw/zinc/73/78/85/1018737885.db2.gz KWIOPCDRGGTWEW-UHFFFAOYSA-N 0 3 341.329 3.898 20 10 EHCDHN CCCC(=O)Nc1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894184669 1019091646 /nfs/dbraw/zinc/09/16/46/1019091646.db2.gz BUASRKGTXDFAGN-UHFFFAOYSA-N 0 3 342.439 3.738 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccccc1[O-] ZINC000155867829 1020088232 /nfs/dbraw/zinc/08/82/32/1020088232.db2.gz AVGJIPCTGGSYBS-ICSRJNTNSA-N 0 3 329.440 3.954 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(C)cc1[O-] ZINC000375643925 1022376714 /nfs/dbraw/zinc/37/67/14/1022376714.db2.gz LVQRNMGHVNPAQN-WMLDXEAASA-N 0 3 329.419 3.554 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)c([O-])c1 ZINC000894635005 1022647691 /nfs/dbraw/zinc/64/76/91/1022647691.db2.gz GKENVIDAEVCCMI-UHFFFAOYSA-N 0 3 349.452 3.707 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000897749192 1033148403 /nfs/dbraw/zinc/14/84/03/1033148403.db2.gz XYOZAPQMKPZCTJ-AGUYFDCRSA-N 0 3 342.302 3.979 20 10 EHCDHN CC1=NO[C@@H](CNCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000895299911 1024246578 /nfs/dbraw/zinc/24/65/78/1024246578.db2.gz IJRCWFCALPDOGC-QGZVFWFLSA-N 0 3 329.469 3.639 20 10 EHCDHN COc1cc(C)cc(CNCc2ccc(OC(F)F)cc2F)c1O ZINC000895456977 1024521208 /nfs/dbraw/zinc/52/12/08/1024521208.db2.gz BIJWDUODEJAUIL-UHFFFAOYSA-N 0 3 341.329 3.740 20 10 EHCDHN COc1ccc(CNCc2ccsc2C(F)(F)F)c(O)c1OC ZINC000895692507 1024726947 /nfs/dbraw/zinc/72/69/47/1024726947.db2.gz XFHGOMVCDJPLQN-UHFFFAOYSA-N 0 3 347.358 3.780 20 10 EHCDHN CCOc1cccc(CN2CCC(Oc3cc(C)ccn3)CC2)c1O ZINC000272933536 1027185131 /nfs/dbraw/zinc/18/51/31/1027185131.db2.gz KTSCSWVUYBFLBW-UHFFFAOYSA-N 0 3 342.439 3.538 20 10 EHCDHN CCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000273298392 1027365630 /nfs/dbraw/zinc/36/56/30/1027365630.db2.gz ASMVEILKWJPZEM-HXUWFJFHSA-N 0 3 325.456 3.549 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c([O-])c1 ZINC000897299363 1027405029 /nfs/dbraw/zinc/40/50/29/1027405029.db2.gz ZVDYCZMRZYPPRX-AWEZNQCLSA-N 0 3 332.469 3.620 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c([O-])c1 ZINC000897299363 1027405035 /nfs/dbraw/zinc/40/50/35/1027405035.db2.gz ZVDYCZMRZYPPRX-AWEZNQCLSA-N 0 3 332.469 3.620 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000273585267 1027506349 /nfs/dbraw/zinc/50/63/49/1027506349.db2.gz NSJZSEMCDUVUFY-AWEZNQCLSA-N 0 3 334.460 3.751 20 10 EHCDHN COc1cc(O)c(CN(C)Cc2cc3ccccc3o2)cc1OC ZINC000160343068 1030685339 /nfs/dbraw/zinc/68/53/39/1030685339.db2.gz RABROTGIQUFKQM-UHFFFAOYSA-N 0 3 327.380 3.788 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000528017161 1031633752 /nfs/dbraw/zinc/63/37/52/1031633752.db2.gz WKEIBVUMKWJWSO-ZDUSSCGKSA-N 0 3 338.879 3.653 20 10 EHCDHN C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1cc(F)ccc1[O-] ZINC000310050879 1034204810 /nfs/dbraw/zinc/20/48/10/1034204810.db2.gz AJJFFCDLWZNQHR-LBPRGKRZSA-N 0 3 338.423 3.581 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000761201226 1034405075 /nfs/dbraw/zinc/40/50/75/1034405075.db2.gz FFPOAQMQAFNXHH-MRXNPFEDSA-N 0 3 335.831 3.610 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000761201226 1034405085 /nfs/dbraw/zinc/40/50/85/1034405085.db2.gz FFPOAQMQAFNXHH-MRXNPFEDSA-N 0 3 335.831 3.610 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000182349425 1038585884 /nfs/dbraw/zinc/58/58/84/1038585884.db2.gz XGAFTCQWWBEUSY-CQSZACIVSA-N 0 3 342.439 3.814 20 10 EHCDHN CCCN(Cc1ccccc1O)Cc1ccc(F)cc1C(=O)OC ZINC000728927010 1039499648 /nfs/dbraw/zinc/49/96/48/1039499648.db2.gz GCAXDOYISYXDKU-UHFFFAOYSA-N 0 3 331.387 3.730 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c([O-])c1 ZINC000253351177 1041424763 /nfs/dbraw/zinc/42/47/63/1041424763.db2.gz HQIOCZWYNPZFSW-FIKGOQFSSA-N 0 3 327.468 3.981 20 10 EHCDHN COCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000167629664 1043321086 /nfs/dbraw/zinc/32/10/86/1043321086.db2.gz RWFXYUNWFVQICR-KRWDZBQOSA-N 0 3 342.483 3.937 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000279824128 1044702137 /nfs/dbraw/zinc/70/21/37/1044702137.db2.gz APZWLOJVARORLM-MRXNPFEDSA-N 0 3 329.465 3.814 20 10 EHCDHN CN(C)c1ccc(CN(C)Cc2cn(C)nc2-c2cccs2)cc1 ZINC000183376250 1125542309 /nfs/dbraw/zinc/54/23/09/1125542309.db2.gz QYOSFAPFDSCGON-UHFFFAOYSA-N 0 3 340.496 3.847 20 10 EHCDHN C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000184968209 1126723917 /nfs/dbraw/zinc/72/39/17/1126723917.db2.gz VTMFCOCQQUBOOC-CQSZACIVSA-N 0 3 325.387 3.610 20 10 EHCDHN C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000185326882 1126870296 /nfs/dbraw/zinc/87/02/96/1126870296.db2.gz CRVBFAYMRYVHMV-ZBEGNZNMSA-N 0 3 343.320 3.632 20 10 EHCDHN COc1ccc(N2CCN(c3ccnc4cc(OC)ccc43)CC2)cc1 ZINC000765449473 1127612582 /nfs/dbraw/zinc/61/25/82/1127612582.db2.gz LETINABFYYRWOW-UHFFFAOYSA-N 0 3 349.434 3.579 20 10 EHCDHN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCCO3)cc1OC ZINC000921560716 1127751975 /nfs/dbraw/zinc/75/19/75/1127751975.db2.gz JFBLBPWSWFQSHL-CQSZACIVSA-N 0 3 327.424 3.880 20 10 EHCDHN Cc1nc(C)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000172798002 1128958210 /nfs/dbraw/zinc/95/82/10/1128958210.db2.gz KPDGPPXCKIFBJK-MRXNPFEDSA-N 0 3 332.469 3.647 20 10 EHCDHN CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762646713 1121397044 /nfs/dbraw/zinc/39/70/44/1121397044.db2.gz BHFWFJPHAQUYIR-PBHICJAKSA-N 0 3 340.895 3.587 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000920257401 1123344987 /nfs/dbraw/zinc/34/49/87/1123344987.db2.gz SWYNUNRFCJUNRG-LJQANCHMSA-N 0 3 338.451 3.861 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000134229814 1123505594 /nfs/dbraw/zinc/50/55/94/1123505594.db2.gz CJZFEXYOGSEDOO-CQSZACIVSA-N 0 3 334.213 3.768 20 10 EHCDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(OC)ccc1O)CCO2 ZINC000186698428 1129756117 /nfs/dbraw/zinc/75/61/17/1129756117.db2.gz UZFVHTJVLFXQJR-ACJLOTCBSA-N 0 3 343.423 3.974 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000700641871 1130053887 /nfs/dbraw/zinc/05/38/87/1130053887.db2.gz SIEDOIINHYBFPI-YOEHRIQHSA-N 0 3 346.421 3.671 20 10 EHCDHN CCOc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)c([O-])c1 ZINC000766101757 1130295656 /nfs/dbraw/zinc/29/56/56/1130295656.db2.gz BRGFIMQCNKZYFV-UHFFFAOYSA-N 0 3 327.424 3.628 20 10 EHCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C(C)C)CC1 ZINC000727805952 1130596857 /nfs/dbraw/zinc/59/68/57/1130596857.db2.gz GJVISDCZSPFTFO-UHFFFAOYSA-N 0 3 345.512 3.712 20 10 EHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCc1cccs1 ZINC000731848415 1130849232 /nfs/dbraw/zinc/84/92/32/1130849232.db2.gz XXSXVRVKNUQFTO-UHFFFAOYSA-N 0 3 344.480 3.515 20 10 EHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCc1cccs1 ZINC000731848415 1130849237 /nfs/dbraw/zinc/84/92/37/1130849237.db2.gz XXSXVRVKNUQFTO-UHFFFAOYSA-N 0 3 344.480 3.515 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cc1ccccc1)C1CCCC1 ZINC000732204972 1130900603 /nfs/dbraw/zinc/90/06/03/1130900603.db2.gz WNPVRECVQJONAE-HXUWFJFHSA-N 0 3 325.452 3.740 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cc1ccccc1)C1CCCC1 ZINC000732204972 1130900607 /nfs/dbraw/zinc/90/06/07/1130900607.db2.gz WNPVRECVQJONAE-HXUWFJFHSA-N 0 3 325.452 3.740 20 10 EHCDHN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1OC ZINC000378881665 1131166737 /nfs/dbraw/zinc/16/67/37/1131166737.db2.gz HIECYKIKKIHVSK-HXUWFJFHSA-N 0 3 340.467 3.773 20 10 EHCDHN COc1cccc2c1C[C@@H]([NH2+]Cc1cc3ccccc3cc1[O-])CO2 ZINC001173165059 1131979044 /nfs/dbraw/zinc/97/90/44/1131979044.db2.gz RKPSQFVTKBLZST-QGZVFWFLSA-N 0 3 335.403 3.647 20 10 EHCDHN CC[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766610441 1132673731 /nfs/dbraw/zinc/67/37/31/1132673731.db2.gz VORQRYVOOATHII-UXHICEINSA-N 0 3 337.467 3.599 20 10 EHCDHN CC[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000766607642 1132685522 /nfs/dbraw/zinc/68/55/22/1132685522.db2.gz HWPKUSRQWKKSKI-MRXNPFEDSA-N 0 3 340.393 3.752 20 10 EHCDHN CN1CCC=C(Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)C1 ZINC001175582311 1132704486 /nfs/dbraw/zinc/70/44/86/1132704486.db2.gz LPINRJXVVVBRDI-UHFFFAOYSA-N 0 3 337.427 3.544 20 10 EHCDHN C[N@H+](CCCNCc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC001177066447 1133027610 /nfs/dbraw/zinc/02/76/10/1133027610.db2.gz ZTRWTZCACNURMT-UHFFFAOYSA-N 0 3 328.859 3.929 20 10 EHCDHN C[N@@H+](CCCNCc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC001177066447 1133027616 /nfs/dbraw/zinc/02/76/16/1133027616.db2.gz ZTRWTZCACNURMT-UHFFFAOYSA-N 0 3 328.859 3.929 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(OC)c(O)c2)cc1 ZINC000768207402 1133107423 /nfs/dbraw/zinc/10/74/23/1133107423.db2.gz HTLJIEBAKDSRDX-UHFFFAOYSA-N 0 3 328.456 3.879 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000769191838 1133234250 /nfs/dbraw/zinc/23/42/50/1133234250.db2.gz HSRUHEOYNNVVDO-UHFFFAOYSA-N 0 3 333.472 3.962 20 10 EHCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC001179193961 1133237311 /nfs/dbraw/zinc/23/73/11/1133237311.db2.gz ONVFZFKHLWIXDB-LBPRGKRZSA-N 0 3 326.843 3.681 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000773812620 1133241055 /nfs/dbraw/zinc/24/10/55/1133241055.db2.gz RNGDFMQTRDOSBE-NPMXOYFQSA-N 0 3 330.497 3.731 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000769314096 1133259809 /nfs/dbraw/zinc/25/98/09/1133259809.db2.gz DFFKGVLAPYRCBM-FQEVSTJZSA-N 0 3 327.424 3.755 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000769314096 1133259813 /nfs/dbraw/zinc/25/98/13/1133259813.db2.gz DFFKGVLAPYRCBM-FQEVSTJZSA-N 0 3 327.424 3.755 20 10 EHCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000769417963 1133280516 /nfs/dbraw/zinc/28/05/16/1133280516.db2.gz YENNPJJWIBNLBT-NQBHXWOUSA-N 0 3 338.423 3.582 20 10 EHCDHN CC(C)c1ccc(O)c(CN2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC001180076879 1133325464 /nfs/dbraw/zinc/32/54/64/1133325464.db2.gz JWBUZDOZUQQZJB-INIZCTEOSA-N 0 3 331.378 3.651 20 10 EHCDHN Cc1ccc(N2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H](C)C2)cc1C ZINC001180167016 1133341674 /nfs/dbraw/zinc/34/16/74/1133341674.db2.gz YXQBVKMWJLBZHR-INIZCTEOSA-N 0 3 328.431 3.859 20 10 EHCDHN Cc1ccc(N2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H](C)C2)cc1C ZINC001180167016 1133341679 /nfs/dbraw/zinc/34/16/79/1133341679.db2.gz YXQBVKMWJLBZHR-INIZCTEOSA-N 0 3 328.431 3.859 20 10 EHCDHN [NH3+]CCN(Cc1ccc(Cl)cc1[O-])c1ccc2ccccc2n1 ZINC001182424974 1133654561 /nfs/dbraw/zinc/65/45/61/1133654561.db2.gz XUCAZJKKTLGGCP-UHFFFAOYSA-N 0 3 327.815 3.559 20 10 EHCDHN COc1cc(O)c(CN2CCC(CC(F)(F)F)CC2)cc1OC ZINC000789526328 1134290402 /nfs/dbraw/zinc/29/04/02/1134290402.db2.gz CFZVUZCVGFNXAT-UHFFFAOYSA-N 0 3 333.350 3.574 20 10 EHCDHN C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1ccccc1[O-] ZINC000775128370 1134347244 /nfs/dbraw/zinc/34/72/44/1134347244.db2.gz AKGMEYOPYUPBFT-GFCCVEGCSA-N 0 3 336.229 3.884 20 10 EHCDHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC12CCC2 ZINC000792231681 1134669820 /nfs/dbraw/zinc/66/98/20/1134669820.db2.gz MFWKHOFJKKLYSZ-KRWDZBQOSA-N 0 3 329.440 3.623 20 10 EHCDHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC12CCC2 ZINC000792231681 1134669823 /nfs/dbraw/zinc/66/98/23/1134669823.db2.gz MFWKHOFJKKLYSZ-KRWDZBQOSA-N 0 3 329.440 3.623 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCCCC2CCCCC2)c1 ZINC000775373164 1134681185 /nfs/dbraw/zinc/68/11/85/1134681185.db2.gz OONVKDOFCHOOJQ-HNNXBMFYSA-N 0 3 348.487 3.528 20 10 EHCDHN Cc1ccc(CN(CCO)Cc2cc(-c3ccccc3)ccc2O)o1 ZINC000793366811 1134912979 /nfs/dbraw/zinc/91/29/79/1134912979.db2.gz UJVFALGYDCQUGO-UHFFFAOYSA-N 0 3 337.419 3.955 20 10 EHCDHN FC(F)(F)COc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000078820151 1135105411 /nfs/dbraw/zinc/10/54/11/1135105411.db2.gz KCMQNQGFIGHBLN-UHFFFAOYSA-N 0 3 337.341 3.852 20 10 EHCDHN CCC(CC)COC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001194723879 1135313291 /nfs/dbraw/zinc/31/32/91/1135313291.db2.gz NYSNKMVMSPUBMT-UHFFFAOYSA-N 0 3 334.460 3.519 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+](CCO)C2CCCCC2)c1[O-] ZINC000775632854 1135363011 /nfs/dbraw/zinc/36/30/11/1135363011.db2.gz AYRRANXHYHESRO-UHFFFAOYSA-N 0 3 342.277 3.590 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+](CCO)C2CCCCC2)c1[O-] ZINC000775632854 1135363017 /nfs/dbraw/zinc/36/30/17/1135363017.db2.gz AYRRANXHYHESRO-UHFFFAOYSA-N 0 3 342.277 3.590 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1[O-] ZINC000775644014 1135392288 /nfs/dbraw/zinc/39/22/88/1135392288.db2.gz ZNZAHVMLFHSUCV-UHFFFAOYSA-N 0 3 333.815 3.757 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1[O-] ZINC000775644014 1135392294 /nfs/dbraw/zinc/39/22/94/1135392294.db2.gz ZNZAHVMLFHSUCV-UHFFFAOYSA-N 0 3 333.815 3.757 20 10 EHCDHN COc1ccc(O)c(CN(C)Cc2cccc(Br)c2)c1 ZINC000775648336 1135404667 /nfs/dbraw/zinc/40/46/67/1135404667.db2.gz DZBKEFVGYRJNLZ-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000775698319 1135532685 /nfs/dbraw/zinc/53/26/85/1135532685.db2.gz OPJSKGUSNWXZFY-LBPRGKRZSA-N 0 3 342.867 3.699 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000775698319 1135532690 /nfs/dbraw/zinc/53/26/90/1135532690.db2.gz OPJSKGUSNWXZFY-LBPRGKRZSA-N 0 3 342.867 3.699 20 10 EHCDHN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)c(C)c1OC ZINC000808385267 1135657148 /nfs/dbraw/zinc/65/71/48/1135657148.db2.gz ODHXQOCSERXYMH-UHFFFAOYSA-N 0 3 332.419 3.507 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000808708590 1135717646 /nfs/dbraw/zinc/71/76/46/1135717646.db2.gz NSHLSYRNBLFRNC-BFUOFWGJSA-N 0 3 331.843 3.839 20 10 EHCDHN Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808714995 1135719487 /nfs/dbraw/zinc/71/94/87/1135719487.db2.gz GKSWWTGDTRVDDQ-PBHICJAKSA-N 0 3 333.859 3.917 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000808715813 1135720737 /nfs/dbraw/zinc/72/07/37/1135720737.db2.gz XJUQYPUBFIPGMN-NSHDSACASA-N 0 3 337.876 3.550 20 10 EHCDHN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(-c5ccccc5)ccc4[O-])[C@H]1[C@H]3C2 ZINC000809697374 1135868351 /nfs/dbraw/zinc/86/83/51/1135868351.db2.gz FVTHHVNFLBRKKF-QTOWHEFOSA-N 0 3 335.447 3.914 20 10 EHCDHN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(-c5ccccc5)ccc4[O-])[C@H]1[C@H]3C2 ZINC000809697374 1135868355 /nfs/dbraw/zinc/86/83/55/1135868355.db2.gz FVTHHVNFLBRKKF-QTOWHEFOSA-N 0 3 335.447 3.914 20 10 EHCDHN OC[C@H]1C=C[C@@H](N(Cc2cccs2)Cc2cc(F)ccc2O)C1 ZINC000809768836 1135880385 /nfs/dbraw/zinc/88/03/85/1135880385.db2.gz YEQKUSAETJNNCH-XJKSGUPXSA-N 0 3 333.428 3.532 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000811512141 1136102882 /nfs/dbraw/zinc/10/28/82/1136102882.db2.gz DWXQLQQRWMMQMU-OAQYLSRUSA-N 0 3 339.435 3.761 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000811512141 1136102884 /nfs/dbraw/zinc/10/28/84/1136102884.db2.gz DWXQLQQRWMMQMU-OAQYLSRUSA-N 0 3 339.435 3.761 20 10 EHCDHN CCOc1cccc(CNC[C@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850356487 1136240258 /nfs/dbraw/zinc/24/02/58/1136240258.db2.gz WDEHDBVHROWLTF-HNNXBMFYSA-N 0 3 347.377 3.771 20 10 EHCDHN CC[C@@H](NCc1cccnc1N1CCCC1)c1ccc(N(C)C)cc1 ZINC000850500021 1136271884 /nfs/dbraw/zinc/27/18/84/1136271884.db2.gz CBLWESKIRRDNDO-HXUWFJFHSA-N 0 3 338.499 3.989 20 10 EHCDHN Cc1cncc(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000850549039 1136283417 /nfs/dbraw/zinc/28/34/17/1136283417.db2.gz CVNYEUGKRKPCDV-NRFANRHFSA-N 0 3 347.462 3.997 20 10 EHCDHN C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850572117 1136289393 /nfs/dbraw/zinc/28/93/93/1136289393.db2.gz BFICPDGWKBZZPJ-MHRLRVJTSA-N 0 3 329.415 3.834 20 10 EHCDHN C[C@@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850572116 1136289419 /nfs/dbraw/zinc/28/94/19/1136289419.db2.gz BFICPDGWKBZZPJ-IHHFWDAISA-N 0 3 329.415 3.834 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccccc1[O-] ZINC000850574707 1136290138 /nfs/dbraw/zinc/29/01/38/1136290138.db2.gz ITANAGGYIVFZBH-GOSISDBHSA-N 0 3 339.439 3.553 20 10 EHCDHN COC[C@H](C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000851880077 1136415736 /nfs/dbraw/zinc/41/57/36/1136415736.db2.gz SVUAQRJGZMHTKP-LPHOPBHVSA-N 0 3 329.440 3.617 20 10 EHCDHN COC[C@H](C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000851880077 1136415738 /nfs/dbraw/zinc/41/57/38/1136415738.db2.gz SVUAQRJGZMHTKP-LPHOPBHVSA-N 0 3 329.440 3.617 20 10 EHCDHN CCC[N@H+](CCC(=O)OCc1ccccc1)Cc1ccccc1[O-] ZINC000776589857 1136452925 /nfs/dbraw/zinc/45/29/25/1136452925.db2.gz WMAPBKVOCLUQQM-UHFFFAOYSA-N 0 3 327.424 3.738 20 10 EHCDHN CCC[N@@H+](CCC(=O)OCc1ccccc1)Cc1ccccc1[O-] ZINC000776589857 1136452926 /nfs/dbraw/zinc/45/29/26/1136452926.db2.gz WMAPBKVOCLUQQM-UHFFFAOYSA-N 0 3 327.424 3.738 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853610951 1136549119 /nfs/dbraw/zinc/54/91/19/1136549119.db2.gz VULJAFCKXTXDNT-BEFAXECRSA-N 0 3 331.456 3.610 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853610951 1136549121 /nfs/dbraw/zinc/54/91/21/1136549121.db2.gz VULJAFCKXTXDNT-BEFAXECRSA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@H](NCc1ccnc(Br)c1)c1ccc(N(C)C)cc1 ZINC000815093408 1136555111 /nfs/dbraw/zinc/55/51/11/1136555111.db2.gz JIMKGEIEJUGVIP-LBPRGKRZSA-N 0 3 334.261 3.761 20 10 EHCDHN COc1ccc2c(c1)OC(C)(C)CN(Cc1cccc(OC)c1O)C2 ZINC000817418588 1136807284 /nfs/dbraw/zinc/80/72/84/1136807284.db2.gz XZGDHMDDNIGLTR-UHFFFAOYSA-N 0 3 343.423 3.583 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)c1[O-] ZINC000817954899 1136850821 /nfs/dbraw/zinc/85/08/21/1136850821.db2.gz MINAMAPZPTUIHK-LRDDRELGSA-N 0 3 349.272 3.814 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000818342451 1136873227 /nfs/dbraw/zinc/87/32/27/1136873227.db2.gz RAFPVACVCXQFAJ-KXBFYZLASA-N 0 3 338.451 3.504 20 10 EHCDHN Cc1ccc([C@H](O)[C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858163343 1136945574 /nfs/dbraw/zinc/94/55/74/1136945574.db2.gz DVXOMFOZDNLFQP-BFUOFWGJSA-N 0 3 334.410 3.551 20 10 EHCDHN COC1CCN(c2ccc(CN3CCC(F)(F)C[C@@H]3C)cc2)CC1 ZINC000859839053 1137034001 /nfs/dbraw/zinc/03/40/01/1137034001.db2.gz ULZQMXCMOKVXPD-HNNXBMFYSA-N 0 3 338.442 3.921 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cc2cccnc2o1)C[C@H]1CCCO1 ZINC000823386746 1137097492 /nfs/dbraw/zinc/09/74/92/1137097492.db2.gz LMMTVRPACDYPND-QGZVFWFLSA-N 0 3 338.407 3.715 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cc2cccnc2o1)C[C@H]1CCCO1 ZINC000823386746 1137097494 /nfs/dbraw/zinc/09/74/94/1137097494.db2.gz LMMTVRPACDYPND-QGZVFWFLSA-N 0 3 338.407 3.715 20 10 EHCDHN COc1ccc(N2CCCN(Cc3cc4cccnc4o3)CC2)cc1 ZINC000823418828 1137100801 /nfs/dbraw/zinc/10/08/01/1137100801.db2.gz KHMLBJQQOOVREI-UHFFFAOYSA-N 0 3 337.423 3.549 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000772880007 1137135579 /nfs/dbraw/zinc/13/55/79/1137135579.db2.gz SSBNWLRXNUTLNV-INIZCTEOSA-N 0 3 334.891 3.932 20 10 EHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000862478794 1137145992 /nfs/dbraw/zinc/14/59/92/1137145992.db2.gz QSWXGXMHPQCEEA-NVXWUHKLSA-N 0 3 348.487 3.826 20 10 EHCDHN CCOc1ccc(O)c(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000824690415 1137148536 /nfs/dbraw/zinc/14/85/36/1137148536.db2.gz FIERUXVVTIKFPX-KRWDZBQOSA-N 0 3 335.831 3.610 20 10 EHCDHN COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3c([O-])cccc3OC)C2)c1 ZINC000825289710 1137171845 /nfs/dbraw/zinc/17/18/45/1137171845.db2.gz DWHOYNGHOIKQJM-WKILWMFISA-N 0 3 327.424 3.787 20 10 EHCDHN COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3c([O-])cccc3OC)C2)c1 ZINC000825289710 1137171847 /nfs/dbraw/zinc/17/18/47/1137171847.db2.gz DWHOYNGHOIKQJM-WKILWMFISA-N 0 3 327.424 3.787 20 10 EHCDHN Oc1ccccc1CN(Cc1cc2n(n1)CCCC2)C1CCCC1 ZINC000844297051 1137209711 /nfs/dbraw/zinc/20/97/11/1137209711.db2.gz MDFKTJOPUQMTTP-UHFFFAOYSA-N 0 3 325.456 3.870 20 10 EHCDHN CC[C@@H]1COC(C)(C)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000844385960 1137216236 /nfs/dbraw/zinc/21/62/36/1137216236.db2.gz LCGWUMOKGIDRNW-GOSISDBHSA-N 0 3 346.515 3.691 20 10 EHCDHN CC[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802388 1137252153 /nfs/dbraw/zinc/25/21/53/1137252153.db2.gz NPGXSAWITVOUBK-HXUWFJFHSA-N 0 3 338.495 3.841 20 10 EHCDHN CC1CCN(c2ccc(CN[C@H]3CCCc4nn(C)cc43)cc2)CC1 ZINC000794811685 1137262329 /nfs/dbraw/zinc/26/23/29/1137262329.db2.gz XZSDJNUSJXEHLF-FQEVSTJZSA-N 0 3 338.499 3.824 20 10 EHCDHN COc1cccc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)c1O ZINC000846148449 1137336102 /nfs/dbraw/zinc/33/61/02/1137336102.db2.gz ZNSNFBSRJBYXFO-VXGBXAGGSA-N 0 3 349.402 3.969 20 10 EHCDHN COCCOc1cc(C)ccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846151388 1137336417 /nfs/dbraw/zinc/33/64/17/1137336417.db2.gz XOHBVAPNGPOECE-OAHLLOKOSA-N 0 3 345.439 3.585 20 10 EHCDHN CCCCCn1cc(CN[C@@H](C)c2cccc(OC)c2O)c(C)n1 ZINC000846159080 1137336663 /nfs/dbraw/zinc/33/66/63/1137336663.db2.gz MKWZAKXWXRLPSW-HNNXBMFYSA-N 0 3 331.460 3.947 20 10 EHCDHN CCCN(CCN(C)C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001147849542 1137413909 /nfs/dbraw/zinc/41/39/09/1137413909.db2.gz GKIXEXWVJGQUJJ-UHFFFAOYSA-N 0 3 341.499 3.816 20 10 EHCDHN COc1cccc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000873186087 1137593096 /nfs/dbraw/zinc/59/30/96/1137593096.db2.gz DCFZOHLSKGWYKB-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2nccnc2c1)C[C@H]1CCCO1 ZINC000876532084 1137654654 /nfs/dbraw/zinc/65/46/54/1137654654.db2.gz XVQPIQODDQJRFL-GOSISDBHSA-N 0 3 349.434 3.517 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2nccnc2c1)C[C@H]1CCCO1 ZINC000876532084 1137654655 /nfs/dbraw/zinc/65/46/55/1137654655.db2.gz XVQPIQODDQJRFL-GOSISDBHSA-N 0 3 349.434 3.517 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c([O-])c1 ZINC000877483784 1137677813 /nfs/dbraw/zinc/67/78/13/1137677813.db2.gz POXVFJYJTSVJRB-GOEBONIOSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000877546796 1137680835 /nfs/dbraw/zinc/68/08/35/1137680835.db2.gz UTIALNQSRNSZBV-KRWDZBQOSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])C2CC2)cc1 ZINC000879648904 1137753635 /nfs/dbraw/zinc/75/36/35/1137753635.db2.gz FWIQEKMLDWRPKE-VFNWGFHPSA-N 0 3 338.451 3.619 20 10 EHCDHN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648951 1137753717 /nfs/dbraw/zinc/75/37/17/1137753717.db2.gz HEBMMSVLQLYBGH-OAGGEKHMSA-N 0 3 326.440 3.617 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651163 1137753874 /nfs/dbraw/zinc/75/38/74/1137753874.db2.gz KWPSWQYCWQDIJA-NWDGAFQWSA-N 0 3 348.830 3.732 20 10 EHCDHN CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879650054 1137753893 /nfs/dbraw/zinc/75/38/93/1137753893.db2.gz ZFXKTSCVDXZMDB-CHWSQXEVSA-N 0 3 330.453 3.792 20 10 EHCDHN COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000883330654 1137855448 /nfs/dbraw/zinc/85/54/48/1137855448.db2.gz JCOAZYBVGAJPFY-HOTGVXAUSA-N 0 3 325.408 3.892 20 10 EHCDHN Cc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000120414818 1137949519 /nfs/dbraw/zinc/94/95/19/1137949519.db2.gz DVVXAAZNEYLYPZ-INIZCTEOSA-N 0 3 328.431 3.822 20 10 EHCDHN COc1cccc(CN2CCC[C@H]2c2cccc3c2OCCO3)c1O ZINC000092968751 1138232793 /nfs/dbraw/zinc/23/27/93/1138232793.db2.gz KHRVCQHYNJBXJK-INIZCTEOSA-N 0 3 341.407 3.509 20 10 EHCDHN C[C@@H](NCc1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124298875 1138283397 /nfs/dbraw/zinc/28/33/97/1138283397.db2.gz VMWNQKJZWTYHLQ-CQSZACIVSA-N 0 3 332.394 3.652 20 10 EHCDHN CCNC(=O)c1cccc(CN[C@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000177882578 1139650379 /nfs/dbraw/zinc/65/03/79/1139650379.db2.gz TZSKBRFNIUEYHT-HXUWFJFHSA-N 0 3 339.483 3.743 20 10 EHCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000177974945 1139659940 /nfs/dbraw/zinc/65/99/40/1139659940.db2.gz VZDGVZKQLFNECR-FYSMJZIKSA-N 0 3 342.508 3.875 20 10 EHCDHN Cc1cc(O)c(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000180282499 1139824701 /nfs/dbraw/zinc/82/47/01/1139824701.db2.gz QYAFAPOMJRUYGZ-WNSKOXEYSA-N 0 3 331.481 3.939 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000184254970 1140090639 /nfs/dbraw/zinc/09/06/39/1140090639.db2.gz QWQABOUGIAOMDX-UHFFFAOYSA-N 0 3 343.858 3.734 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1[O-] ZINC000184709957 1140116267 /nfs/dbraw/zinc/11/62/67/1140116267.db2.gz IQCPISUEFVNSMG-CQSZACIVSA-N 0 3 325.836 3.636 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1cc(F)ccc1[O-] ZINC000185019780 1140132061 /nfs/dbraw/zinc/13/20/61/1140132061.db2.gz IGCMFSYGBGLNQT-ZDUSSCGKSA-N 0 3 328.387 3.509 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000185172762 1140138915 /nfs/dbraw/zinc/13/89/15/1140138915.db2.gz ICBUFHPODLOMCQ-INIZCTEOSA-N 0 3 338.451 3.656 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)c1[O-] ZINC000187307257 1140248847 /nfs/dbraw/zinc/24/88/47/1140248847.db2.gz QOKIYEZDKAKWJH-VXGBXAGGSA-N 0 3 342.277 3.929 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccccc2N(C)C)c1[O-] ZINC000777484879 1140554176 /nfs/dbraw/zinc/55/41/76/1140554176.db2.gz PRQRKVAQYVKKAI-UHFFFAOYSA-N 0 3 349.272 3.819 20 10 EHCDHN NC(=O)CCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271186696 1141320484 /nfs/dbraw/zinc/32/04/84/1141320484.db2.gz JWCFSVGXCZVXPA-UHFFFAOYSA-N 0 3 338.451 3.537 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(CC)CC1)c1cc(Br)ccc1[O-] ZINC000038097928 522562817 /nfs/dbraw/zinc/56/28/17/522562817.db2.gz ZEMMTPRBFROHBI-HNNXBMFYSA-N 0 3 341.293 3.680 20 10 EHCDHN Oc1ccccc1C[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000738400838 598620996 /nfs/dbraw/zinc/62/09/96/598620996.db2.gz LOARMRGLHKVNCU-UHFFFAOYSA-N 0 3 349.438 3.517 20 10 EHCDHN Oc1ccccc1C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000738400838 598620997 /nfs/dbraw/zinc/62/09/97/598620997.db2.gz LOARMRGLHKVNCU-UHFFFAOYSA-N 0 3 349.438 3.517 20 10 EHCDHN Cc1ccc(O)c(CNCc2cc(Br)cc3c2OCC3)c1 ZINC000122305143 1017242138 /nfs/dbraw/zinc/24/21/38/1017242138.db2.gz SYWSYUVBRZJVAC-UHFFFAOYSA-N 0 3 348.240 3.688 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1ccccc1[O-] ZINC000122329746 1017360800 /nfs/dbraw/zinc/36/08/00/1017360800.db2.gz ZYOPMOFGIVONJV-NSHDSACASA-N 0 3 348.240 3.940 20 10 EHCDHN COc1cccc(CNCc2ccc(-c3ccncc3)cc2F)c1O ZINC000377633119 1018102016 /nfs/dbraw/zinc/10/20/16/1018102016.db2.gz WHSVAZJEHXTWQL-UHFFFAOYSA-N 0 3 338.382 3.892 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000155571537 1018362599 /nfs/dbraw/zinc/36/25/99/1018362599.db2.gz FZTKAFOJQDORJG-OXJNMPFZSA-N 0 3 340.467 3.968 20 10 EHCDHN CC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(C)cc1[O-] ZINC000280073914 1020061967 /nfs/dbraw/zinc/06/19/67/1020061967.db2.gz LDWODIHJRZRWJS-KRWDZBQOSA-N 0 3 342.487 3.692 20 10 EHCDHN CCCOc1ccc(CN[C@H](CO)c2ccc(Cl)cc2)c(O)c1 ZINC000093114653 1032875775 /nfs/dbraw/zinc/87/57/75/1032875775.db2.gz GEXQOCJOWVPDRK-QGZVFWFLSA-N 0 3 335.831 3.658 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000093114653 1032875789 /nfs/dbraw/zinc/87/57/89/1032875789.db2.gz GEXQOCJOWVPDRK-QGZVFWFLSA-N 0 3 335.831 3.658 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C(C)(C)C1 ZINC000283061001 1024129897 /nfs/dbraw/zinc/12/98/97/1024129897.db2.gz TXDYHFQAYUUVIU-MRXNPFEDSA-N 0 3 334.460 3.517 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCCOC1 ZINC000895661642 1024701802 /nfs/dbraw/zinc/70/18/02/1024701802.db2.gz CRSRPOFVTDNZCK-IUODEOHRSA-N 0 3 342.277 3.758 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C)c1ccccc1[O-] ZINC000895852568 1024913264 /nfs/dbraw/zinc/91/32/64/1024913264.db2.gz WOROXZMENIWBKW-NSHDSACASA-N 0 3 339.361 3.723 20 10 EHCDHN C[C@H](NCc1ccc(C(F)(F)F)nc1N(C)C)c1ccccc1O ZINC000895852568 1024913266 /nfs/dbraw/zinc/91/32/66/1024913266.db2.gz WOROXZMENIWBKW-NSHDSACASA-N 0 3 339.361 3.723 20 10 EHCDHN CC[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000157493170 1024935678 /nfs/dbraw/zinc/93/56/78/1024935678.db2.gz GBVHPULZTFTYQF-HXUWFJFHSA-N 0 3 326.488 3.897 20 10 EHCDHN C[C@@H]1COCCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC000025480318 1025075355 /nfs/dbraw/zinc/07/53/55/1025075355.db2.gz ORMRLCIZWDBZPD-LLVKDONJSA-N 0 3 336.229 3.529 20 10 EHCDHN Cc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ccn1 ZINC000527658863 1031120114 /nfs/dbraw/zinc/12/01/14/1031120114.db2.gz CWEFWYTWMIRZCP-GOSISDBHSA-N 0 3 345.874 3.503 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529637171 1034323952 /nfs/dbraw/zinc/32/39/52/1034323952.db2.gz OREAHEBJQBMIMQ-GOSISDBHSA-N 0 3 341.451 3.878 20 10 EHCDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH+](C2CCCC2)CC1 ZINC000191285587 1036357564 /nfs/dbraw/zinc/35/75/64/1036357564.db2.gz XTXGAXVKNMKRRZ-UHFFFAOYSA-N 0 3 326.843 3.681 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000182349406 1038586473 /nfs/dbraw/zinc/58/64/73/1038586473.db2.gz XGAFTCQWWBEUSY-AWEZNQCLSA-N 0 3 342.439 3.814 20 10 EHCDHN CN(C)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1C(F)(F)F ZINC000899672297 1040948620 /nfs/dbraw/zinc/94/86/20/1040948620.db2.gz YSWUXMXDHKYMSQ-UHFFFAOYSA-N 0 3 344.358 3.786 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000156335646 1041122371 /nfs/dbraw/zinc/12/23/71/1041122371.db2.gz GLLDWBABNZXEIY-WBVHZDCISA-N 0 3 326.440 3.720 20 10 EHCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000398187093 1041173004 /nfs/dbraw/zinc/17/30/04/1041173004.db2.gz YLENYRUZRRKAKD-AHRSYUTCSA-N 0 3 336.479 3.880 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCOC(F)F)c1[O-] ZINC000194029130 1041196387 /nfs/dbraw/zinc/19/63/87/1041196387.db2.gz BRLSSUVAIAMBRH-SECBINFHSA-N 0 3 338.192 3.743 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000156428036 1041198390 /nfs/dbraw/zinc/19/83/90/1041198390.db2.gz HOYMZYMHIXQAJD-LRDDRELGSA-N 0 3 346.377 3.517 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(C)cc1[O-] ZINC000279961834 1041283335 /nfs/dbraw/zinc/28/33/35/1041283335.db2.gz CJIPLTCHFIRHQY-GOSISDBHSA-N 0 3 347.480 3.735 20 10 EHCDHN COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000183632789 1125624497 /nfs/dbraw/zinc/62/44/97/1125624497.db2.gz HMHGEKWFXHEXTQ-HUUCEWRRSA-N 0 3 329.440 3.939 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1cc(F)ccc1[O-] ZINC000184920450 1126713043 /nfs/dbraw/zinc/71/30/43/1126713043.db2.gz VFAJPJQYIZZSAY-CQSZACIVSA-N 0 3 325.387 3.627 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cc(F)ccc1[O-] ZINC000185011112 1126735012 /nfs/dbraw/zinc/73/50/12/1126735012.db2.gz DWOBPVXGDMWCQG-AWEZNQCLSA-N 0 3 342.414 3.505 20 10 EHCDHN Cn1ccnc1C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921802819 1128774812 /nfs/dbraw/zinc/77/48/12/1128774812.db2.gz YJXGQLVTECALAS-HXUWFJFHSA-N 0 3 347.462 3.819 20 10 EHCDHN CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762646723 1121397191 /nfs/dbraw/zinc/39/71/91/1121397191.db2.gz BHFWFJPHAQUYIR-YOEHRIQHSA-N 0 3 340.895 3.587 20 10 EHCDHN COc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)cc1 ZINC000154146043 1122331033 /nfs/dbraw/zinc/33/10/33/1122331033.db2.gz VBBYMBINKWQUTC-HNNXBMFYSA-N 0 3 326.440 3.720 20 10 EHCDHN COc1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1O ZINC000154712795 1122801109 /nfs/dbraw/zinc/80/11/09/1122801109.db2.gz LHANYVNBLXOVED-UHFFFAOYSA-N 0 3 339.391 3.902 20 10 EHCDHN C[C@@H](NCc1cccnc1N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000154797344 1122899376 /nfs/dbraw/zinc/89/93/76/1122899376.db2.gz JMEDEUGEADKJEI-QGZVFWFLSA-N 0 3 338.499 3.989 20 10 EHCDHN CN(C)c1ccc(CN(C)Cc2c[nH]nc2-c2ccccc2F)cc1 ZINC000155191197 1123307824 /nfs/dbraw/zinc/30/78/24/1123307824.db2.gz XFRKILFYZXVCMM-UHFFFAOYSA-N 0 3 338.430 3.914 20 10 EHCDHN CC(C)N(C)CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000181583802 1124958106 /nfs/dbraw/zinc/95/81/06/1124958106.db2.gz QPSXGJFHYUUGCZ-QGZVFWFLSA-N 0 3 340.467 3.822 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1[O-] ZINC000735668112 1131370866 /nfs/dbraw/zinc/37/08/66/1131370866.db2.gz PACHGXOVVGUEOJ-QWHCGFSZSA-N 0 3 345.464 3.658 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1[O-] ZINC000735668112 1131370868 /nfs/dbraw/zinc/37/08/68/1131370868.db2.gz PACHGXOVVGUEOJ-QWHCGFSZSA-N 0 3 345.464 3.658 20 10 EHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCCC1 ZINC000731846454 1130849499 /nfs/dbraw/zinc/84/94/99/1130849499.db2.gz ZSVVHXVCWDZYRM-UHFFFAOYSA-N 0 3 330.472 3.586 20 10 EHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCCC1 ZINC000731846454 1130849508 /nfs/dbraw/zinc/84/95/08/1130849508.db2.gz ZSVVHXVCWDZYRM-UHFFFAOYSA-N 0 3 330.472 3.586 20 10 EHCDHN C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1[O-] ZINC000731842833 1130851044 /nfs/dbraw/zinc/85/10/44/1130851044.db2.gz IPUMFRMDQANDGR-UHFFFAOYSA-N 0 3 325.330 3.922 20 10 EHCDHN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1[O-] ZINC000731842833 1130851050 /nfs/dbraw/zinc/85/10/50/1130851050.db2.gz IPUMFRMDQANDGR-UHFFFAOYSA-N 0 3 325.330 3.922 20 10 EHCDHN CO[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(F)(F)F ZINC000733329692 1131027403 /nfs/dbraw/zinc/02/74/03/1131027403.db2.gz XKLVMMUOTDVYSY-INIZCTEOSA-N 0 3 325.330 3.726 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000733335025 1131028713 /nfs/dbraw/zinc/02/87/13/1131028713.db2.gz ZIPSAUBPJHIPER-QGZVFWFLSA-N 0 3 348.849 3.939 20 10 EHCDHN Fc1cc(CNCc2coc3ccccc23)ccc1N1CCOCC1 ZINC000734004215 1131182654 /nfs/dbraw/zinc/18/26/54/1131182654.db2.gz WOTDDOOLRDCTML-UHFFFAOYSA-N 0 3 340.398 3.698 20 10 EHCDHN C[C@H]1SCCN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000738259150 1131465060 /nfs/dbraw/zinc/46/50/60/1131465060.db2.gz SVYJEHFQQUDBNT-BFUOFWGJSA-N 0 3 343.448 3.800 20 10 EHCDHN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000741720758 1131637089 /nfs/dbraw/zinc/63/70/89/1131637089.db2.gz WQDUINNJDXNXCF-IBGZPJMESA-N 0 3 339.483 3.569 20 10 EHCDHN COc1ccc(CN[C@H]2CCCN(c3ccc(C)cc3)C2=O)cc1C ZINC000742381282 1131712841 /nfs/dbraw/zinc/71/28/41/1131712841.db2.gz YANBPSQFDXRMOO-IBGZPJMESA-N 0 3 338.451 3.597 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000743869860 1131996099 /nfs/dbraw/zinc/99/60/99/1131996099.db2.gz CVINOIIRBJTOHZ-FUHWJXTLSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000743869860 1131996104 /nfs/dbraw/zinc/99/61/04/1131996104.db2.gz CVINOIIRBJTOHZ-FUHWJXTLSA-N 0 3 332.488 3.784 20 10 EHCDHN CN(C)c1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000768134669 1133100342 /nfs/dbraw/zinc/10/03/42/1133100342.db2.gz SRIRAFLMKAKXKT-UHFFFAOYSA-N 0 3 340.471 3.583 20 10 EHCDHN CN(C)c1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)cn1 ZINC000768134669 1133100344 /nfs/dbraw/zinc/10/03/44/1133100344.db2.gz SRIRAFLMKAKXKT-UHFFFAOYSA-N 0 3 340.471 3.583 20 10 EHCDHN Fc1cc(CN(Cc2ccccc2)C2CC2)ccc1N1CCOCC1 ZINC000768227704 1133115683 /nfs/dbraw/zinc/11/56/83/1133115683.db2.gz FGEYNAUYEPOZAI-UHFFFAOYSA-N 0 3 340.442 3.827 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000768234734 1133116807 /nfs/dbraw/zinc/11/68/07/1133116807.db2.gz OLCRESYDTMXJJW-UHFFFAOYSA-N 0 3 327.424 3.876 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000768244262 1133120110 /nfs/dbraw/zinc/12/01/10/1133120110.db2.gz HUGPNINEQSLSOA-AWEZNQCLSA-N 0 3 338.407 3.922 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000768244262 1133120115 /nfs/dbraw/zinc/12/01/15/1133120115.db2.gz HUGPNINEQSLSOA-AWEZNQCLSA-N 0 3 338.407 3.922 20 10 EHCDHN CCc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C2CC2)cc1 ZINC000768439159 1133138218 /nfs/dbraw/zinc/13/82/18/1133138218.db2.gz IMOBSFKHMCKQMB-HXUWFJFHSA-N 0 3 339.435 3.545 20 10 EHCDHN CCc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C2CC2)cc1 ZINC000768439159 1133138220 /nfs/dbraw/zinc/13/82/20/1133138220.db2.gz IMOBSFKHMCKQMB-HXUWFJFHSA-N 0 3 339.435 3.545 20 10 EHCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1C ZINC000768448794 1133140330 /nfs/dbraw/zinc/14/03/30/1133140330.db2.gz XNRCWRFHTOBNLN-AZUAARDMSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1C ZINC000768448794 1133140333 /nfs/dbraw/zinc/14/03/33/1133140333.db2.gz XNRCWRFHTOBNLN-AZUAARDMSA-N 0 3 339.435 3.772 20 10 EHCDHN CCN(C)c1ccc(CN(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000773733779 1133147502 /nfs/dbraw/zinc/14/75/02/1133147502.db2.gz MOCWOBIYFFAWHH-UHFFFAOYSA-N 0 3 328.456 3.792 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)c([O-])c1 ZINC000769236653 1133247691 /nfs/dbraw/zinc/24/76/91/1133247691.db2.gz BVPYXGYLQVSFRZ-INIZCTEOSA-N 0 3 327.424 3.789 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c([O-])c1 ZINC000769236653 1133247697 /nfs/dbraw/zinc/24/76/97/1133247697.db2.gz BVPYXGYLQVSFRZ-INIZCTEOSA-N 0 3 327.424 3.789 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)CC)c([O-])c1 ZINC000769499256 1133302875 /nfs/dbraw/zinc/30/28/75/1133302875.db2.gz QFVUZZRBCSAHFB-SFHVURJKSA-N 0 3 329.440 3.564 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)CC)c([O-])c1 ZINC000769499256 1133302879 /nfs/dbraw/zinc/30/28/79/1133302879.db2.gz QFVUZZRBCSAHFB-SFHVURJKSA-N 0 3 329.440 3.564 20 10 EHCDHN CCOc1ccc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000769563762 1133315308 /nfs/dbraw/zinc/31/53/08/1133315308.db2.gz PNASZYNARHEMLV-SHACYNPGSA-N 0 3 347.480 3.721 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000770326678 1133411350 /nfs/dbraw/zinc/41/13/50/1133411350.db2.gz QKVYMLUEBFWXBG-YJBOKZPZSA-N 0 3 345.439 3.862 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000770326678 1133411353 /nfs/dbraw/zinc/41/13/53/1133411353.db2.gz QKVYMLUEBFWXBG-YJBOKZPZSA-N 0 3 345.439 3.862 20 10 EHCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000772442255 1133685929 /nfs/dbraw/zinc/68/59/29/1133685929.db2.gz DIBWBBMIYLLLDD-MRXNPFEDSA-N 0 3 327.497 3.794 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000774480801 1133687286 /nfs/dbraw/zinc/68/72/86/1133687286.db2.gz DWCQZIJJPAUJOF-YVSFHVDLSA-N 0 3 331.504 3.581 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC2(CCCC2)O1 ZINC000788018291 1134064670 /nfs/dbraw/zinc/06/46/70/1134064670.db2.gz AEMSQGGCHICTDT-RTBURBONSA-N 0 3 345.483 3.865 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC2(CCCC2)O1 ZINC000788018291 1134064678 /nfs/dbraw/zinc/06/46/78/1134064678.db2.gz AEMSQGGCHICTDT-RTBURBONSA-N 0 3 345.483 3.865 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC000775129596 1134351813 /nfs/dbraw/zinc/35/18/13/1134351813.db2.gz GNISPYFIRYORLZ-BZNIZROVSA-N 0 3 341.329 3.675 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775131174 1134362200 /nfs/dbraw/zinc/36/22/00/1134362200.db2.gz SSBGIHZWYQDHJC-ZBEGNZNMSA-N 0 3 325.330 3.795 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCSCC[C@@H]2C)c1[O-] ZINC000792195005 1134667458 /nfs/dbraw/zinc/66/74/58/1134667458.db2.gz BAPLIPGWCAPPBF-NSHDSACASA-N 0 3 330.291 3.791 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCSCC[C@@H]2C)c1[O-] ZINC000792195005 1134667460 /nfs/dbraw/zinc/66/74/60/1134667460.db2.gz BAPLIPGWCAPPBF-NSHDSACASA-N 0 3 330.291 3.791 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000775416645 1134758884 /nfs/dbraw/zinc/75/88/84/1134758884.db2.gz VYWDQTBQNUEVCX-RBUKOAKNSA-N 0 3 338.451 3.937 20 10 EHCDHN CN(C)c1ccc(CN(C)C[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000792791189 1134790219 /nfs/dbraw/zinc/79/02/19/1134790219.db2.gz FDVNDTQRJVBXHJ-HNNXBMFYSA-N 0 3 330.394 3.772 20 10 EHCDHN CCC(CC)[C@@H](C[NH2+][C@H](CC)c1ccccc1[O-])N1CCOCC1 ZINC000775492480 1134946846 /nfs/dbraw/zinc/94/68/46/1134946846.db2.gz OBYYDMSYNSOPGO-RTBURBONSA-N 0 3 334.504 3.570 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1[O-] ZINC000808685747 1135711514 /nfs/dbraw/zinc/71/15/14/1135711514.db2.gz FMOVYHMROXXKHW-AWEZNQCLSA-N 0 3 338.879 3.797 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1[O-] ZINC000808672322 1135713296 /nfs/dbraw/zinc/71/32/96/1135713296.db2.gz JUOIWZWWBYVORZ-TZMCWYRMSA-N 0 3 333.815 3.845 20 10 EHCDHN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808674184 1135714322 /nfs/dbraw/zinc/71/43/22/1135714322.db2.gz OHFILVNSIDTMQO-PXAZEXFGSA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000808709225 1135717687 /nfs/dbraw/zinc/71/76/87/1135717687.db2.gz WAFRZTJYQQPEQR-DZGCQCFKSA-N 0 3 331.847 3.679 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000808710475 1135718414 /nfs/dbraw/zinc/71/84/14/1135718414.db2.gz RJELRXUKYBPILI-MLGOLLRUSA-N 0 3 337.822 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000808717944 1135720879 /nfs/dbraw/zinc/72/08/79/1135720879.db2.gz IQDBHVQKMAKLDU-VXGBXAGGSA-N 0 3 342.867 3.918 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1(CCO)CCCC1 ZINC000809692043 1135867534 /nfs/dbraw/zinc/86/75/34/1135867534.db2.gz OVFJTOWECQGPGU-UHFFFAOYSA-N 0 3 341.451 3.756 20 10 EHCDHN COC(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1 ZINC000809732852 1135873784 /nfs/dbraw/zinc/87/37/84/1135873784.db2.gz MAKWLLZTUCURPM-UHFFFAOYSA-N 0 3 338.451 3.753 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000776006965 1135919367 /nfs/dbraw/zinc/91/93/67/1135919367.db2.gz DSHGSEPYIUVSNR-SFHVURJKSA-N 0 3 348.446 3.817 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000776006965 1135919369 /nfs/dbraw/zinc/91/93/69/1135919369.db2.gz DSHGSEPYIUVSNR-SFHVURJKSA-N 0 3 348.446 3.817 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@]2(CC)OCCc3ccccc32)c([O-])c1 ZINC000810160203 1135932829 /nfs/dbraw/zinc/93/28/29/1135932829.db2.gz XPZXAEYJSHUUEI-OAQYLSRUSA-N 0 3 341.451 3.759 20 10 EHCDHN COc1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)c(OC)n1 ZINC000810260216 1135943935 /nfs/dbraw/zinc/94/39/35/1135943935.db2.gz GXWPXLJNODFVPH-CYBMUJFWSA-N 0 3 342.439 3.534 20 10 EHCDHN CO[C@](C)(C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000812734429 1136239606 /nfs/dbraw/zinc/23/96/06/1136239606.db2.gz LXPALZWXSWGVBV-MEDUHNTESA-N 0 3 342.277 3.929 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3cnn(C)c3c2)cc1F ZINC000812772517 1136244551 /nfs/dbraw/zinc/24/45/51/1136244551.db2.gz WXWAEMPXBMZNEJ-UHFFFAOYSA-N 0 3 340.446 3.848 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cncc(C(F)(F)F)c2)c1 ZINC000812831279 1136256757 /nfs/dbraw/zinc/25/67/57/1136256757.db2.gz JQKHNHRJPIDDMH-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2[O-] ZINC000850485596 1136268243 /nfs/dbraw/zinc/26/82/43/1136268243.db2.gz LXDAGSRQXYUHDE-KWQFWETISA-N 0 3 341.308 3.678 20 10 EHCDHN C[C@H]1C[C@H](NCc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2O ZINC000850485596 1136268247 /nfs/dbraw/zinc/26/82/47/1136268247.db2.gz LXDAGSRQXYUHDE-KWQFWETISA-N 0 3 341.308 3.678 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(C)cc1[O-] ZINC000813882749 1136372704 /nfs/dbraw/zinc/37/27/04/1136372704.db2.gz JEEVLJVFBQGFRP-SFHVURJKSA-N 0 3 336.435 3.793 20 10 EHCDHN Cn1cncc1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815617324 1136619406 /nfs/dbraw/zinc/61/94/06/1136619406.db2.gz KUVXAKXCKSJALJ-FQEVSTJZSA-N 0 3 335.451 3.632 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000815618826 1136619962 /nfs/dbraw/zinc/61/99/62/1136619962.db2.gz VOIJSULAIVJJLW-QUCCMNQESA-N 0 3 347.462 3.867 20 10 EHCDHN CC(C)[C@@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815625593 1136620520 /nfs/dbraw/zinc/62/05/20/1136620520.db2.gz HKFRDMJONQZIQH-UYAOXDASSA-N 0 3 327.468 3.920 20 10 EHCDHN O=C(C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1)C(F)(F)F ZINC000816573556 1136738597 /nfs/dbraw/zinc/73/85/97/1136738597.db2.gz CLYXKJNBLSYVMG-UHFFFAOYSA-N 0 3 337.341 3.889 20 10 EHCDHN CN1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000816643260 1136743698 /nfs/dbraw/zinc/74/36/98/1136743698.db2.gz ZJVQPIVQTYWILA-MRXNPFEDSA-N 0 3 329.271 3.617 20 10 EHCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000816643260 1136743702 /nfs/dbraw/zinc/74/37/02/1136743702.db2.gz ZJVQPIVQTYWILA-MRXNPFEDSA-N 0 3 329.271 3.617 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000776866793 1136749306 /nfs/dbraw/zinc/74/93/06/1136749306.db2.gz ZGBOPZNYCIMPHB-JYJNAYRXSA-N 0 3 334.460 3.608 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccc(N)cc2)c1[O-] ZINC000817958438 1136851749 /nfs/dbraw/zinc/85/17/49/1136851749.db2.gz VXWJKKSLPXVWCM-LBPRGKRZSA-N 0 3 349.272 3.939 20 10 EHCDHN C[C@H]([NH2+]CCCNC1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984479 1136855596 /nfs/dbraw/zinc/85/55/96/1136855596.db2.gz UCPATKNIGAARDE-VIFPVBQESA-N 0 3 347.684 3.601 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000858491176 1136972895 /nfs/dbraw/zinc/97/28/95/1136972895.db2.gz ZRDNGFAIMUXSIX-CHWSQXEVSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[O-] ZINC000858537786 1136977011 /nfs/dbraw/zinc/97/70/11/1136977011.db2.gz RAUDWIHVGJZELS-POHZPAGDSA-N 0 3 348.830 3.635 20 10 EHCDHN COc1nccnc1CN(Cc1ccccc1O)C1CCCCC1 ZINC000823375302 1137096979 /nfs/dbraw/zinc/09/69/79/1137096979.db2.gz JTNYIRBSUYAYEZ-UHFFFAOYSA-N 0 3 327.428 3.526 20 10 EHCDHN CN(C)c1cc(F)c(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000862384317 1137141493 /nfs/dbraw/zinc/14/14/93/1137141493.db2.gz VAUFDWHJMDCHQV-POZUXBRTSA-N 0 3 338.442 3.546 20 10 EHCDHN CO[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C ZINC000824821052 1137153996 /nfs/dbraw/zinc/15/39/96/1137153996.db2.gz SSQFNDZHRCPZKR-BLLLJJGKSA-N 0 3 330.394 3.628 20 10 EHCDHN CO[C@H]([C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000825099375 1137163579 /nfs/dbraw/zinc/16/35/79/1137163579.db2.gz YNACYRMXXCQDGD-YCRPNKLZSA-N 0 3 341.451 3.874 20 10 EHCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1[O-] ZINC000794802434 1137252059 /nfs/dbraw/zinc/25/20/59/1137252059.db2.gz FNSJRVURCVXSFZ-QGZVFWFLSA-N 0 3 346.858 3.825 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794805359 1137253545 /nfs/dbraw/zinc/25/35/45/1137253545.db2.gz GMJKETUUTFKKNK-OALUTQOASA-N 0 3 338.451 3.937 20 10 EHCDHN CC[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794808495 1137257391 /nfs/dbraw/zinc/25/73/91/1137257391.db2.gz ODTRSDTUTAEEFD-FPOVZHCZSA-N 0 3 325.452 3.965 20 10 EHCDHN CC[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794818585 1137265361 /nfs/dbraw/zinc/26/53/61/1137265361.db2.gz UBBAFJAEIDMOLG-WBVHZDCISA-N 0 3 327.424 3.971 20 10 EHCDHN CCN(Cc1ccc(OCC(F)(F)F)nc1)Cc1ccccc1O ZINC001144356305 1137277934 /nfs/dbraw/zinc/27/79/34/1137277934.db2.gz NFCOSAJJWIKGTB-UHFFFAOYSA-N 0 3 340.345 3.750 20 10 EHCDHN CN(C)C[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000865655117 1137302287 /nfs/dbraw/zinc/30/22/87/1137302287.db2.gz AMXQWSFLCVAWIP-INIZCTEOSA-N 0 3 338.373 3.804 20 10 EHCDHN CCCN(Cc1ccccc1O)Cc1cc(OC)c(OC)cc1F ZINC000845906875 1137319539 /nfs/dbraw/zinc/31/95/39/1137319539.db2.gz NEXWDFJJOWETJI-UHFFFAOYSA-N 0 3 333.403 3.961 20 10 EHCDHN CCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000846052192 1137330740 /nfs/dbraw/zinc/33/07/40/1137330740.db2.gz MDZFFFYLQIZUQA-QGZVFWFLSA-N 0 3 347.459 3.586 20 10 EHCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1C(C)C ZINC000794903636 1137332664 /nfs/dbraw/zinc/33/26/64/1137332664.db2.gz VCXPGKDLHAEYIU-UZLBHIALSA-N 0 3 333.472 3.594 20 10 EHCDHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001144808419 1137351433 /nfs/dbraw/zinc/35/14/33/1137351433.db2.gz VHVAIEQQRDQHFS-INIZCTEOSA-N 0 3 345.874 3.572 20 10 EHCDHN C[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000866406815 1137352424 /nfs/dbraw/zinc/35/24/24/1137352424.db2.gz IINNVMPIYDIFOL-ZUZCIYMTSA-N 0 3 343.320 3.934 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000866535964 1137362558 /nfs/dbraw/zinc/36/25/58/1137362558.db2.gz JPTNVSNPUHIQLO-CABCVRRESA-N 0 3 347.480 3.558 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000876679114 1137658973 /nfs/dbraw/zinc/65/89/73/1137658973.db2.gz VHKGFZRZBGGIIY-UHFFFAOYSA-N 0 3 342.414 3.690 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000877123812 1137670742 /nfs/dbraw/zinc/67/07/42/1137670742.db2.gz OTXSDPZNMLJENJ-PKOBYXMFSA-N 0 3 332.394 3.514 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000877167746 1137671996 /nfs/dbraw/zinc/67/19/96/1137671996.db2.gz IEVGKADEAWRFGM-UHFFFAOYSA-N 0 3 329.465 3.826 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000877304240 1137673943 /nfs/dbraw/zinc/67/39/43/1137673943.db2.gz WQBFJMCTSZKDPF-UHFFFAOYSA-N 0 3 341.386 3.612 20 10 EHCDHN Cc1cccc(CC2(O)CC[NH+](Cc3ccc(C)cc3[O-])CC2)c1 ZINC000877491062 1137678408 /nfs/dbraw/zinc/67/84/08/1137678408.db2.gz NGKSHELYMZYVDB-UHFFFAOYSA-N 0 3 325.452 3.579 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c([O-])c1 ZINC000877498064 1137678776 /nfs/dbraw/zinc/67/87/76/1137678776.db2.gz JPXYPDDKMFDQCP-QGZVFWFLSA-N 0 3 325.456 3.613 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c([O-])c1 ZINC000877498064 1137678777 /nfs/dbraw/zinc/67/87/77/1137678777.db2.gz JPXYPDDKMFDQCP-QGZVFWFLSA-N 0 3 325.456 3.613 20 10 EHCDHN C[C@H](NCc1c(Cl)cccc1N1CCOCC1)c1ccccc1O ZINC000877757964 1137688464 /nfs/dbraw/zinc/68/84/64/1137688464.db2.gz AXSHPUCMKSYPFB-AWEZNQCLSA-N 0 3 346.858 3.733 20 10 EHCDHN CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000877835989 1137692824 /nfs/dbraw/zinc/69/28/24/1137692824.db2.gz KPAGTUINEYSFDF-SFHVURJKSA-N 0 3 341.451 3.564 20 10 EHCDHN CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000877835989 1137692825 /nfs/dbraw/zinc/69/28/25/1137692825.db2.gz KPAGTUINEYSFDF-SFHVURJKSA-N 0 3 341.451 3.564 20 10 EHCDHN CCN(C(=O)C[NH2+][C@H](C)c1ccccc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000879648575 1137753597 /nfs/dbraw/zinc/75/35/97/1137753597.db2.gz UOOTVXJEQRLPAF-CABCVRRESA-N 0 3 344.430 3.792 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000879651290 1137753746 /nfs/dbraw/zinc/75/37/46/1137753746.db2.gz QIDUCRNNRYKNLA-DZKIICNBSA-N 0 3 344.480 3.857 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1[O-] ZINC000879652028 1137754005 /nfs/dbraw/zinc/75/40/05/1137754005.db2.gz UNFBMDVGEWTAFC-INIZCTEOSA-N 0 3 338.451 3.869 20 10 EHCDHN C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879652356 1137754042 /nfs/dbraw/zinc/75/40/42/1137754042.db2.gz YYMUXLPTPGSCEF-HNAYVOBHSA-N 0 3 338.451 3.579 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884483267 1137960975 /nfs/dbraw/zinc/96/09/75/1137960975.db2.gz QMETYIMRDDAYTA-YWZLYKJASA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884483267 1137960976 /nfs/dbraw/zinc/96/09/76/1137960976.db2.gz QMETYIMRDDAYTA-YWZLYKJASA-N 0 3 327.424 3.555 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1[O-] ZINC000886766887 1138136016 /nfs/dbraw/zinc/13/60/16/1138136016.db2.gz UEERWTVTDIMWEM-SDCOAXJVSA-N 0 3 339.863 3.731 20 10 EHCDHN CC[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000090666440 1138212670 /nfs/dbraw/zinc/21/26/70/1138212670.db2.gz RBWYOTFPWLJTJC-OAHLLOKOSA-N 0 3 340.393 3.746 20 10 EHCDHN CC(=O)NC1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263685493 1138342538 /nfs/dbraw/zinc/34/25/38/1138342538.db2.gz NOQIQTSJQWWDSM-UHFFFAOYSA-N 0 3 338.451 3.596 20 10 EHCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2ccc(COC)o2)c1 ZINC000137071117 1138831704 /nfs/dbraw/zinc/83/17/04/1138831704.db2.gz RSTUSSNGYUYGIF-KRWDZBQOSA-N 0 3 331.412 3.867 20 10 EHCDHN CN(Cc1cn(C)nc1C(F)(F)F)Cc1c(O)ccc2ccccc21 ZINC000138041278 1138885162 /nfs/dbraw/zinc/88/51/62/1138885162.db2.gz ZPVNFCMXUHIKFC-UHFFFAOYSA-N 0 3 349.356 3.930 20 10 EHCDHN Cn1cc(C[N@H+](C)Cc2c([O-])ccc3ccccc32)c(C(F)(F)F)n1 ZINC000138041278 1138885166 /nfs/dbraw/zinc/88/51/66/1138885166.db2.gz ZPVNFCMXUHIKFC-UHFFFAOYSA-N 0 3 349.356 3.930 20 10 EHCDHN Cn1cc(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)c(C(F)(F)F)n1 ZINC000138041278 1138885171 /nfs/dbraw/zinc/88/51/71/1138885171.db2.gz ZPVNFCMXUHIKFC-UHFFFAOYSA-N 0 3 349.356 3.930 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000151787458 1139056688 /nfs/dbraw/zinc/05/66/88/1139056688.db2.gz SOJZLYLZAYAUIA-UHFFFAOYSA-N 0 3 338.373 3.615 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000151787458 1139056696 /nfs/dbraw/zinc/05/66/96/1139056696.db2.gz SOJZLYLZAYAUIA-UHFFFAOYSA-N 0 3 338.373 3.615 20 10 EHCDHN Cc1cc(Cl)cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182106941 1139951026 /nfs/dbraw/zinc/95/10/26/1139951026.db2.gz IXAFEAADRJJORW-KSFYIVLOSA-N 0 3 337.872 3.563 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000182106941 1139951027 /nfs/dbraw/zinc/95/10/27/1139951027.db2.gz IXAFEAADRJJORW-KSFYIVLOSA-N 0 3 337.872 3.563 20 10 EHCDHN C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000183544194 1140045451 /nfs/dbraw/zinc/04/54/51/1140045451.db2.gz MOTDQNSYMCFODM-ZDUSSCGKSA-N 0 3 330.394 3.707 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)CC1 ZINC000184273600 1140091877 /nfs/dbraw/zinc/09/18/77/1140091877.db2.gz QHKKNKSYCIFOCS-UHFFFAOYSA-N 0 3 348.450 3.562 20 10 EHCDHN CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185077697 1140135156 /nfs/dbraw/zinc/13/51/56/1140135156.db2.gz HHKZXTLJRYCXIF-HNNXBMFYSA-N 0 3 332.488 3.778 20 10 EHCDHN COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185999775 1140182234 /nfs/dbraw/zinc/18/22/34/1140182234.db2.gz HENVZAZZVQRLNS-SUMWQHHRSA-N 0 3 331.387 3.876 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cc(F)ccc1[O-] ZINC000186196737 1140191794 /nfs/dbraw/zinc/19/17/94/1140191794.db2.gz HKYKKZNNJBZDOH-ABKXIKBNSA-N 0 3 327.758 3.708 20 10 EHCDHN CCOCc1cc(CNCc2ccc(C(C)(C)O)cc2)ccc1OC ZINC000187497458 1140257889 /nfs/dbraw/zinc/25/78/89/1140257889.db2.gz RLFJUZOXMBCOAX-UHFFFAOYSA-N 0 3 343.467 3.749 20 10 EHCDHN CCOc1cccc(CN[C@H](COC)c2ccc(Cl)cc2)c1O ZINC000193277737 1140569693 /nfs/dbraw/zinc/56/96/93/1140569693.db2.gz YNBYXISZTWORFV-MRXNPFEDSA-N 0 3 335.831 3.922 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000271274379 1141337273 /nfs/dbraw/zinc/33/72/73/1141337273.db2.gz OCMHJFSYIQEWHQ-QFBILLFUSA-N 0 3 345.439 3.862 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000271274379 1141337279 /nfs/dbraw/zinc/33/72/79/1141337279.db2.gz OCMHJFSYIQEWHQ-QFBILLFUSA-N 0 3 345.439 3.862 20 10 EHCDHN [O-]c1ccccc1C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000271448870 1141369478 /nfs/dbraw/zinc/36/94/78/1141369478.db2.gz UFNFRRCQKYBPKM-LJQANCHMSA-N 0 3 331.843 3.991 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000376863692 1017166387 /nfs/dbraw/zinc/16/63/87/1017166387.db2.gz GMMJLRQKPKKSAX-ZIAGYGMSSA-N 0 3 332.394 3.848 20 10 EHCDHN Cc1ccncc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000377073108 1017303445 /nfs/dbraw/zinc/30/34/45/1017303445.db2.gz MPDDHTPKPZYVMV-SFHVURJKSA-N 0 3 345.874 3.503 20 10 EHCDHN CCN(CC)c1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000172616439 1032816741 /nfs/dbraw/zinc/81/67/41/1032816741.db2.gz HJIPIROBUULNAP-UHFFFAOYSA-N 0 3 339.483 3.524 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(C)cc1[O-] ZINC000280108284 1020090267 /nfs/dbraw/zinc/09/02/67/1020090267.db2.gz NLWBZSIPMXNRMT-IBGZPJMESA-N 0 3 336.439 3.581 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(C)cc1[O-] ZINC000280156255 1020134925 /nfs/dbraw/zinc/13/49/25/1020134925.db2.gz QLBPHBYTAPOSQF-HXUWFJFHSA-N 0 3 339.483 3.801 20 10 EHCDHN CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@H]1O ZINC000275996585 1020144896 /nfs/dbraw/zinc/14/48/96/1020144896.db2.gz OIBOQCLZOHIVBK-HXUWFJFHSA-N 0 3 341.451 3.564 20 10 EHCDHN CC1(C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@H]1O ZINC000275996585 1020144903 /nfs/dbraw/zinc/14/49/03/1020144903.db2.gz OIBOQCLZOHIVBK-HXUWFJFHSA-N 0 3 341.451 3.564 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C1CCCC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892011944 1024329338 /nfs/dbraw/zinc/32/93/38/1024329338.db2.gz IONOIEMSWSOIJX-MSOLQXFVSA-N 0 3 349.446 3.771 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C1CCCC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892011944 1024329353 /nfs/dbraw/zinc/32/93/53/1024329353.db2.gz IONOIEMSWSOIJX-MSOLQXFVSA-N 0 3 349.446 3.771 20 10 EHCDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c(C2CC2)n1 ZINC000892011747 1024343694 /nfs/dbraw/zinc/34/36/94/1024343694.db2.gz FFBAOYNHNHGISS-UHFFFAOYSA-N 0 3 325.456 3.948 20 10 EHCDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c(C2CC2)n1 ZINC000892011747 1024343707 /nfs/dbraw/zinc/34/37/07/1024343707.db2.gz FFBAOYNHNHGISS-UHFFFAOYSA-N 0 3 325.456 3.948 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CC)CS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000156881347 1024634507 /nfs/dbraw/zinc/63/45/07/1024634507.db2.gz DMKRALZQCVTZNA-MAUKXSAKSA-N 0 3 347.480 3.685 20 10 EHCDHN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000156938377 1024659130 /nfs/dbraw/zinc/65/91/30/1024659130.db2.gz KEHBRQGPUAZSGK-IAGOWNOFSA-N 0 3 340.467 3.944 20 10 EHCDHN COc1ccc(CN[C@H](Cc2nc(C)no2)c2ccccc2)cc1C ZINC000277356164 1024752077 /nfs/dbraw/zinc/75/20/77/1024752077.db2.gz AHVBSAINXYWZTI-GOSISDBHSA-N 0 3 337.423 3.769 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC(C2([NH2+]Cc3ccccc3[O-])CC2)CC1 ZINC000897964483 1033262209 /nfs/dbraw/zinc/26/22/09/1033262209.db2.gz DOKKZZLWISFFSM-UHFFFAOYSA-N 0 3 346.471 3.662 20 10 EHCDHN COc1cc(O)c(CN[C@H](c2ncccc2C)C(C)(C)C)cc1OC ZINC000897994321 1033266467 /nfs/dbraw/zinc/26/64/67/1033266467.db2.gz FWSFQHPVAZTDTI-LJQANCHMSA-N 0 3 344.455 3.990 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000157951377 1025233188 /nfs/dbraw/zinc/23/31/88/1025233188.db2.gz GJDDHWGHPICQGJ-KRWDZBQOSA-N 0 3 326.396 3.590 20 10 EHCDHN COc1cc(Cl)cc(CNCc2nccc3c2CCCC3)c1O ZINC000896282756 1025315382 /nfs/dbraw/zinc/31/53/82/1025315382.db2.gz VMQPQZCEDXLZJB-UHFFFAOYSA-N 0 3 332.831 3.618 20 10 EHCDHN C[C@@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000896639547 1025792591 /nfs/dbraw/zinc/79/25/91/1025792591.db2.gz VXELNWKVHBKSGK-WBVHZDCISA-N 0 3 328.431 3.532 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000158558138 1026121245 /nfs/dbraw/zinc/12/12/45/1026121245.db2.gz XNQFZHRFILLWOY-MAUKXSAKSA-N 0 3 347.480 3.604 20 10 EHCDHN CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000158558437 1026121777 /nfs/dbraw/zinc/12/17/77/1026121777.db2.gz XNQFZHRFILLWOY-CRAIPNDOSA-N 0 3 347.480 3.604 20 10 EHCDHN CCc1onc(C)c1CNCc1cc(Br)cc(C)c1O ZINC000897337536 1028594289 /nfs/dbraw/zinc/59/42/89/1028594289.db2.gz WRXZNZYZBKIEDW-UHFFFAOYSA-N 0 3 339.233 3.612 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000271807472 1029181285 /nfs/dbraw/zinc/18/12/85/1029181285.db2.gz KHTWHDCDOJJKTQ-HUUCEWRRSA-N 0 3 342.277 3.756 20 10 EHCDHN CCOc1cccc(CN[C@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898176987 1033377977 /nfs/dbraw/zinc/37/79/77/1033377977.db2.gz HYLJQQYGORPDIT-CQSZACIVSA-N 0 3 329.444 3.638 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)CCOc2ccccc2F)c1[O-] ZINC000761184118 1034299072 /nfs/dbraw/zinc/29/90/72/1034299072.db2.gz QGVRGNOUSQGJMB-UHFFFAOYSA-N 0 3 339.794 3.704 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCOc2ccccc2F)c1[O-] ZINC000761184118 1034299094 /nfs/dbraw/zinc/29/90/94/1034299094.db2.gz QGVRGNOUSQGJMB-UHFFFAOYSA-N 0 3 339.794 3.704 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCC2CCC(OC)CC2)c1[O-] ZINC000761216988 1034587395 /nfs/dbraw/zinc/58/73/95/1034587395.db2.gz TXOICDJJYVMIEP-UHFFFAOYSA-N 0 3 327.852 3.739 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000186195649 1035601356 /nfs/dbraw/zinc/60/13/56/1035601356.db2.gz HWTRNXAYOJZADL-APWZRJJASA-N 0 3 338.451 3.542 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc([S@](C)=O)cc2)cc1 ZINC000181250204 1037475767 /nfs/dbraw/zinc/47/57/67/1037475767.db2.gz XLEPFBFGFQEBRF-WNSKOXEYSA-N 0 3 330.497 3.731 20 10 EHCDHN CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cc(F)ccc1[O-] ZINC000180229276 1038091939 /nfs/dbraw/zinc/09/19/39/1038091939.db2.gz XIDJOBFOTFQTTP-UHFFFAOYSA-N 0 3 336.373 3.628 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167733774 1038367908 /nfs/dbraw/zinc/36/79/08/1038367908.db2.gz CZXMUYDPJSAIRU-GOEBONIOSA-N 0 3 334.460 3.517 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167733774 1038367921 /nfs/dbraw/zinc/36/79/21/1038367921.db2.gz CZXMUYDPJSAIRU-GOEBONIOSA-N 0 3 334.460 3.517 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000759823968 1040961820 /nfs/dbraw/zinc/96/18/20/1040961820.db2.gz LJUJNXFXBQPLOT-QGZVFWFLSA-N 0 3 331.506 3.997 20 10 EHCDHN COc1cccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCCC2)c1 ZINC000183381053 1125543350 /nfs/dbraw/zinc/54/33/50/1125543350.db2.gz FALOMVYERXGNPL-OXQOHEQNSA-N 0 3 340.467 3.889 20 10 EHCDHN COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000183518287 1125586074 /nfs/dbraw/zinc/58/60/74/1125586074.db2.gz LQFDMTKNMRYSOD-CVEARBPZSA-N 0 3 326.440 3.720 20 10 EHCDHN COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000183632763 1125624346 /nfs/dbraw/zinc/62/43/46/1125624346.db2.gz HMHGEKWFXHEXTQ-CABCVRRESA-N 0 3 329.440 3.939 20 10 EHCDHN C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cc(F)ccc1[O-] ZINC000185073715 1126751063 /nfs/dbraw/zinc/75/10/63/1126751063.db2.gz OLTBADGRNJSIFC-AWEZNQCLSA-N 0 3 346.421 3.986 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185400252 1126885905 /nfs/dbraw/zinc/88/59/05/1126885905.db2.gz MPJOOUXPRPFKSN-JSGCOSHPSA-N 0 3 338.423 3.581 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2C(F)(F)F)c([O-])c1 ZINC000186145695 1127354809 /nfs/dbraw/zinc/35/48/09/1127354809.db2.gz LFURXKDCPMROAR-GFCCVEGCSA-N 0 3 340.345 3.844 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCOc2ncccc2C(F)(F)F)c([O-])c1 ZINC000186145714 1127354849 /nfs/dbraw/zinc/35/48/49/1127354849.db2.gz LFURXKDCPMROAR-LBPRGKRZSA-N 0 3 340.345 3.844 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCc2ccccc2C1 ZINC000919951912 1123243541 /nfs/dbraw/zinc/24/35/41/1123243541.db2.gz WOWKOMXDXKXAIW-GOSISDBHSA-N 0 3 339.435 3.890 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCc2ccccc2C1 ZINC000919951912 1123243545 /nfs/dbraw/zinc/24/35/45/1123243545.db2.gz WOWKOMXDXKXAIW-GOSISDBHSA-N 0 3 339.435 3.890 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000179950291 1123905339 /nfs/dbraw/zinc/90/53/39/1123905339.db2.gz DKLQSQCYQOCAMW-UHFFFAOYSA-N 0 3 329.415 3.755 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C2CCC3(CC3)CC2)c1[O-] ZINC000766212249 1131312036 /nfs/dbraw/zinc/31/20/36/1131312036.db2.gz GBPYNUUWIZOZPS-UHFFFAOYSA-N 0 3 340.261 3.976 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000700641865 1130053479 /nfs/dbraw/zinc/05/34/79/1130053479.db2.gz SIEDOIINHYBFPI-PBHICJAKSA-N 0 3 346.421 3.671 20 10 EHCDHN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N(C)C ZINC000730283926 1130693089 /nfs/dbraw/zinc/69/30/89/1130693089.db2.gz XRTZQMTVDLVAFN-FQEVSTJZSA-N 0 3 345.531 3.658 20 10 EHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NCC1CCCCC1 ZINC000731848071 1130849263 /nfs/dbraw/zinc/84/92/63/1130849263.db2.gz QMBUWEPNABHQTL-UHFFFAOYSA-N 0 3 344.499 3.833 20 10 EHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NCC1CCCCC1 ZINC000731848071 1130849268 /nfs/dbraw/zinc/84/92/68/1130849268.db2.gz QMBUWEPNABHQTL-UHFFFAOYSA-N 0 3 344.499 3.833 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c([O-])c1 ZINC000742377510 1131718530 /nfs/dbraw/zinc/71/85/30/1131718530.db2.gz NDMPKPREPGGWDM-SFHVURJKSA-N 0 3 335.831 3.922 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC1CCCCC1 ZINC000743870217 1131995112 /nfs/dbraw/zinc/99/51/12/1131995112.db2.gz LXPGWLNHTQBCPT-INIZCTEOSA-N 0 3 332.488 3.689 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC1CCCCC1 ZINC000743870217 1131995120 /nfs/dbraw/zinc/99/51/20/1131995120.db2.gz LXPGWLNHTQBCPT-INIZCTEOSA-N 0 3 332.488 3.689 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000743870490 1131995571 /nfs/dbraw/zinc/99/55/71/1131995571.db2.gz UCUXFBDLUNACCZ-MRXNPFEDSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000743870490 1131995576 /nfs/dbraw/zinc/99/55/76/1131995576.db2.gz UCUXFBDLUNACCZ-MRXNPFEDSA-N 0 3 332.488 3.784 20 10 EHCDHN CN(C)c1cc(F)c(CNCCOc2cccc(Cl)c2)cc1F ZINC001177411701 1133062910 /nfs/dbraw/zinc/06/29/10/1133062910.db2.gz OWVUHXQGWJWGCW-UHFFFAOYSA-N 0 3 340.801 3.853 20 10 EHCDHN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000768246493 1133116771 /nfs/dbraw/zinc/11/67/71/1133116771.db2.gz XNQUDUVQRQFOJK-SFHVURJKSA-N 0 3 330.859 3.752 20 10 EHCDHN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000768246493 1133116774 /nfs/dbraw/zinc/11/67/74/1133116774.db2.gz XNQUDUVQRQFOJK-SFHVURJKSA-N 0 3 330.859 3.752 20 10 EHCDHN CC(C)[N@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440302 1133139461 /nfs/dbraw/zinc/13/94/61/1133139461.db2.gz VNLCHGYMHLSALO-GOSISDBHSA-N 0 3 347.842 3.882 20 10 EHCDHN CC(C)[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440302 1133139462 /nfs/dbraw/zinc/13/94/62/1133139462.db2.gz VNLCHGYMHLSALO-GOSISDBHSA-N 0 3 347.842 3.882 20 10 EHCDHN COC(=O)Nc1cccc(CNCc2c(C)c3ccccc3n2C)c1 ZINC001178695153 1133192031 /nfs/dbraw/zinc/19/20/31/1133192031.db2.gz VUOMDLFHFXFSFK-UHFFFAOYSA-N 0 3 337.423 3.955 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CCC2CC2)c1[O-] ZINC000768951983 1133212389 /nfs/dbraw/zinc/21/23/89/1133212389.db2.gz ISSZRAMRQBPZIZ-SNVBAGLBSA-N 0 3 328.250 3.832 20 10 EHCDHN COc1ccc(C[C@H]2CCC[N@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000769396172 1133286799 /nfs/dbraw/zinc/28/67/99/1133286799.db2.gz XDTVRRHIMFXOSU-QGZVFWFLSA-N 0 3 341.451 3.864 20 10 EHCDHN COc1ccc(C[C@H]2CCC[N@@H+](Cc3cccc(OC)c3[O-])C2)cc1 ZINC000769396172 1133286802 /nfs/dbraw/zinc/28/68/02/1133286802.db2.gz XDTVRRHIMFXOSU-QGZVFWFLSA-N 0 3 341.451 3.864 20 10 EHCDHN CCOc1ccc(CNC(C)(C)c2nc3ccccc3n2C)c(O)c1 ZINC000769923704 1133360788 /nfs/dbraw/zinc/36/07/88/1133360788.db2.gz MVOAKOKYCLSRQQ-UHFFFAOYSA-N 0 3 339.439 3.703 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000770305655 1133409266 /nfs/dbraw/zinc/40/92/66/1133409266.db2.gz GZBRFPJMZAVNIT-LLVKDONJSA-N 0 3 328.250 3.641 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000770305655 1133409268 /nfs/dbraw/zinc/40/92/68/1133409268.db2.gz GZBRFPJMZAVNIT-LLVKDONJSA-N 0 3 328.250 3.641 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350934 1133419173 /nfs/dbraw/zinc/41/91/73/1133419173.db2.gz QRAMLNFVMSKUDN-VBKZILBWSA-N 0 3 327.424 3.615 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350934 1133419177 /nfs/dbraw/zinc/41/91/77/1133419177.db2.gz QRAMLNFVMSKUDN-VBKZILBWSA-N 0 3 327.424 3.615 20 10 EHCDHN [O-]c1ccccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000770509456 1133435709 /nfs/dbraw/zinc/43/57/09/1133435709.db2.gz MWJIQTIQTBDMOI-UHFFFAOYSA-N 0 3 336.357 3.733 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001182941292 1133750140 /nfs/dbraw/zinc/75/01/40/1133750140.db2.gz LXFWODQKEBRNEY-CZUORRHYSA-N 0 3 341.304 3.556 20 10 EHCDHN COc1cc(C)c(C[NH2+]CC2CCc3ccccc3CC2)c([O-])c1 ZINC001183053083 1133763724 /nfs/dbraw/zinc/76/37/24/1133763724.db2.gz GYWDQHQOCCAMJG-UHFFFAOYSA-N 0 3 325.452 3.994 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000787331364 1133991016 /nfs/dbraw/zinc/99/10/16/1133991016.db2.gz IGSBNVLAXBUJKB-HNNXBMFYSA-N 0 3 344.213 3.970 20 10 EHCDHN C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ccccc1[O-] ZINC000775203112 1134516685 /nfs/dbraw/zinc/51/66/85/1134516685.db2.gz JVZDKTXSWQUZPS-MRXNPFEDSA-N 0 3 333.435 3.651 20 10 EHCDHN C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccccc1[O-] ZINC000775203112 1134516689 /nfs/dbraw/zinc/51/66/89/1134516689.db2.gz JVZDKTXSWQUZPS-MRXNPFEDSA-N 0 3 333.435 3.651 20 10 EHCDHN CC(C)N(C)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756396212 1134630703 /nfs/dbraw/zinc/63/07/03/1134630703.db2.gz HQPRDELKWKINPB-LLVKDONJSA-N 0 3 347.272 3.675 20 10 EHCDHN Cc1cc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)n(C)n1 ZINC000793544280 1134952679 /nfs/dbraw/zinc/95/26/79/1134952679.db2.gz XSNINQAKYJIROU-KRWDZBQOSA-N 0 3 326.488 3.816 20 10 EHCDHN COc1ccc(N2CCN(CCCc3cccc(C)c3)CC2)cc1F ZINC001192107637 1134966296 /nfs/dbraw/zinc/96/62/96/1134966296.db2.gz JXCKUJGYLVYJFZ-UHFFFAOYSA-N 0 3 342.458 3.898 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC001193838162 1135184491 /nfs/dbraw/zinc/18/44/91/1135184491.db2.gz GNZXXAWATIPGTP-LJQANCHMSA-N 0 3 344.499 3.928 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC001193838162 1135184494 /nfs/dbraw/zinc/18/44/94/1135184494.db2.gz GNZXXAWATIPGTP-LJQANCHMSA-N 0 3 344.499 3.928 20 10 EHCDHN Cc1cccc(CN2CCN(c3ccc4ccccc4n3)CC2)c1O ZINC000775659640 1135434103 /nfs/dbraw/zinc/43/41/03/1135434103.db2.gz ZXEXYATXHLKTCA-UHFFFAOYSA-N 0 3 333.435 3.571 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000775713774 1135556455 /nfs/dbraw/zinc/55/64/55/1135556455.db2.gz JCZGRYJFKBKVOQ-UHFFFAOYSA-N 0 3 342.867 3.701 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000775713774 1135556457 /nfs/dbraw/zinc/55/64/57/1135556457.db2.gz JCZGRYJFKBKVOQ-UHFFFAOYSA-N 0 3 342.867 3.701 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c([O-])c1 ZINC000808437490 1135667389 /nfs/dbraw/zinc/66/73/89/1135667389.db2.gz PWFCKUWWGVLTCG-OXQOHEQNSA-N 0 3 340.467 3.544 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000808682050 1135710804 /nfs/dbraw/zinc/71/08/04/1135710804.db2.gz MQPMCVHEAULJFM-KBPBESRZSA-N 0 3 346.858 3.710 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1[O-] ZINC000808672321 1135713712 /nfs/dbraw/zinc/71/37/12/1135713712.db2.gz JUOIWZWWBYVORZ-OCCSQVGLSA-N 0 3 333.815 3.845 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1[O-] ZINC000808674003 1135714108 /nfs/dbraw/zinc/71/41/08/1135714108.db2.gz MCSRMZVWTYTIBV-ZDUSSCGKSA-N 0 3 346.858 3.907 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000808712972 1135718890 /nfs/dbraw/zinc/71/88/90/1135718890.db2.gz DCGGYENAIDDIHB-NEPJUHHUSA-N 0 3 342.867 3.918 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000808717942 1135720558 /nfs/dbraw/zinc/72/05/58/1135720558.db2.gz IQDBHVQKMAKLDU-NWDGAFQWSA-N 0 3 342.867 3.918 20 10 EHCDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000775834757 1135795988 /nfs/dbraw/zinc/79/59/88/1135795988.db2.gz PSXTZHJFYSDNSB-CYBMUJFWSA-N 0 3 329.400 3.520 20 10 EHCDHN Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000809704221 1135875007 /nfs/dbraw/zinc/87/50/07/1135875007.db2.gz ZZUSTQXFAHHMKO-HXUWFJFHSA-N 0 3 329.415 3.785 20 10 EHCDHN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768278 1135880300 /nfs/dbraw/zinc/88/03/00/1135880300.db2.gz GTDKQZHXEQYZIM-GXFFZTMASA-N 0 3 328.250 3.926 20 10 EHCDHN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768278 1135880304 /nfs/dbraw/zinc/88/03/04/1135880304.db2.gz GTDKQZHXEQYZIM-GXFFZTMASA-N 0 3 328.250 3.926 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cccc3c2OC(C)(C)C3)c1 ZINC000809971915 1135904783 /nfs/dbraw/zinc/90/47/83/1135904783.db2.gz OFGMCTFCPJWCSI-ZDUSSCGKSA-N 0 3 327.424 3.965 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000776013039 1135917838 /nfs/dbraw/zinc/91/78/38/1135917838.db2.gz CXJXFFSNHXSUSM-UHFFFAOYSA-N 0 3 340.467 3.846 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)c1[O-] ZINC000810244914 1135947143 /nfs/dbraw/zinc/94/71/43/1135947143.db2.gz JXQJTADGNOMOKV-QWHCGFSZSA-N 0 3 343.309 3.842 20 10 EHCDHN COc1ccc([C@@H](CCO)NCc2c(C)c3ccccc3n2C)cc1 ZINC001201851089 1136066933 /nfs/dbraw/zinc/06/69/33/1136066933.db2.gz RIGLCADKJIBEHS-LJQANCHMSA-N 0 3 338.451 3.709 20 10 EHCDHN CN(C)c1ccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)cc1 ZINC000776256479 1136112668 /nfs/dbraw/zinc/11/26/68/1136112668.db2.gz BCEULIZZIYNIAT-UHFFFAOYSA-N 0 3 340.467 3.998 20 10 EHCDHN COc1cc(CN[C@H](C)c2cn(C)nc2C)c(O)c(C(C)(C)C)c1 ZINC000850120020 1136212358 /nfs/dbraw/zinc/21/23/58/1136212358.db2.gz TZDXNKVBCWFJCT-GFCCVEGCSA-N 0 3 331.460 3.591 20 10 EHCDHN COCCOCc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000812772827 1136244796 /nfs/dbraw/zinc/24/47/96/1136244796.db2.gz JTGXBXFSOGPPGT-UHFFFAOYSA-N 0 3 349.858 3.807 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnn(-c3ccc(F)cc3)c2)c1 ZINC000813331082 1136318740 /nfs/dbraw/zinc/31/87/40/1136318740.db2.gz KPKOFFZIRUYQEY-CYBMUJFWSA-N 0 3 341.386 3.576 20 10 EHCDHN COCC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000814172975 1136409890 /nfs/dbraw/zinc/40/98/90/1136409890.db2.gz FSACEJMWLDZCRE-UHFFFAOYSA-N 0 3 329.440 3.733 20 10 EHCDHN CN(Cc1ccccc1O)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000111236129 1136525236 /nfs/dbraw/zinc/52/52/36/1136525236.db2.gz ULGPGDWLXRJZNH-UHFFFAOYSA-N 0 3 335.403 3.619 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000111236129 1136525238 /nfs/dbraw/zinc/52/52/38/1136525238.db2.gz ULGPGDWLXRJZNH-UHFFFAOYSA-N 0 3 335.403 3.619 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000111236129 1136525240 /nfs/dbraw/zinc/52/52/40/1136525240.db2.gz ULGPGDWLXRJZNH-UHFFFAOYSA-N 0 3 335.403 3.619 20 10 EHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCC2(COC2)C1 ZINC000853595806 1136547786 /nfs/dbraw/zinc/54/77/86/1136547786.db2.gz XMMKVPBSYGFTOF-UHFFFAOYSA-N 0 3 348.240 3.530 20 10 EHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCC2(COC2)C1 ZINC000853595806 1136547788 /nfs/dbraw/zinc/54/77/88/1136547788.db2.gz XMMKVPBSYGFTOF-UHFFFAOYSA-N 0 3 348.240 3.530 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853610958 1136548616 /nfs/dbraw/zinc/54/86/16/1136548616.db2.gz VULJAFCKXTXDNT-HNAYVOBHSA-N 0 3 331.456 3.610 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853610958 1136548620 /nfs/dbraw/zinc/54/86/20/1136548620.db2.gz VULJAFCKXTXDNT-HNAYVOBHSA-N 0 3 331.456 3.610 20 10 EHCDHN CC[C@@H]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882846 1136559596 /nfs/dbraw/zinc/55/95/96/1136559596.db2.gz VUMKQNFODWEETC-NSISKUIASA-N 0 3 345.531 3.688 20 10 EHCDHN C[C@](O)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815577954 1136613548 /nfs/dbraw/zinc/61/35/48/1136613548.db2.gz DOWLVTFMQCVXMM-FPOVZHCZSA-N 0 3 325.452 3.817 20 10 EHCDHN Cn1cncc1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815617325 1136619445 /nfs/dbraw/zinc/61/94/45/1136619445.db2.gz KUVXAKXCKSJALJ-HXUWFJFHSA-N 0 3 335.451 3.632 20 10 EHCDHN [O-]c1c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc2ccccc21 ZINC000816522248 1136732944 /nfs/dbraw/zinc/73/29/44/1136732944.db2.gz QIKLMIHVZSSURM-KRWDZBQOSA-N 0 3 348.450 3.921 20 10 EHCDHN [O-]c1c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc2ccccc21 ZINC000816522248 1136732947 /nfs/dbraw/zinc/73/29/47/1136732947.db2.gz QIKLMIHVZSSURM-KRWDZBQOSA-N 0 3 348.450 3.921 20 10 EHCDHN Cc1cc(C)c([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000858451952 1136969037 /nfs/dbraw/zinc/96/90/37/1136969037.db2.gz DXXMDCZHSDFYDD-LLVKDONJSA-N 0 3 327.350 3.612 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000858491177 1136972834 /nfs/dbraw/zinc/97/28/34/1136972834.db2.gz ZRDNGFAIMUXSIX-OLZOCXBDSA-N 0 3 330.394 3.794 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000858491178 1136973028 /nfs/dbraw/zinc/97/30/28/1136973028.db2.gz ZRDNGFAIMUXSIX-QWHCGFSZSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1ccc(O)c(CNC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000862754937 1137155984 /nfs/dbraw/zinc/15/59/84/1137155984.db2.gz LUFIIPDLUCIBSB-UHFFFAOYSA-N 0 3 338.451 3.617 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1[O-] ZINC000824953204 1137159281 /nfs/dbraw/zinc/15/92/81/1137159281.db2.gz IGVLRJODQAOQBJ-IRXDYDNUSA-N 0 3 332.831 3.759 20 10 EHCDHN CO[C@H]([C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000825099371 1137163495 /nfs/dbraw/zinc/16/34/95/1137163495.db2.gz YNACYRMXXCQDGD-QVKFZJNVSA-N 0 3 341.451 3.874 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794808534 1137257562 /nfs/dbraw/zinc/25/75/62/1137257562.db2.gz OPYNTTMVCKBKRV-HOCLYGCPSA-N 0 3 334.460 3.751 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794813732 1137262526 /nfs/dbraw/zinc/26/25/26/1137262526.db2.gz IWWOGRKBQJFHIZ-KXBFYZLASA-N 0 3 349.421 3.871 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cc3c(cc2OC)C[C@@H](C)O3)c1O ZINC000846137745 1137338293 /nfs/dbraw/zinc/33/82/93/1137338293.db2.gz GOTSPRRPHUDVLH-CHWSQXEVSA-N 0 3 343.423 3.584 20 10 EHCDHN Cn1ccnc1[C@H](Cc1ccccc1)N[C@@H]1CCc2cccc(O)c21 ZINC000846208451 1137339707 /nfs/dbraw/zinc/33/97/07/1137339707.db2.gz YFBZUMIVONMTBU-MSOLQXFVSA-N 0 3 333.435 3.687 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000866548964 1137364112 /nfs/dbraw/zinc/36/41/12/1137364112.db2.gz XFCZSWNLZJMUMU-HRCADAONSA-N 0 3 348.487 3.963 20 10 EHCDHN C[C@@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccc(N(C)C)cc1 ZINC000866640098 1137372044 /nfs/dbraw/zinc/37/20/44/1137372044.db2.gz CDPMMZLPWYZLNR-CQSZACIVSA-N 0 3 325.456 3.583 20 10 EHCDHN COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001171326162 1137420428 /nfs/dbraw/zinc/42/04/28/1137420428.db2.gz KHJUDNSAXBMAOD-AWEZNQCLSA-N 0 3 343.854 3.970 20 10 EHCDHN COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001171326162 1137420429 /nfs/dbraw/zinc/42/04/29/1137420429.db2.gz KHJUDNSAXBMAOD-AWEZNQCLSA-N 0 3 343.854 3.970 20 10 EHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3F)c2)CC1 ZINC000122300700 1137423986 /nfs/dbraw/zinc/42/39/86/1137423986.db2.gz PFJNEZCMFPXDSS-UHFFFAOYSA-N 0 3 341.430 3.608 20 10 EHCDHN C[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccc(N(C)C)cc1 ZINC000773066602 1137462872 /nfs/dbraw/zinc/46/28/72/1137462872.db2.gz VYVBHCWPUWOVQW-GFCCVEGCSA-N 0 3 332.831 3.986 20 10 EHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000773069355 1137463284 /nfs/dbraw/zinc/46/32/84/1137463284.db2.gz SNJOBAQJIPWTKA-JXFKEZNVSA-N 0 3 343.515 3.727 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872081091 1137570329 /nfs/dbraw/zinc/57/03/29/1137570329.db2.gz UZSWGTOIQGAUNK-LSDHHAIUSA-N 0 3 344.430 3.717 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnc2c(cnn2C)c1 ZINC000876511936 1137654362 /nfs/dbraw/zinc/65/43/62/1137654362.db2.gz XINLEAWRZBYJIF-UHFFFAOYSA-N 0 3 349.482 3.591 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c([O-])c1 ZINC000876959389 1137666221 /nfs/dbraw/zinc/66/62/21/1137666221.db2.gz RLPIOZYBYSOGEK-HXUWFJFHSA-N 0 3 325.408 3.713 20 10 EHCDHN CCc1cccc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1O ZINC000877663669 1137684959 /nfs/dbraw/zinc/68/49/59/1137684959.db2.gz FJRLSXBHZYFRJL-INIZCTEOSA-N 0 3 339.357 3.797 20 10 EHCDHN C[C@@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877755894 1137688155 /nfs/dbraw/zinc/68/81/55/1137688155.db2.gz RUCHVKKUOSZZHK-WLYUNCDWSA-N 0 3 334.460 3.736 20 10 EHCDHN Cc1nn2c(C[NH2+][C@H](C)c3ccccc3[O-])c(C(C)C)nc2s1 ZINC000877756340 1137688375 /nfs/dbraw/zinc/68/83/75/1137688375.db2.gz IAGPRIBVJZNFKX-LLVKDONJSA-N 0 3 330.457 3.779 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000877783700 1137689738 /nfs/dbraw/zinc/68/97/38/1137689738.db2.gz DHZOYZTZMPYBCW-AWEZNQCLSA-N 0 3 329.444 3.627 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000877783700 1137689739 /nfs/dbraw/zinc/68/97/39/1137689739.db2.gz DHZOYZTZMPYBCW-AWEZNQCLSA-N 0 3 329.444 3.627 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)c1ccccc1 ZINC000877832694 1137692761 /nfs/dbraw/zinc/69/27/61/1137692761.db2.gz PQEUSQNNYAKVJW-DOTOQJQBSA-N 0 3 335.831 3.656 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000879649243 1137753619 /nfs/dbraw/zinc/75/36/19/1137753619.db2.gz OKHRDZXKAJRRIG-BFHYXJOUSA-N 0 3 346.858 3.962 20 10 EHCDHN CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651432 1137753838 /nfs/dbraw/zinc/75/38/38/1137753838.db2.gz VICAOHNWECCLGN-ZDUSSCGKSA-N 0 3 330.453 3.794 20 10 EHCDHN CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879652721 1137753927 /nfs/dbraw/zinc/75/39/27/1137753927.db2.gz HGRNFAKNVIJJCV-YWZLYKJASA-N 0 3 326.440 3.556 20 10 EHCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1 ZINC000187243785 1137839466 /nfs/dbraw/zinc/83/94/66/1137839466.db2.gz OIEJOEGLRUHOAD-LJQANCHMSA-N 0 3 326.440 3.585 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(C(OC)OC)ccc2F)c1 ZINC000883156376 1137846566 /nfs/dbraw/zinc/84/65/66/1137846566.db2.gz MOBHICLWRLOZNH-GFCCVEGCSA-N 0 3 349.402 3.682 20 10 EHCDHN COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000120326990 1137948642 /nfs/dbraw/zinc/94/86/42/1137948642.db2.gz GSWPDHQLTRXBRU-YWZLYKJASA-N 0 3 328.456 3.536 20 10 EHCDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000093888736 1138242864 /nfs/dbraw/zinc/24/28/64/1138242864.db2.gz LDCSIGRMXJRHKM-WNSKOXEYSA-N 0 3 330.497 3.683 20 10 EHCDHN C[C@H](NCc1ccc(OCC2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000131306834 1138508584 /nfs/dbraw/zinc/50/85/84/1138508584.db2.gz BUDOYXZFLYZQSP-HNNXBMFYSA-N 0 3 325.456 3.787 20 10 EHCDHN COc1ccc(C2(C[NH2+][C@@H](C)c3ccccc3[O-])CCOCC2)cc1 ZINC000183444963 1140038847 /nfs/dbraw/zinc/03/88/47/1140038847.db2.gz YKDBFPUZSWQRDF-INIZCTEOSA-N 0 3 341.451 3.800 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183633548 1140051419 /nfs/dbraw/zinc/05/14/19/1140051419.db2.gz DDUIDISGASKFLL-QHLBDZCJSA-N 0 3 332.394 3.766 20 10 EHCDHN CC[N@H+](CCc1nccs1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184700143 1140116399 /nfs/dbraw/zinc/11/63/99/1140116399.db2.gz UFBCTJAYPQHUBF-UHFFFAOYSA-N 0 3 326.849 3.575 20 10 EHCDHN CC[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184700143 1140116401 /nfs/dbraw/zinc/11/64/01/1140116401.db2.gz UFBCTJAYPQHUBF-UHFFFAOYSA-N 0 3 326.849 3.575 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)c([O-])c1 ZINC000185054574 1140133844 /nfs/dbraw/zinc/13/38/44/1140133844.db2.gz RKWZPZWCWPOTJJ-INIZCTEOSA-N 0 3 325.456 3.937 20 10 EHCDHN CCC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000185071903 1140135272 /nfs/dbraw/zinc/13/52/72/1140135272.db2.gz BWHHAGVTQOEIEZ-IBGZPJMESA-N 0 3 343.446 3.688 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1cc(F)ccc1[O-] ZINC000185614082 1140158898 /nfs/dbraw/zinc/15/88/98/1140158898.db2.gz RRDFINXCOIQGEO-CYBMUJFWSA-N 0 3 339.414 3.996 20 10 EHCDHN CC(C)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185881725 1140175175 /nfs/dbraw/zinc/17/51/75/1140175175.db2.gz PZDHRGVUGFRWSM-LBPRGKRZSA-N 0 3 341.293 3.678 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000190303754 1140398100 /nfs/dbraw/zinc/39/81/00/1140398100.db2.gz TYIWBQXOJQAQPI-PXNSSMCTSA-N 0 3 341.451 3.612 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c([O-])c1 ZINC000267242951 1140771690 /nfs/dbraw/zinc/77/16/90/1140771690.db2.gz YFDKAPXQHIGNJD-DJJJIMSYSA-N 0 3 333.403 3.532 20 10 EHCDHN CC[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000154964656 1016001908 /nfs/dbraw/zinc/00/19/08/1016001908.db2.gz FASVDBXFUQBSOR-VQTJNVASSA-N 0 3 340.467 3.506 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)c1[O-] ZINC000275141517 1016095413 /nfs/dbraw/zinc/09/54/13/1016095413.db2.gz RNDYZIVFIXOWFO-ZOWXZIJZSA-N 0 3 342.277 3.665 20 10 EHCDHN CC[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000155192279 1016282179 /nfs/dbraw/zinc/28/21/79/1016282179.db2.gz MARBGWREQQWVMK-RBUKOAKNSA-N 0 3 338.451 3.797 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC2(c3ccccn3)CCC2)c1[O-] ZINC000377706660 1018230638 /nfs/dbraw/zinc/23/06/38/1018230638.db2.gz VHAMQDODLZCHQG-UHFFFAOYSA-N 0 3 332.831 3.661 20 10 EHCDHN COc1ccc(CNCc2cc(F)ccc2SC)c(O)c1OC ZINC000893084578 1018412139 /nfs/dbraw/zinc/41/21/39/1018412139.db2.gz CVKIKLCLBMTJFC-UHFFFAOYSA-N 0 3 337.416 3.560 20 10 EHCDHN CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280101617 1020082922 /nfs/dbraw/zinc/08/29/22/1020082922.db2.gz NENCFARPZCEEFM-SFHVURJKSA-N 0 3 347.480 3.605 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCSC2)c1[O-] ZINC000280196083 1020161726 /nfs/dbraw/zinc/16/17/26/1020161726.db2.gz VCUWOUUAOHIPLK-GHMZBOCLSA-N 0 3 330.291 3.867 20 10 EHCDHN CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(C)cc1[O-] ZINC000280203525 1020197635 /nfs/dbraw/zinc/19/76/35/1020197635.db2.gz SWJARWRWEIHHFN-OAHLLOKOSA-N 0 3 332.469 3.623 20 10 EHCDHN CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000834905707 1021105046 /nfs/dbraw/zinc/10/50/46/1021105046.db2.gz VQPNZOOSNXJYOV-USBNGQNGSA-N 0 3 342.277 3.927 20 10 EHCDHN C[C@H](c1cccs1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000157827996 1033036326 /nfs/dbraw/zinc/03/63/26/1033036326.db2.gz CHXOAMXPOVOFOS-CQSZACIVSA-N 0 3 334.460 3.917 20 10 EHCDHN CC(=O)N(C)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000092538352 1023401016 /nfs/dbraw/zinc/40/10/16/1023401016.db2.gz HGQTYFHBVNCBTI-UHFFFAOYSA-N 0 3 338.451 3.502 20 10 EHCDHN Cc1noc(C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])c2ccccc2)n1 ZINC000277151959 1023885699 /nfs/dbraw/zinc/88/56/99/1023885699.db2.gz QIVJASLDWQTLRE-YVEFUNNKSA-N 0 3 341.386 3.857 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000895704308 1024741178 /nfs/dbraw/zinc/74/11/78/1024741178.db2.gz MQVPEKPPINGLDG-QGZVFWFLSA-N 0 3 343.398 3.694 20 10 EHCDHN CCc1cccc2c1OCC[C@H]2NCc1cc(C)cc(OC)c1O ZINC000894245749 1027199902 /nfs/dbraw/zinc/19/99/02/1027199902.db2.gz YVRMEQXKGUKJFF-QGZVFWFLSA-N 0 3 327.424 3.885 20 10 EHCDHN CCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000273298391 1027365413 /nfs/dbraw/zinc/36/54/13/1027365413.db2.gz ASMVEILKWJPZEM-FQEVSTJZSA-N 0 3 325.456 3.549 20 10 EHCDHN COc1cc(O)c(CN(C)[C@@H]2CCCc3nc(C)sc32)cc1OC ZINC000160179296 1030583168 /nfs/dbraw/zinc/58/31/68/1030583168.db2.gz FGAFOUHVNJAFRT-CQSZACIVSA-N 0 3 348.468 3.684 20 10 EHCDHN CC[C@@H](NCc1cc(C(F)(F)F)nn1C)c1ccc(N(C)C)cc1 ZINC000926931562 1031534215 /nfs/dbraw/zinc/53/42/15/1031534215.db2.gz NVBZPXDSGVZGRJ-OAHLLOKOSA-N 0 3 340.393 3.746 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000195136714 1032049429 /nfs/dbraw/zinc/04/94/29/1032049429.db2.gz TVTGWUHIIANSEE-RDJZCZTQSA-N 0 3 328.431 3.704 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000110386578 1033637187 /nfs/dbraw/zinc/63/71/87/1033637187.db2.gz FEXFJQYEFBMRJR-UHFFFAOYSA-N 0 3 337.236 3.944 20 10 EHCDHN Cc1ccc2oc(CNCc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000152101452 1035795422 /nfs/dbraw/zinc/79/54/22/1035795422.db2.gz KRGKVCPEUOWEGX-UHFFFAOYSA-N 0 3 336.435 3.868 20 10 EHCDHN COc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000378397550 1038580565 /nfs/dbraw/zinc/58/05/65/1038580565.db2.gz BHYRWGVJSUVTAM-RDTXWAMCSA-N 0 3 326.440 3.936 20 10 EHCDHN CO[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183000854 1038658915 /nfs/dbraw/zinc/65/89/15/1038658915.db2.gz QUPSMFVHIXFATE-LJQANCHMSA-N 0 3 327.424 3.582 20 10 EHCDHN CO[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183000854 1038658920 /nfs/dbraw/zinc/65/89/20/1038658920.db2.gz QUPSMFVHIXFATE-LJQANCHMSA-N 0 3 327.424 3.582 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927017100 1038677377 /nfs/dbraw/zinc/67/73/77/1038677377.db2.gz VTBLMBWGXUXUCV-HIFRSBDPSA-N 0 3 339.863 3.733 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(C)cc1[O-] ZINC000279918732 1039091808 /nfs/dbraw/zinc/09/18/08/1039091808.db2.gz AAMZKSDLJIESNB-SFHVURJKSA-N 0 3 340.423 3.898 20 10 EHCDHN Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000186291118 1039330164 /nfs/dbraw/zinc/33/01/64/1039330164.db2.gz PPXYSGNTJRXVCO-HXUWFJFHSA-N 0 3 336.435 3.754 20 10 EHCDHN Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000186291118 1039330183 /nfs/dbraw/zinc/33/01/83/1039330183.db2.gz PPXYSGNTJRXVCO-HXUWFJFHSA-N 0 3 336.435 3.754 20 10 EHCDHN COc1cc(C)cc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000894085540 1040043058 /nfs/dbraw/zinc/04/30/58/1040043058.db2.gz PENZMSONISHOHM-JBEBIEQOSA-N 0 3 347.480 3.640 20 10 EHCDHN COc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)c(O)c1OC ZINC000893475054 1042217097 /nfs/dbraw/zinc/21/70/97/1042217097.db2.gz HWDCHLVDGFSJNB-ZYHUDNBSSA-N 0 3 333.350 3.572 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1cc(F)ccc1[O-] ZINC000185017157 1126738953 /nfs/dbraw/zinc/73/89/53/1126738953.db2.gz RCODOZLMWMVYHJ-JTQLQIEISA-N 0 3 344.308 3.718 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000186003561 1127221612 /nfs/dbraw/zinc/22/16/12/1127221612.db2.gz LNTXGASABMOBBA-MGPLVRAMSA-N 0 3 343.320 3.934 20 10 EHCDHN c1cnn(Cc2ccccc2CNCc2ccc3c(c2)CCCO3)c1 ZINC000921513829 1127617309 /nfs/dbraw/zinc/61/73/09/1127617309.db2.gz RGOOEUQJUCIVPJ-UHFFFAOYSA-N 0 3 333.435 3.546 20 10 EHCDHN C[C@H]1CN(Cc2c(O)ccc3ccccc32)CCN1CC(F)(F)F ZINC000762508534 1121333304 /nfs/dbraw/zinc/33/33/04/1121333304.db2.gz OSDDMIQKSMOUAA-ZDUSSCGKSA-N 0 3 338.373 3.614 20 10 EHCDHN CCC[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1[O-] ZINC000171668221 1121367069 /nfs/dbraw/zinc/36/70/69/1121367069.db2.gz UYKVTFAIEPOKPH-UHFFFAOYSA-N 0 3 330.403 3.772 20 10 EHCDHN CCC[N@@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1[O-] ZINC000171668221 1121367078 /nfs/dbraw/zinc/36/70/78/1121367078.db2.gz UYKVTFAIEPOKPH-UHFFFAOYSA-N 0 3 330.403 3.772 20 10 EHCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000762646716 1121396886 /nfs/dbraw/zinc/39/68/86/1121396886.db2.gz BHFWFJPHAQUYIR-RHSMWYFYSA-N 0 3 340.895 3.587 20 10 EHCDHN COc1ccc(N2CCC(NCc3nc(C)c(C)s3)CC2)cc1 ZINC000153889605 1122091348 /nfs/dbraw/zinc/09/13/48/1122091348.db2.gz QCBIJLKMNMFAHU-UHFFFAOYSA-N 0 3 331.485 3.527 20 10 EHCDHN COc1ccc(O)c(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1 ZINC000179609272 1123806239 /nfs/dbraw/zinc/80/62/39/1123806239.db2.gz IBIHPMUAMGRMOU-SFHVURJKSA-N 0 3 343.423 3.755 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCSC1 ZINC000182986469 1125417862 /nfs/dbraw/zinc/41/78/62/1125417862.db2.gz WMUFLQJKKUIZEB-KRWDZBQOSA-N 0 3 329.465 3.909 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCSC1 ZINC000182986469 1125417864 /nfs/dbraw/zinc/41/78/64/1125417864.db2.gz WMUFLQJKKUIZEB-KRWDZBQOSA-N 0 3 329.465 3.909 20 10 EHCDHN COc1ccc(N2CC[C@@H](CNCc3cc(C)cnc3Cl)C2)cc1 ZINC000922197484 1129331733 /nfs/dbraw/zinc/33/17/33/1129331733.db2.gz VEMUSQOEHXKQQT-HNNXBMFYSA-N 0 3 345.874 3.668 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000922329354 1129470413 /nfs/dbraw/zinc/47/04/13/1129470413.db2.gz NSKNWJYMXNNKPV-KFWWJZLASA-N 0 3 334.460 3.736 20 10 EHCDHN CCCC[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1ccccc1[O-] ZINC000282424356 1129776950 /nfs/dbraw/zinc/77/69/50/1129776950.db2.gz JQXFLHUXZNVYGQ-UHFFFAOYSA-N 0 3 336.439 3.775 20 10 EHCDHN CCCC[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1ccccc1[O-] ZINC000282424356 1129776952 /nfs/dbraw/zinc/77/69/52/1129776952.db2.gz JQXFLHUXZNVYGQ-UHFFFAOYSA-N 0 3 336.439 3.775 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)COCc1ccccc1 ZINC000702790746 1130245744 /nfs/dbraw/zinc/24/57/44/1130245744.db2.gz PRHQHEBEKOWQEA-NQIIRXRSSA-N 0 3 341.451 3.591 20 10 EHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCCCC1 ZINC000732204771 1130900586 /nfs/dbraw/zinc/90/05/86/1130900586.db2.gz RKXTWSRLLNQMNH-UHFFFAOYSA-N 0 3 330.472 3.539 20 10 EHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCCCCC1 ZINC000732204771 1130900590 /nfs/dbraw/zinc/90/05/90/1130900590.db2.gz RKXTWSRLLNQMNH-UHFFFAOYSA-N 0 3 330.472 3.539 20 10 EHCDHN C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613792 1131061710 /nfs/dbraw/zinc/06/17/10/1131061710.db2.gz LGBPFOCEMRMJQO-IRXDYDNUSA-N 0 3 344.499 3.926 20 10 EHCDHN C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613792 1131061716 /nfs/dbraw/zinc/06/17/16/1131061716.db2.gz LGBPFOCEMRMJQO-IRXDYDNUSA-N 0 3 344.499 3.926 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@@H]3CC(C)C)c2c1 ZINC000733790094 1131080054 /nfs/dbraw/zinc/08/00/54/1131080054.db2.gz FQMIGQFFBTWONV-INIZCTEOSA-N 0 3 329.440 3.801 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@@H]3CC(C)C)c2c1 ZINC000733790094 1131080059 /nfs/dbraw/zinc/08/00/59/1131080059.db2.gz FQMIGQFFBTWONV-INIZCTEOSA-N 0 3 329.440 3.801 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC4(CCOCC4)C3)c2c1 ZINC000742159124 1131695080 /nfs/dbraw/zinc/69/50/80/1131695080.db2.gz MUGKIYFIJUPQPD-UHFFFAOYSA-N 0 3 341.451 3.947 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC4(CCOCC4)C3)c2c1 ZINC000742159124 1131695084 /nfs/dbraw/zinc/69/50/84/1131695084.db2.gz MUGKIYFIJUPQPD-UHFFFAOYSA-N 0 3 341.451 3.947 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000743870228 1131996188 /nfs/dbraw/zinc/99/61/88/1131996188.db2.gz MCXIJPUODYGODC-LZLYRXPVSA-N 0 3 332.488 3.688 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000743870228 1131996194 /nfs/dbraw/zinc/99/61/94/1131996194.db2.gz MCXIJPUODYGODC-LZLYRXPVSA-N 0 3 332.488 3.688 20 10 EHCDHN CCOc1ccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000768131844 1133099721 /nfs/dbraw/zinc/09/97/21/1133099721.db2.gz AFIQKEQDWSEAEA-UHFFFAOYSA-N 0 3 328.456 3.879 20 10 EHCDHN CCOc1ccc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000768131844 1133099727 /nfs/dbraw/zinc/09/97/27/1133099727.db2.gz AFIQKEQDWSEAEA-UHFFFAOYSA-N 0 3 328.456 3.879 20 10 EHCDHN CCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000768162563 1133103360 /nfs/dbraw/zinc/10/33/60/1133103360.db2.gz QENLRWOTWBVJMM-HXUWFJFHSA-N 0 3 341.451 3.972 20 10 EHCDHN CCOc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000768162563 1133103364 /nfs/dbraw/zinc/10/33/64/1133103364.db2.gz QENLRWOTWBVJMM-HXUWFJFHSA-N 0 3 341.451 3.972 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000768215896 1133113649 /nfs/dbraw/zinc/11/36/49/1133113649.db2.gz OIZJSXLFNRWCOX-UHFFFAOYSA-N 0 3 325.408 3.786 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000768215896 1133113655 /nfs/dbraw/zinc/11/36/55/1133113655.db2.gz OIZJSXLFNRWCOX-UHFFFAOYSA-N 0 3 325.408 3.786 20 10 EHCDHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000768271765 1133119182 /nfs/dbraw/zinc/11/91/82/1133119182.db2.gz ODZUBYBUPNWFNJ-NWDGAFQWSA-N 0 3 334.357 3.654 20 10 EHCDHN CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438514 1133138318 /nfs/dbraw/zinc/13/83/18/1133138318.db2.gz AYEWDGLRFFSSOC-AUUYWEPGSA-N 0 3 327.424 3.619 20 10 EHCDHN CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438514 1133138322 /nfs/dbraw/zinc/13/83/22/1133138322.db2.gz AYEWDGLRFFSSOC-AUUYWEPGSA-N 0 3 327.424 3.619 20 10 EHCDHN CCN(Cc1ccc(Cl)s1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442580 1133139399 /nfs/dbraw/zinc/13/93/99/1133139399.db2.gz UASCPIOFJUIUMY-AWEZNQCLSA-N 0 3 339.844 3.555 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc([Si](C)(C)C)cc2)cc1F ZINC001178843960 1133204020 /nfs/dbraw/zinc/20/40/20/1133204020.db2.gz GSYRRUYQZKGZRP-UHFFFAOYSA-N 0 3 330.523 3.727 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)c([O-])c1 ZINC000769163930 1133237022 /nfs/dbraw/zinc/23/70/22/1133237022.db2.gz GVDWWINEHSAWKN-UHFFFAOYSA-N 0 3 340.467 3.892 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c([O-])c1 ZINC000769242892 1133244380 /nfs/dbraw/zinc/24/43/80/1133244380.db2.gz LYXRHKWGNPSCLW-PZJWPPBQSA-N 0 3 341.451 3.879 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c([O-])c1 ZINC000769242892 1133244387 /nfs/dbraw/zinc/24/43/87/1133244387.db2.gz LYXRHKWGNPSCLW-PZJWPPBQSA-N 0 3 341.451 3.879 20 10 EHCDHN COc1cc(Br)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC000769425477 1133282750 /nfs/dbraw/zinc/28/27/50/1133282750.db2.gz IAQNXSHZZCETIO-RYUDHWBXSA-N 0 3 340.261 3.785 20 10 EHCDHN CCOc1ccc(C[N@H+](CC)C[C@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000769482992 1133287193 /nfs/dbraw/zinc/28/71/93/1133287193.db2.gz KHOQIJHORXUBOT-FQEVSTJZSA-N 0 3 329.440 3.655 20 10 EHCDHN CCOc1ccc(C[N@@H+](CC)C[C@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000769482992 1133287198 /nfs/dbraw/zinc/28/71/98/1133287198.db2.gz KHOQIJHORXUBOT-FQEVSTJZSA-N 0 3 329.440 3.655 20 10 EHCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769469958 1133297979 /nfs/dbraw/zinc/29/79/79/1133297979.db2.gz ILBGLEYKOYDTLH-KFKAGJAMSA-N 0 3 333.472 3.816 20 10 EHCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769469958 1133297983 /nfs/dbraw/zinc/29/79/83/1133297983.db2.gz ILBGLEYKOYDTLH-KFKAGJAMSA-N 0 3 333.472 3.816 20 10 EHCDHN Cc1ccc(C[NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001180305383 1133354787 /nfs/dbraw/zinc/35/47/87/1133354787.db2.gz LOVFTKFKUUPYKY-UHFFFAOYSA-N 0 3 348.487 3.827 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(Cl)c3)c2)CC1 ZINC000770146339 1133393061 /nfs/dbraw/zinc/39/30/61/1133393061.db2.gz HFDNIHKKUNMECF-UHFFFAOYSA-N 0 3 343.858 3.734 20 10 EHCDHN CN(CC(=O)N(Cc1ccccc1)c1ccc(N)cc1)C1CCCC1 ZINC001180629605 1133400592 /nfs/dbraw/zinc/40/05/92/1133400592.db2.gz PXTQOEFZVINBNP-UHFFFAOYSA-N 0 3 337.467 3.676 20 10 EHCDHN COc1ccccc1[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])OC(C)C ZINC001181114186 1133453355 /nfs/dbraw/zinc/45/33/55/1133453355.db2.gz TXZSMTDMRZBVGF-HXUWFJFHSA-N 0 3 329.440 3.965 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000774480799 1133687398 /nfs/dbraw/zinc/68/73/98/1133687398.db2.gz DWCQZIJJPAUJOF-TWMKSMIVSA-N 0 3 331.504 3.581 20 10 EHCDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482393 1133687915 /nfs/dbraw/zinc/68/79/15/1133687915.db2.gz KESSJZXAMSTZRB-LZLYRXPVSA-N 0 3 331.504 3.583 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785558381 1133721879 /nfs/dbraw/zinc/72/18/79/1133721879.db2.gz GMRMBZHNEJEWTL-KKSFZXQISA-N 0 3 342.483 3.880 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c([O-])c1 ZINC000785570096 1133728024 /nfs/dbraw/zinc/72/80/24/1133728024.db2.gz LIJAYPXSCUIANJ-MAUKXSAKSA-N 0 3 330.472 3.675 20 10 EHCDHN CCSC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001183036555 1133760226 /nfs/dbraw/zinc/76/02/26/1133760226.db2.gz QMJGAYBEPQPESR-UHFFFAOYSA-N 0 3 330.291 3.838 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000788564229 1134143299 /nfs/dbraw/zinc/14/32/99/1134143299.db2.gz TWZALDMXNTYMLZ-DOTOQJQBSA-N 0 3 331.431 3.650 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c1[O-] ZINC000789777701 1134334137 /nfs/dbraw/zinc/33/41/37/1134334137.db2.gz AWHXESKUPVXRNU-IEBWSBKVSA-N 0 3 349.858 3.902 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1[O-] ZINC000775129680 1134351745 /nfs/dbraw/zinc/35/17/45/1134351745.db2.gz IQKQNIRCXCDKQU-BZNIZROVSA-N 0 3 336.229 3.539 20 10 EHCDHN CCn1ccc(C[N@H+](C)Cc2cc(Br)cc(C)c2[O-])c1 ZINC000792182506 1134664531 /nfs/dbraw/zinc/66/45/31/1134664531.db2.gz FVJDYUHIRYARRH-UHFFFAOYSA-N 0 3 337.261 3.917 20 10 EHCDHN CCn1ccc(C[N@@H+](C)Cc2cc(Br)cc(C)c2[O-])c1 ZINC000792182506 1134664533 /nfs/dbraw/zinc/66/45/33/1134664533.db2.gz FVJDYUHIRYARRH-UHFFFAOYSA-N 0 3 337.261 3.917 20 10 EHCDHN C[C@@H]1CCSCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000792195675 1134666452 /nfs/dbraw/zinc/66/64/52/1134666452.db2.gz DJNXLUPDNXLYCO-OAHLLOKOSA-N 0 3 349.500 3.913 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000775413045 1134751734 /nfs/dbraw/zinc/75/17/34/1134751734.db2.gz UYJQJXCHGJPTMR-SJORKVTESA-N 0 3 344.842 3.892 20 10 EHCDHN CN(C)c1ccc(CNCc2ccccc2CO)c(C(F)(F)F)c1 ZINC000792932510 1134828985 /nfs/dbraw/zinc/82/89/85/1134828985.db2.gz SQYHKLGQWKXDNL-UHFFFAOYSA-N 0 3 338.373 3.554 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@](C)(O)CC2)c(C(F)(F)F)c1 ZINC000793249484 1134889166 /nfs/dbraw/zinc/88/91/66/1134889166.db2.gz FHNRQQRUCHEPRN-MRXNPFEDSA-N 0 3 330.394 3.508 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c([O-])c1 ZINC000793389058 1134921183 /nfs/dbraw/zinc/92/11/83/1134921183.db2.gz UUONJGRYZXKHIC-UHFFFAOYSA-N 0 3 329.293 3.849 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC2(CCC2)CO1 ZINC001192012770 1134956399 /nfs/dbraw/zinc/95/63/99/1134956399.db2.gz JYYZYMCCVOLHDP-RBUKOAKNSA-N 0 3 345.483 3.723 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC2(CCC2)CO1 ZINC001192012770 1134956404 /nfs/dbraw/zinc/95/64/04/1134956404.db2.gz JYYZYMCCVOLHDP-RBUKOAKNSA-N 0 3 345.483 3.723 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1[O-] ZINC000808686109 1135711678 /nfs/dbraw/zinc/71/16/78/1135711678.db2.gz FTWFGKNBFGPNKX-NSHDSACASA-N 0 3 328.840 3.529 20 10 EHCDHN CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808676008 1135715336 /nfs/dbraw/zinc/71/53/36/1135715336.db2.gz AAKHPNVMZDCALQ-ZDUSSCGKSA-N 0 3 326.868 3.653 20 10 EHCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808716209 1135720341 /nfs/dbraw/zinc/72/03/41/1135720341.db2.gz UBLPHMMZYGJUQF-PBHICJAKSA-N 0 3 333.859 3.917 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000808699057 1135725830 /nfs/dbraw/zinc/72/58/30/1135725830.db2.gz RETLEECOPISGSD-BZNIZROVSA-N 0 3 325.861 3.974 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000809655231 1135866641 /nfs/dbraw/zinc/86/66/41/1135866641.db2.gz FKQINIJAIWSTSV-IBGZPJMESA-N 0 3 329.440 3.640 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1[O-] ZINC000809718834 1135877919 /nfs/dbraw/zinc/87/79/19/1135877919.db2.gz QFUDMXQVBWAGSB-JOCHJYFZSA-N 0 3 337.872 3.522 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219133 1135939128 /nfs/dbraw/zinc/93/91/28/1135939128.db2.gz FQUIMKFXNSMPOI-KYOSRNDESA-N 0 3 330.394 3.934 20 10 EHCDHN CCCOc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1C ZINC001201541931 1136034477 /nfs/dbraw/zinc/03/44/77/1136034477.db2.gz LFUJJWZCPCUTBI-OAQYLSRUSA-N 0 3 325.452 3.707 20 10 EHCDHN OC1CCN(c2ccc(CNCc3ccc(Cl)s3)cc2)CC1 ZINC000850406020 1136251082 /nfs/dbraw/zinc/25/10/82/1136251082.db2.gz OMBGFYLOYDAYQD-UHFFFAOYSA-N 0 3 336.888 3.652 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cccc(F)c3F)C2)cc1 ZINC000850487117 1136269154 /nfs/dbraw/zinc/26/91/54/1136269154.db2.gz GEHLLYFCINGPAA-KBPBESRZSA-N 0 3 332.394 3.903 20 10 EHCDHN Cc1nc(C)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850567337 1136287435 /nfs/dbraw/zinc/28/74/35/1136287435.db2.gz ZZZHMVKZLFZJEJ-CYBMUJFWSA-N 0 3 345.512 3.572 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(OC)cc3c2O[C@H](C)C3)c1 ZINC000813331976 1136319198 /nfs/dbraw/zinc/31/91/98/1136319198.db2.gz YTSKCQFFDVOCDQ-CHWSQXEVSA-N 0 3 343.423 3.584 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@H]1CCc3cc(F)cc(F)c3C1)CCC2 ZINC001170707285 1136336751 /nfs/dbraw/zinc/33/67/51/1136336751.db2.gz TTYYWCOYVDZHFK-INIZCTEOSA-N 0 3 345.389 3.682 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cc3ccccc3n(C)c2=O)cc1 ZINC000813790598 1136363022 /nfs/dbraw/zinc/36/30/22/1136363022.db2.gz SGFPCBURBWMHSG-UHFFFAOYSA-N 0 3 349.478 3.675 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000814178368 1136411948 /nfs/dbraw/zinc/41/19/48/1136411948.db2.gz NFHNIRYUFFNMCV-OAHLLOKOSA-N 0 3 334.822 3.862 20 10 EHCDHN CC1(C)OC[C@H](CC[N@H+](Cc2ccco2)Cc2ccccc2[O-])O1 ZINC000851841189 1136412865 /nfs/dbraw/zinc/41/28/65/1136412865.db2.gz NUQVOWRSIBINDK-KRWDZBQOSA-N 0 3 331.412 3.529 20 10 EHCDHN CC1(C)OC[C@H](CC[N@@H+](Cc2ccco2)Cc2ccccc2[O-])O1 ZINC000851841189 1136412868 /nfs/dbraw/zinc/41/28/68/1136412868.db2.gz NUQVOWRSIBINDK-KRWDZBQOSA-N 0 3 331.412 3.529 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCOCc1ccccc1)C[C@@H]1CCCO1 ZINC000851841696 1136413352 /nfs/dbraw/zinc/41/33/52/1136413352.db2.gz WRUXQMQGXGRMCY-FQEVSTJZSA-N 0 3 341.451 3.590 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCOCc1ccccc1)C[C@@H]1CCCO1 ZINC000851841696 1136413354 /nfs/dbraw/zinc/41/33/54/1136413354.db2.gz WRUXQMQGXGRMCY-FQEVSTJZSA-N 0 3 341.451 3.590 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(c3ccon3)CC2)c1 ZINC000853593471 1136547828 /nfs/dbraw/zinc/54/78/28/1136547828.db2.gz NUXSPVTVLUVCGY-UHFFFAOYSA-N 0 3 330.428 3.763 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCC2(O)CCC2)c1[O-] ZINC000817587560 1136825980 /nfs/dbraw/zinc/82/59/80/1136825980.db2.gz YQOAGBJCTOGKGD-LBPRGKRZSA-N 0 3 342.277 3.809 20 10 EHCDHN Cc1c(C)n(C)c2ccc(OC(=O)C3CCN(C4CC4)CC3)cc12 ZINC000817762182 1136838038 /nfs/dbraw/zinc/83/80/38/1136838038.db2.gz TUGKATYHOGHKMS-UHFFFAOYSA-N 0 3 326.440 3.575 20 10 EHCDHN C[C@@](CO)(NCc1ccccc1O)c1cc(Cl)cc(Cl)c1 ZINC000825130028 1137166606 /nfs/dbraw/zinc/16/66/06/1137166606.db2.gz KPHGZWYQMRRMHV-INIZCTEOSA-N 0 3 326.223 3.696 20 10 EHCDHN CC[C@H]([NH2+]CCNc1cc(OC)cc(OC)c1)c1ccc(C)cc1[O-] ZINC000794820218 1137266875 /nfs/dbraw/zinc/26/68/75/1137266875.db2.gz ZBMUITHJIREINF-IBGZPJMESA-N 0 3 344.455 3.871 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000794830973 1137268201 /nfs/dbraw/zinc/26/82/01/1137268201.db2.gz AXNGIFQNAPVSEF-BXUZGUMPSA-N 0 3 342.277 3.665 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C2CC3(CCC3)C2)c1[O-] ZINC000846107022 1137335729 /nfs/dbraw/zinc/33/57/29/1137335729.db2.gz NIUHCYFAQHZPTJ-UHFFFAOYSA-N 0 3 326.234 3.586 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000846209576 1137339485 /nfs/dbraw/zinc/33/94/85/1137339485.db2.gz FNFZWDQBZIGDFW-GFCCVEGCSA-N 0 3 342.277 3.666 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3ncccc23)c2c1c(F)ccc2[O-] ZINC000866573961 1137366004 /nfs/dbraw/zinc/36/60/04/1137366004.db2.gz PVUOFXUWBLMJJQ-MLGOLLRUSA-N 0 3 339.414 3.799 20 10 EHCDHN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(N2CCCCC2)cc1 ZINC000121230421 1137377226 /nfs/dbraw/zinc/37/72/26/1137377226.db2.gz VXYHRSMINXRVIQ-UHFFFAOYSA-N 0 3 345.531 3.707 20 10 EHCDHN C[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccc(N(C)C)cc1 ZINC000773066603 1137462680 /nfs/dbraw/zinc/46/26/80/1137462680.db2.gz VYVBHCWPUWOVQW-LBPRGKRZSA-N 0 3 332.831 3.986 20 10 EHCDHN CC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)c1ccncc1 ZINC000873060168 1137589255 /nfs/dbraw/zinc/58/92/55/1137589255.db2.gz DGOMHUDDHKNUGJ-IBGZPJMESA-N 0 3 336.439 3.576 20 10 EHCDHN CCCOc1ccc(CNCc2ccc3oc(=O)[nH]c3c2)cc1C ZINC000873172557 1137592306 /nfs/dbraw/zinc/59/23/06/1137592306.db2.gz CWZDJRZOCWFWRL-UHFFFAOYSA-N 0 3 326.396 3.920 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000876948714 1137665973 /nfs/dbraw/zinc/66/59/73/1137665973.db2.gz LDKSXVPWJWNWGJ-UHFFFAOYSA-N 0 3 346.421 3.733 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000877025681 1137668033 /nfs/dbraw/zinc/66/80/33/1137668033.db2.gz RXZRUJAJHHASNK-MRXNPFEDSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000877484244 1137677875 /nfs/dbraw/zinc/67/78/75/1137677875.db2.gz YZGULCGPSRRLRG-CABCVRRESA-N 0 3 334.460 3.578 20 10 EHCDHN COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)cc1 ZINC000877540733 1137680540 /nfs/dbraw/zinc/68/05/40/1137680540.db2.gz AUNOJPPEXNIZJG-OAQYLSRUSA-N 0 3 341.451 3.655 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000877582899 1137681871 /nfs/dbraw/zinc/68/18/71/1137681871.db2.gz CFSNYOOLDBNVSM-FQEVSTJZSA-N 0 3 347.405 3.924 20 10 EHCDHN Cc1ccc(C[NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)c([O-])c1 ZINC000877617198 1137683239 /nfs/dbraw/zinc/68/32/39/1137683239.db2.gz SRQVSHIFQRLIRM-UHFFFAOYSA-N 0 3 346.471 3.534 20 10 EHCDHN C[C@@H]1C[C@H](C[N@@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703149 1137686490 /nfs/dbraw/zinc/68/64/90/1137686490.db2.gz TWSOZQUYTYGKMX-HUUCEWRRSA-N 0 3 346.471 3.743 20 10 EHCDHN C[C@@H]1C[C@H](C[N@H+]2Cc3cccc([O-])c3C2)CCN1C(=O)OC(C)(C)C ZINC000877703149 1137686491 /nfs/dbraw/zinc/68/64/91/1137686491.db2.gz TWSOZQUYTYGKMX-HUUCEWRRSA-N 0 3 346.471 3.743 20 10 EHCDHN CCOc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OC(=O)CC ZINC000877758371 1137688489 /nfs/dbraw/zinc/68/84/89/1137688489.db2.gz WQKWFTHKPPPUSM-AWEZNQCLSA-N 0 3 343.423 3.957 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccnn1C ZINC000877762280 1137688618 /nfs/dbraw/zinc/68/86/18/1137688618.db2.gz CEFNRIYKOVLLSB-OAHLLOKOSA-N 0 3 337.423 3.556 20 10 EHCDHN Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000879647435 1137753503 /nfs/dbraw/zinc/75/35/03/1137753503.db2.gz CERKJTNSXJFUSB-HZPDHXFCSA-N 0 3 326.440 3.537 20 10 EHCDHN C[C@@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)c1ccccc1[O-] ZINC000879648926 1137753628 /nfs/dbraw/zinc/75/36/28/1137753628.db2.gz GOEHPCRXEGHETG-SJKOYZFVSA-N 0 3 328.437 3.546 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879649204 1137753677 /nfs/dbraw/zinc/75/36/77/1137753677.db2.gz NRVDERJPKFMZDH-KEYYUXOJSA-N 0 3 349.858 3.835 20 10 EHCDHN C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879651172 1137753881 /nfs/dbraw/zinc/75/38/81/1137753881.db2.gz LLCUGCZTTOYIBS-KBPBESRZSA-N 0 3 346.858 3.916 20 10 EHCDHN CCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000883279911 1137852324 /nfs/dbraw/zinc/85/23/24/1137852324.db2.gz KQIHYFUNAFJMRL-UHFFFAOYSA-N 0 3 334.460 3.662 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)c2c1 ZINC000884483264 1137960994 /nfs/dbraw/zinc/96/09/94/1137960994.db2.gz QMETYIMRDDAYTA-FOIQADDNSA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]([C@H]4CCCO4)C3)c2c1 ZINC000884483264 1137960995 /nfs/dbraw/zinc/96/09/95/1137960995.db2.gz QMETYIMRDDAYTA-FOIQADDNSA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(C)cc(OC)c2OC)c1 ZINC000886153367 1138053422 /nfs/dbraw/zinc/05/34/22/1138053422.db2.gz DLBSNQDZLAMMGK-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN CC(C)[C@H](NCc1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000886517768 1138088485 /nfs/dbraw/zinc/08/84/85/1138088485.db2.gz QMSASCFEXNQKHI-FQEVSTJZSA-N 0 3 326.488 3.897 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000093741814 1138240266 /nfs/dbraw/zinc/24/02/66/1138240266.db2.gz RKMIEYOARBYUNW-UHFFFAOYSA-N 0 3 343.515 3.510 20 10 EHCDHN CCCOc1ccc(C[NH2+]C2(c3cccc(OC)c3)CC2)c([O-])c1 ZINC000150893167 1138990942 /nfs/dbraw/zinc/99/09/42/1138990942.db2.gz OJDARFRTNSBCDM-UHFFFAOYSA-N 0 3 327.424 3.969 20 10 EHCDHN COCCOCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179643157 1139771131 /nfs/dbraw/zinc/77/11/31/1139771131.db2.gz RLQQWCAKCVKRAV-QGZVFWFLSA-N 0 3 329.440 3.618 20 10 EHCDHN COCCOCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179643157 1139771135 /nfs/dbraw/zinc/77/11/35/1139771135.db2.gz RLQQWCAKCVKRAV-QGZVFWFLSA-N 0 3 329.440 3.618 20 10 EHCDHN Cc1cc(O)c(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000180282521 1139824821 /nfs/dbraw/zinc/82/48/21/1139824821.db2.gz QYAFAPOMJRUYGZ-CMJOXMDJSA-N 0 3 331.481 3.939 20 10 EHCDHN C[C@@H](O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183038586 1140009745 /nfs/dbraw/zinc/00/97/45/1140009745.db2.gz GHUUNQNGNBBYHS-MRXNPFEDSA-N 0 3 341.451 3.564 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1[O-] ZINC000183451812 1140039081 /nfs/dbraw/zinc/03/90/81/1140039081.db2.gz MUMXIGXMSMREPL-UONOGXRCSA-N 0 3 326.396 3.761 20 10 EHCDHN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185051535 1140133741 /nfs/dbraw/zinc/13/37/41/1140133741.db2.gz FKJOUTKGIXWANL-UONOGXRCSA-N 0 3 344.430 3.910 20 10 EHCDHN COCCOc1cc(C)ccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000185681960 1140162942 /nfs/dbraw/zinc/16/29/42/1140162942.db2.gz CEJOBZWEJDPYNT-OAHLLOKOSA-N 0 3 345.439 3.585 20 10 EHCDHN CC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(OC)c(OC)c1 ZINC000268852404 1141008856 /nfs/dbraw/zinc/00/88/56/1141008856.db2.gz QRYWJERZHYYBKN-KRWDZBQOSA-N 0 3 327.424 3.880 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000154868216 1015878620 /nfs/dbraw/zinc/87/86/20/1015878620.db2.gz VJKRXMAZIABVKJ-SJORKVTESA-N 0 3 346.496 3.568 20 10 EHCDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC000183446553 1032171557 /nfs/dbraw/zinc/17/15/57/1032171557.db2.gz LPKPLAJGHAZWAD-CYBMUJFWSA-N 0 3 325.387 3.876 20 10 EHCDHN C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000183502526 1032176358 /nfs/dbraw/zinc/17/63/58/1032176358.db2.gz PJRYAKXZRZVTPQ-LSDHHAIUSA-N 0 3 334.460 3.690 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000134321495 1020032617 /nfs/dbraw/zinc/03/26/17/1020032617.db2.gz BIEKIZHJOGBGDO-GOSISDBHSA-N 0 3 345.874 3.503 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccccc1[O-] ZINC000155868035 1020087507 /nfs/dbraw/zinc/08/75/07/1020087507.db2.gz AVGJIPCTGGSYBS-AZUAARDMSA-N 0 3 329.440 3.954 20 10 EHCDHN CCn1cc(C[NH2+]Cc2ccc(OC)cc2[O-])c(-c2ccccc2)n1 ZINC000894637420 1022651963 /nfs/dbraw/zinc/65/19/63/1022651963.db2.gz NTPSYVKGJOOEAM-UHFFFAOYSA-N 0 3 337.423 3.574 20 10 EHCDHN COc1cccc(-c2cc(CNCc3cc(C)c(C)cc3O)on2)c1 ZINC000897841688 1033205386 /nfs/dbraw/zinc/20/53/86/1033205386.db2.gz OGILDXLFOCCWSS-UHFFFAOYSA-N 0 3 338.407 3.962 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccccc1NC(C)=O ZINC000156848774 1024631492 /nfs/dbraw/zinc/63/14/92/1024631492.db2.gz LXDSNDOHIDUREM-UHFFFAOYSA-N 0 3 325.456 3.733 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N1CCCC1 ZINC000281151061 1024707435 /nfs/dbraw/zinc/70/74/35/1024707435.db2.gz AUXXZWYXBIOISF-ROUUACIJSA-N 0 3 343.515 3.729 20 10 EHCDHN COCCOc1cccc(CNCc2c(C)c3ccccc3n2C)c1 ZINC000475208054 1026386705 /nfs/dbraw/zinc/38/67/05/1026386705.db2.gz QLICQUKQLSSLEK-UHFFFAOYSA-N 0 3 338.451 3.802 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000359872325 1027864418 /nfs/dbraw/zinc/86/44/18/1027864418.db2.gz OSMCEVXXPSLTOJ-DKICVRJWSA-N 0 3 328.431 3.875 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1 ZINC000161849919 1028340997 /nfs/dbraw/zinc/34/09/97/1028340997.db2.gz ONSIIRYVWBQAPP-HNNXBMFYSA-N 0 3 326.440 3.765 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccccc1[O-] ZINC000278528844 1029900064 /nfs/dbraw/zinc/90/00/64/1029900064.db2.gz TYCAARYPMRTSSU-SOUVJXGZSA-N 0 3 334.460 3.831 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1[O-] ZINC000761202082 1034412723 /nfs/dbraw/zinc/41/27/23/1034412723.db2.gz KNIGIWDTDZWXJP-MRXNPFEDSA-N 0 3 339.863 3.978 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1[O-] ZINC000761202082 1034412733 /nfs/dbraw/zinc/41/27/33/1034412733.db2.gz KNIGIWDTDZWXJP-MRXNPFEDSA-N 0 3 339.863 3.978 20 10 EHCDHN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C2CC2)cn1 ZINC000529688119 1034460615 /nfs/dbraw/zinc/46/06/15/1034460615.db2.gz INHWGGDHHNJJNR-KRWDZBQOSA-N 0 3 348.830 3.699 20 10 EHCDHN C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854548 1038689384 /nfs/dbraw/zinc/68/93/84/1038689384.db2.gz MDVNIRIVFTZXAP-TUAOUCFPSA-N 0 3 329.271 3.976 20 10 EHCDHN C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854548 1038689388 /nfs/dbraw/zinc/68/93/88/1038689388.db2.gz MDVNIRIVFTZXAP-TUAOUCFPSA-N 0 3 329.271 3.976 20 10 EHCDHN COc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1OC ZINC000893684587 1043872264 /nfs/dbraw/zinc/87/22/64/1043872264.db2.gz DIOQVDPBSWBLDL-CMPLNLGQSA-N 0 3 333.350 3.572 20 10 EHCDHN COc1ccc(COCCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185321364 1126867011 /nfs/dbraw/zinc/86/70/11/1126867011.db2.gz ORCTXDHZJUCNNW-AWEZNQCLSA-N 0 3 333.403 3.797 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c([O-])c1 ZINC000185458952 1126904599 /nfs/dbraw/zinc/90/45/99/1126904599.db2.gz CUXMJUUVUPCQRJ-SUMWQHHRSA-N 0 3 334.410 3.932 20 10 EHCDHN Cc1cc(C)c(O)c(CN2CCN([C@H](C)c3ccsc3)CC2)c1 ZINC000764953176 1127556701 /nfs/dbraw/zinc/55/67/01/1127556701.db2.gz DOYOVMWFQXMITP-MRXNPFEDSA-N 0 3 330.497 3.949 20 10 EHCDHN CN(Cc1cc(Br)cc2c1OCC2)Cc1ccccc1O ZINC000765575852 1127680388 /nfs/dbraw/zinc/68/03/88/1127680388.db2.gz BKOXRYBTOFHYOU-UHFFFAOYSA-N 0 3 348.240 3.722 20 10 EHCDHN [O-]c1ccccc1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000765626626 1127712487 /nfs/dbraw/zinc/71/24/87/1127712487.db2.gz PQYORYIHWNGVRT-UHFFFAOYSA-N 0 3 330.859 3.800 20 10 EHCDHN COc1ccc(N2CCC(NCc3cc(C)cnc3Cl)CC2)cc1 ZINC000921657434 1128438816 /nfs/dbraw/zinc/43/88/16/1128438816.db2.gz UPLQCOOXXFXXSX-UHFFFAOYSA-N 0 3 345.874 3.811 20 10 EHCDHN CNC(=O)c1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000915058237 1121153346 /nfs/dbraw/zinc/15/33/46/1121153346.db2.gz FYJPRBBMXSGVPH-UHFFFAOYSA-N 0 3 347.462 3.744 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1[O-] ZINC000179882260 1123887131 /nfs/dbraw/zinc/88/71/31/1123887131.db2.gz RQLZUJSBGNSZGG-BDJLRTHQSA-N 0 3 348.805 3.641 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180272889 1123973375 /nfs/dbraw/zinc/97/33/75/1123973375.db2.gz VNBPUUSLWKSERT-SJLPKXTDSA-N 0 3 333.403 3.993 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180272889 1123973378 /nfs/dbraw/zinc/97/33/78/1123973378.db2.gz VNBPUUSLWKSERT-SJLPKXTDSA-N 0 3 333.403 3.993 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1C ZINC000068707221 1124012289 /nfs/dbraw/zinc/01/22/89/1124012289.db2.gz QSIUCTLXLWTPBS-HNNXBMFYSA-N 0 3 340.423 3.811 20 10 EHCDHN COc1ccc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000070976373 1125447409 /nfs/dbraw/zinc/44/74/09/1125447409.db2.gz YEHXGDYWLDIISM-FQEVSTJZSA-N 0 3 341.451 3.625 20 10 EHCDHN COc1ccc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000070976373 1125447411 /nfs/dbraw/zinc/44/74/11/1125447411.db2.gz YEHXGDYWLDIISM-FQEVSTJZSA-N 0 3 341.451 3.625 20 10 EHCDHN CC1(c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)OCCO1 ZINC000922297945 1129446978 /nfs/dbraw/zinc/44/69/78/1129446978.db2.gz DEJKRMSXEPKHCY-UHFFFAOYSA-N 0 3 339.435 3.521 20 10 EHCDHN CCOCc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000922542845 1129568843 /nfs/dbraw/zinc/56/88/43/1129568843.db2.gz DFWVEOKQDSTDSJ-CQSZACIVSA-N 0 3 344.411 3.991 20 10 EHCDHN Cc1cc([O-])c(CN[C@@H](CC[NH+](C)C)c2cccnc2)c(Cl)c1 ZINC000922632027 1129605199 /nfs/dbraw/zinc/60/51/99/1129605199.db2.gz HAKABCWCMGZMLW-KRWDZBQOSA-N 0 3 333.863 3.532 20 10 EHCDHN CO[C@](C)(C[NH2+][C@H](C)c1ccc(C)cc1[O-])COCc1ccccc1 ZINC000702789119 1130245433 /nfs/dbraw/zinc/24/54/33/1130245433.db2.gz CKNDVPGPNXXJLB-DYESRHJHSA-N 0 3 343.467 3.973 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCOc1cccc(F)c1)C[C@H]1CCCO1 ZINC000731845379 1130849334 /nfs/dbraw/zinc/84/93/34/1130849334.db2.gz YYZNZPKLVIKRAG-LJQANCHMSA-N 0 3 345.414 3.591 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCOc1cccc(F)c1)C[C@H]1CCCO1 ZINC000731845379 1130849338 /nfs/dbraw/zinc/84/93/38/1130849338.db2.gz YYZNZPKLVIKRAG-LJQANCHMSA-N 0 3 345.414 3.591 20 10 EHCDHN CN(Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1O ZINC000731843139 1130851131 /nfs/dbraw/zinc/85/11/31/1130851131.db2.gz ZVSIXBQQDNPOOX-UHFFFAOYSA-N 0 3 333.815 3.839 20 10 EHCDHN C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1[O-] ZINC000731843139 1130851139 /nfs/dbraw/zinc/85/11/39/1130851139.db2.gz ZVSIXBQQDNPOOX-UHFFFAOYSA-N 0 3 333.815 3.839 20 10 EHCDHN C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1[O-] ZINC000731843139 1130851146 /nfs/dbraw/zinc/85/11/46/1130851146.db2.gz ZVSIXBQQDNPOOX-UHFFFAOYSA-N 0 3 333.815 3.839 20 10 EHCDHN C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000732204920 1130900685 /nfs/dbraw/zinc/90/06/85/1130900685.db2.gz GHZKRPVOEVGNJN-IRXDYDNUSA-N 0 3 344.499 3.641 20 10 EHCDHN C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000732204920 1130900688 /nfs/dbraw/zinc/90/06/88/1130900688.db2.gz GHZKRPVOEVGNJN-IRXDYDNUSA-N 0 3 344.499 3.641 20 10 EHCDHN CO[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(F)(F)F ZINC000733329695 1131027228 /nfs/dbraw/zinc/02/72/28/1131027228.db2.gz XKLVMMUOTDVYSY-MRXNPFEDSA-N 0 3 325.330 3.726 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740858960 1131549212 /nfs/dbraw/zinc/54/92/12/1131549212.db2.gz MSPAYDAZIQZBCS-RLLQIKCJSA-N 0 3 329.484 3.906 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740858960 1131549216 /nfs/dbraw/zinc/54/92/16/1131549216.db2.gz MSPAYDAZIQZBCS-RLLQIKCJSA-N 0 3 329.484 3.906 20 10 EHCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1F ZINC000742253451 1131701746 /nfs/dbraw/zinc/70/17/46/1131701746.db2.gz QJOQDFOGGDVKKR-MRXNPFEDSA-N 0 3 349.494 3.553 20 10 EHCDHN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cc3c(cc2O)OCO3)C1 ZINC000743371534 1131904301 /nfs/dbraw/zinc/90/43/01/1131904301.db2.gz CFOUTSMUTKPMNT-LRDDRELGSA-N 0 3 329.371 3.843 20 10 EHCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172919774 1131904540 /nfs/dbraw/zinc/90/45/40/1131904540.db2.gz HMPNACPEIKGOQL-QGZVFWFLSA-N 0 3 338.407 3.606 20 10 EHCDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172919774 1131904545 /nfs/dbraw/zinc/90/45/45/1131904545.db2.gz HMPNACPEIKGOQL-QGZVFWFLSA-N 0 3 338.407 3.606 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172966437 1131920120 /nfs/dbraw/zinc/92/01/20/1131920120.db2.gz BTDDZJUJXWFXSA-OAHLLOKOSA-N 0 3 336.476 3.860 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172966437 1131920124 /nfs/dbraw/zinc/92/01/24/1131920124.db2.gz BTDDZJUJXWFXSA-OAHLLOKOSA-N 0 3 336.476 3.860 20 10 EHCDHN C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073987 1131955116 /nfs/dbraw/zinc/95/51/16/1131955116.db2.gz FUUWAQBNFUKZEP-GDBMZVCRSA-N 0 3 334.460 3.612 20 10 EHCDHN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073987 1131955121 /nfs/dbraw/zinc/95/51/21/1131955121.db2.gz FUUWAQBNFUKZEP-GDBMZVCRSA-N 0 3 334.460 3.612 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000743869859 1131994500 /nfs/dbraw/zinc/99/45/00/1131994500.db2.gz CVINOIIRBJTOHZ-AEFFLSMTSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000743869859 1131994505 /nfs/dbraw/zinc/99/45/05/1131994505.db2.gz CVINOIIRBJTOHZ-AEFFLSMTSA-N 0 3 332.488 3.784 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000743870532 1131994847 /nfs/dbraw/zinc/99/48/47/1131994847.db2.gz WMGCTKVVTKUAFP-BRWVUGGUSA-N 0 3 332.488 3.782 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000743870532 1131994857 /nfs/dbraw/zinc/99/48/57/1131994857.db2.gz WMGCTKVVTKUAFP-BRWVUGGUSA-N 0 3 332.488 3.782 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000743870442 1131996271 /nfs/dbraw/zinc/99/62/71/1131996271.db2.gz RJUKBTYIAXUAGT-YWTNHNAXSA-N 0 3 346.515 3.934 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000743870442 1131996278 /nfs/dbraw/zinc/99/62/78/1131996278.db2.gz RJUKBTYIAXUAGT-YWTNHNAXSA-N 0 3 346.515 3.934 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000766607666 1132685637 /nfs/dbraw/zinc/68/56/37/1132685637.db2.gz IBPLRVZQQJOUEU-ZDUSSCGKSA-N 0 3 340.393 3.752 20 10 EHCDHN O=C(c1ccccn1)c1cc(Br)ccc1Nc1ncc[nH]1 ZINC001176084834 1132830792 /nfs/dbraw/zinc/83/07/92/1132830792.db2.gz FKMCGTCFISTWBO-UHFFFAOYSA-N 0 3 343.184 3.542 20 10 EHCDHN C[N@H+](CCCNCc1cc(Cl)cc(F)c1[O-])C1CCCCC1 ZINC001177071905 1133027901 /nfs/dbraw/zinc/02/79/01/1133027901.db2.gz RSWXQKZKPZVIJO-UHFFFAOYSA-N 0 3 328.859 3.929 20 10 EHCDHN C[N@@H+](CCCNCc1cc(Cl)cc(F)c1[O-])C1CCCCC1 ZINC001177071905 1133027907 /nfs/dbraw/zinc/02/79/07/1133027907.db2.gz RSWXQKZKPZVIJO-UHFFFAOYSA-N 0 3 328.859 3.929 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1ccc(OCC2CC2)nc1 ZINC001177608450 1133086368 /nfs/dbraw/zinc/08/63/68/1133086368.db2.gz YGZDMRNKNCJNHE-UHFFFAOYSA-N 0 3 335.451 3.960 20 10 EHCDHN Cc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C(C)C)s1 ZINC000768442800 1133139683 /nfs/dbraw/zinc/13/96/83/1133139683.db2.gz NYJCUAKFHAZOFN-KRWDZBQOSA-N 0 3 333.453 3.599 20 10 EHCDHN Cc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C(C)C)s1 ZINC000768442800 1133139685 /nfs/dbraw/zinc/13/96/85/1133139685.db2.gz NYJCUAKFHAZOFN-KRWDZBQOSA-N 0 3 333.453 3.599 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000769308982 1133258686 /nfs/dbraw/zinc/25/86/86/1133258686.db2.gz CWBLFTUKXCMBIG-IBGZPJMESA-N 0 3 338.451 3.861 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c([O-])c1 ZINC000769937147 1133369797 /nfs/dbraw/zinc/36/97/97/1133369797.db2.gz RTPZNDNOHMTCKK-UHFFFAOYSA-N 0 3 342.414 3.754 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000771200880 1133518876 /nfs/dbraw/zinc/51/88/76/1133518876.db2.gz ZMPVROFERIRLJQ-QHCPKHFHSA-N 0 3 345.442 3.983 20 10 EHCDHN CN(C)c1ccc(CN(Cc2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000771790896 1133595887 /nfs/dbraw/zinc/59/58/87/1133595887.db2.gz JGSFFUPMYBWJQF-UHFFFAOYSA-N 0 3 338.451 3.688 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c2c1c(F)ccc2[O-] ZINC000774381919 1133667904 /nfs/dbraw/zinc/66/79/04/1133667904.db2.gz CYOLVWCLNPRFOY-SCZZXKLOSA-N 0 3 339.304 3.586 20 10 EHCDHN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774487327 1133688965 /nfs/dbraw/zinc/68/89/65/1133688965.db2.gz ZFAWFUDJHPHCSJ-CABCVRRESA-N 0 3 343.446 3.878 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c([O-])c1 ZINC000788564230 1134143364 /nfs/dbraw/zinc/14/33/64/1134143364.db2.gz TWZALDMXNTYMLZ-NVXWUHKLSA-N 0 3 331.431 3.650 20 10 EHCDHN CC(C)N1CCC[C@H]([N@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000790288154 1134390293 /nfs/dbraw/zinc/39/02/93/1134390293.db2.gz PHLAYZBLCBVYHZ-SFHVURJKSA-N 0 3 330.472 3.536 20 10 EHCDHN CC(C)N1CCC[C@H]([N@@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000790288154 1134390300 /nfs/dbraw/zinc/39/03/00/1134390300.db2.gz PHLAYZBLCBVYHZ-SFHVURJKSA-N 0 3 330.472 3.536 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000772797596 1134686081 /nfs/dbraw/zinc/68/60/81/1134686081.db2.gz GQGUZFIOSCVTKE-CYBMUJFWSA-N 0 3 347.846 3.680 20 10 EHCDHN CCC1(CO)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792829701 1134798315 /nfs/dbraw/zinc/79/83/15/1134798315.db2.gz RIVWRUHNEXOISD-UHFFFAOYSA-N 0 3 344.421 3.756 20 10 EHCDHN C[C@@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172531 1135397910 /nfs/dbraw/zinc/39/79/10/1135397910.db2.gz NSLORTDUAYKCSX-FOIQADDNSA-N 0 3 329.463 3.845 20 10 EHCDHN COC(=O)CCN(Cc1ccc(F)c(F)c1)Cc1cccc(C)c1O ZINC000775690343 1135527272 /nfs/dbraw/zinc/52/72/72/1135527272.db2.gz RQHLZVCVVJOETB-UHFFFAOYSA-N 0 3 349.377 3.544 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000775698318 1135532316 /nfs/dbraw/zinc/53/23/16/1135532316.db2.gz OPJSKGUSNWXZFY-GFCCVEGCSA-N 0 3 342.867 3.699 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000775698318 1135532322 /nfs/dbraw/zinc/53/23/22/1135532322.db2.gz OPJSKGUSNWXZFY-GFCCVEGCSA-N 0 3 342.867 3.699 20 10 EHCDHN Cc1cc(Cl)cc(CN2CC(c3nc4ccccc4[nH]3)C2)c1O ZINC000775716576 1135558034 /nfs/dbraw/zinc/55/80/34/1135558034.db2.gz YALWOPVFEZBHCX-UHFFFAOYSA-N 0 3 327.815 3.830 20 10 EHCDHN CSC[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775723947 1135574854 /nfs/dbraw/zinc/57/48/54/1135574854.db2.gz KPORYZVMUKUJQX-ZDUSSCGKSA-N 0 3 330.291 3.791 20 10 EHCDHN CSC[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775723947 1135574856 /nfs/dbraw/zinc/57/48/56/1135574856.db2.gz KPORYZVMUKUJQX-ZDUSSCGKSA-N 0 3 330.291 3.791 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000775739182 1135597045 /nfs/dbraw/zinc/59/70/45/1135597045.db2.gz MJXJLNZTSKVEAU-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000775739182 1135597050 /nfs/dbraw/zinc/59/70/50/1135597050.db2.gz MJXJLNZTSKVEAU-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000775739182 1135597056 /nfs/dbraw/zinc/59/70/56/1135597056.db2.gz MJXJLNZTSKVEAU-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000775739182 1135597061 /nfs/dbraw/zinc/59/70/61/1135597061.db2.gz MJXJLNZTSKVEAU-SJCJKPOMSA-N 0 3 338.854 3.633 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1[O-] ZINC000808678759 1135715675 /nfs/dbraw/zinc/71/56/75/1135715675.db2.gz XFIDEPYCEZCNTC-CQSZACIVSA-N 0 3 346.858 3.663 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000808712615 1135718922 /nfs/dbraw/zinc/71/89/22/1135718922.db2.gz AHYKREAHBDCPCZ-RHSMWYFYSA-N 0 3 333.859 3.998 20 10 EHCDHN C[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(N(C)C)cc1 ZINC000775837508 1135796308 /nfs/dbraw/zinc/79/63/08/1135796308.db2.gz UBDVQDJRWHIQOM-OAHLLOKOSA-N 0 3 337.467 3.531 20 10 EHCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809697371 1135868677 /nfs/dbraw/zinc/86/86/77/1135868677.db2.gz FVTHHVNFLBRKKF-DSMZAQLRSA-N 0 3 335.447 3.914 20 10 EHCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809697371 1135868681 /nfs/dbraw/zinc/86/86/81/1135868681.db2.gz FVTHHVNFLBRKKF-DSMZAQLRSA-N 0 3 335.447 3.914 20 10 EHCDHN CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])N(C)C)cc1 ZINC000809774367 1135881387 /nfs/dbraw/zinc/88/13/87/1135881387.db2.gz LOAOOLADFHRYFU-LJQANCHMSA-N 0 3 346.446 3.711 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@]2(C)CCCO)c1[O-] ZINC000809757495 1135887345 /nfs/dbraw/zinc/88/73/45/1135887345.db2.gz OHHBPRULFSZXSJ-MRXNPFEDSA-N 0 3 342.277 3.590 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@]2(C)CCCO)c1[O-] ZINC000809757495 1135887349 /nfs/dbraw/zinc/88/73/49/1135887349.db2.gz OHHBPRULFSZXSJ-MRXNPFEDSA-N 0 3 342.277 3.590 20 10 EHCDHN COc1ccc2c(c1)C1(CC1)CN(Cc1cc(C)cc(OC)c1O)C2 ZINC000811792896 1136141557 /nfs/dbraw/zinc/14/15/57/1136141557.db2.gz JKLYRPAMOSFKOK-UHFFFAOYSA-N 0 3 339.435 3.765 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cccnc3Cl)C2)cc1 ZINC000850486246 1136268797 /nfs/dbraw/zinc/26/87/97/1136268797.db2.gz BEQZXUMUWZLQPJ-UONOGXRCSA-N 0 3 331.847 3.673 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850499970 1136272251 /nfs/dbraw/zinc/27/22/51/1136272251.db2.gz BIVNSLBNLOHLIH-BLLLJJGKSA-N 0 3 344.842 3.592 20 10 EHCDHN COc1ccc(O)c([C@H](C)NC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850504894 1136273227 /nfs/dbraw/zinc/27/32/27/1136273227.db2.gz HNSFJBLXMNBDSS-ZBEGNZNMSA-N 0 3 347.377 3.942 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)c1[O-] ZINC000850524524 1136277365 /nfs/dbraw/zinc/27/73/65/1136277365.db2.gz GUFBCVZSQXPFHX-WCQYABFASA-N 0 3 340.261 3.825 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2=CCCC2)c1[O-] ZINC000850558420 1136285231 /nfs/dbraw/zinc/28/52/31/1136285231.db2.gz WFDKJPZNUHOKCC-JTQLQIEISA-N 0 3 326.234 3.924 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000850580265 1136291663 /nfs/dbraw/zinc/29/16/63/1136291663.db2.gz JOZXWFIWCCIPIA-HWPZZCPQSA-N 0 3 325.330 3.502 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc3ccccc3nc2OC)c1 ZINC000813331753 1136319288 /nfs/dbraw/zinc/31/92/88/1136319288.db2.gz UCTFFKJFAYPTMF-CYBMUJFWSA-N 0 3 338.407 3.808 20 10 EHCDHN CCCc1nc(C)c(CNC2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000813792918 1136363372 /nfs/dbraw/zinc/36/33/72/1136363372.db2.gz ZSHPSWVDMXHOIU-UHFFFAOYSA-N 0 3 343.471 3.703 20 10 EHCDHN CC(C)[C@@H]1N(Cc2ccc(N3CCOCC3)c(F)c2)CC12CCC2 ZINC000814171871 1136415358 /nfs/dbraw/zinc/41/53/58/1136415358.db2.gz XKMMRVJYOMHFRL-IBGZPJMESA-N 0 3 332.463 3.673 20 10 EHCDHN CCC[N@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1[O-] ZINC000110990050 1136494925 /nfs/dbraw/zinc/49/49/25/1136494925.db2.gz YEZYYDQBTLOWBT-UHFFFAOYSA-N 0 3 338.451 3.584 20 10 EHCDHN CCC[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1[O-] ZINC000110990050 1136494927 /nfs/dbraw/zinc/49/49/27/1136494927.db2.gz YEZYYDQBTLOWBT-UHFFFAOYSA-N 0 3 338.451 3.584 20 10 EHCDHN C[C@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H](C)C1 ZINC001134686305 1136509400 /nfs/dbraw/zinc/50/94/00/1136509400.db2.gz GZNZWDVPFXUWMM-NDUPCHFUSA-N 0 3 345.531 3.544 20 10 EHCDHN Cc1cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)ccc1N(C)C ZINC000815064266 1136546221 /nfs/dbraw/zinc/54/62/21/1136546221.db2.gz BZQAFALEIIGMBC-UHFFFAOYSA-N 0 3 347.503 3.550 20 10 EHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(c4ccon4)CC3)c2c1 ZINC000853592527 1136547526 /nfs/dbraw/zinc/54/75/26/1136547526.db2.gz VLJXEJYQLGWNCG-UHFFFAOYSA-N 0 3 338.407 3.922 20 10 EHCDHN C[C@@H](NCc1ccnc(Br)c1)c1ccc(N(C)C)cc1 ZINC000815093407 1136555175 /nfs/dbraw/zinc/55/51/75/1136555175.db2.gz JIMKGEIEJUGVIP-GFCCVEGCSA-N 0 3 334.261 3.761 20 10 EHCDHN Cc1ccc2nccc(NCc3ccc(N4CCC(O)CC4)cc3)c2c1 ZINC000853955334 1136577045 /nfs/dbraw/zinc/57/70/45/1136577045.db2.gz LKCXLGOTXNDSRS-UHFFFAOYSA-N 0 3 347.462 3.538 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000815620487 1136619907 /nfs/dbraw/zinc/61/99/07/1136619907.db2.gz SKMOJCSXPRHOEE-KLHJMIIUSA-N 0 3 343.442 3.965 20 10 EHCDHN CO[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000815651190 1136626170 /nfs/dbraw/zinc/62/61/70/1136626170.db2.gz MMWYTKUDIPPLSU-YGRLFVJLSA-N 0 3 328.250 3.539 20 10 EHCDHN COCC1(CC[NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000816639014 1136742853 /nfs/dbraw/zinc/74/28/53/1136742853.db2.gz FAUPFRHHZMDXTE-UHFFFAOYSA-N 0 3 342.277 3.760 20 10 EHCDHN O=C(CC[NH2+]Cc1ccccc1[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000816658393 1136745224 /nfs/dbraw/zinc/74/52/24/1136745224.db2.gz LOOQRUJHHVFIQG-UHFFFAOYSA-N 0 3 339.222 3.817 20 10 EHCDHN CN(CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CC(C)(C)C ZINC001135967902 1136830598 /nfs/dbraw/zinc/83/05/98/1136830598.db2.gz AGFCWHCTEGVHCO-UHFFFAOYSA-N 0 3 345.531 3.613 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1[O-] ZINC000817954898 1136850858 /nfs/dbraw/zinc/85/08/58/1136850858.db2.gz MINAMAPZPTUIHK-BLLLJJGKSA-N 0 3 349.272 3.814 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000858449187 1136968735 /nfs/dbraw/zinc/96/87/35/1136968735.db2.gz JOZCCHFHSIKRCY-IRUJWGPZSA-N 0 3 343.324 3.669 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2c1c(F)ccc2[O-] ZINC000858453186 1136969621 /nfs/dbraw/zinc/96/96/21/1136969621.db2.gz KKMJGEITMFJLKW-NUTKFTJISA-N 0 3 327.399 3.811 20 10 EHCDHN COCc1csc(CN2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000824606672 1137144871 /nfs/dbraw/zinc/14/48/71/1137144871.db2.gz VDIJLUQOLODIKW-UHFFFAOYSA-N 0 3 346.496 3.615 20 10 EHCDHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635553 1137145319 /nfs/dbraw/zinc/14/53/19/1137145319.db2.gz HRCPPVZOVJYNEF-ICSRJNTNSA-N 0 3 341.451 3.564 20 10 EHCDHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635553 1137145320 /nfs/dbraw/zinc/14/53/20/1137145320.db2.gz HRCPPVZOVJYNEF-ICSRJNTNSA-N 0 3 341.451 3.564 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC2(F)F)c1[O-] ZINC000824799657 1137152880 /nfs/dbraw/zinc/15/28/80/1137152880.db2.gz QBUFAEUGIOCLIW-LLVKDONJSA-N 0 3 334.204 3.988 20 10 EHCDHN OCC1([C@H](NCc2ccc3c(c2)CCO3)c2cccs2)CCC1 ZINC000825312728 1137174105 /nfs/dbraw/zinc/17/41/05/1137174105.db2.gz XEODDBWSDCPXON-GOSISDBHSA-N 0 3 329.465 3.677 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794812973 1137262325 /nfs/dbraw/zinc/26/23/25/1137262325.db2.gz ADSPRPDNBOIQJU-HOCLYGCPSA-N 0 3 336.476 3.902 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000845992736 1137323710 /nfs/dbraw/zinc/32/37/10/1137323710.db2.gz OROFNDCNDFZQHR-KSSFIOAISA-N 0 3 347.480 3.640 20 10 EHCDHN COc1cccc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846051401 1137330782 /nfs/dbraw/zinc/33/07/82/1137330782.db2.gz DNUNNCCRDXXPME-HNNXBMFYSA-N 0 3 331.387 3.932 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cccc(OC(C)(C)C)n2)c1O ZINC000846157655 1137336647 /nfs/dbraw/zinc/33/66/47/1137336647.db2.gz NTGMRUHVZVNTBR-CYBMUJFWSA-N 0 3 330.428 3.824 20 10 EHCDHN COc1cccc([C@H](C)N[C@H](Cn2cccn2)c2ccccc2)c1O ZINC000846144390 1137339095 /nfs/dbraw/zinc/33/90/95/1137339095.db2.gz KQPAECMGKRELQP-MAUKXSAKSA-N 0 3 337.423 3.689 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)NCc2ccc(C)o2)c1O ZINC000866479556 1137358033 /nfs/dbraw/zinc/35/80/33/1137358033.db2.gz WMZCQNGKOAQDIY-SNVBAGLBSA-N 0 3 340.217 3.916 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](CCCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000846841423 1137371026 /nfs/dbraw/zinc/37/10/26/1137371026.db2.gz MVSFTTFNLZTAME-QGZVFWFLSA-N 0 3 340.467 3.824 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](CCCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000846841423 1137371028 /nfs/dbraw/zinc/37/10/28/1137371028.db2.gz MVSFTTFNLZTAME-QGZVFWFLSA-N 0 3 340.467 3.824 20 10 EHCDHN COc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1Cn1cccn1 ZINC000873098640 1137590152 /nfs/dbraw/zinc/59/01/52/1137590152.db2.gz TZOSTTNJIRAGIY-NRFANRHFSA-N 0 3 348.450 3.576 20 10 EHCDHN Cc1ccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000876718867 1137659597 /nfs/dbraw/zinc/65/95/97/1137659597.db2.gz WZAORCMTTKRLGR-HXUWFJFHSA-N 0 3 329.415 3.785 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000876717770 1137659634 /nfs/dbraw/zinc/65/96/34/1137659634.db2.gz HLIBMKUTOIMBSL-FQEVSTJZSA-N 0 3 329.415 3.785 20 10 EHCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)C1CCOCC1 ZINC000876722583 1137659747 /nfs/dbraw/zinc/65/97/47/1137659747.db2.gz ZFYQRAWZCCAYOL-HXUWFJFHSA-N 0 3 333.472 3.578 20 10 EHCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C1CCOCC1 ZINC000876722583 1137659748 /nfs/dbraw/zinc/65/97/48/1137659748.db2.gz ZFYQRAWZCCAYOL-HXUWFJFHSA-N 0 3 333.472 3.578 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(Cc3nc(C4CCC4)no3)CC2)c([O-])c1 ZINC000877657054 1137684525 /nfs/dbraw/zinc/68/45/25/1137684525.db2.gz GLOHMJOUODLIRS-UHFFFAOYSA-N 0 3 341.455 3.806 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)c1ccccc1[O-] ZINC000877757334 1137688277 /nfs/dbraw/zinc/68/82/77/1137688277.db2.gz QKEJDZJHVKLTBB-HNNXBMFYSA-N 0 3 337.423 3.556 20 10 EHCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OC(=O)C1CC1 ZINC000877756532 1137688370 /nfs/dbraw/zinc/68/83/70/1137688370.db2.gz PSXSVHDAHLGINH-CYBMUJFWSA-N 0 3 341.407 3.567 20 10 EHCDHN CCOc1c(CN[C@@H](C)c2ccccc2O)c(C)nn1CC(C)C ZINC000877757166 1137688410 /nfs/dbraw/zinc/68/84/10/1137688410.db2.gz KRHQJCHDBXYQQM-AWEZNQCLSA-N 0 3 331.460 3.803 20 10 EHCDHN CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000877835988 1137692963 /nfs/dbraw/zinc/69/29/63/1137692963.db2.gz KPAGTUINEYSFDF-GOSISDBHSA-N 0 3 341.451 3.564 20 10 EHCDHN CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000877835988 1137692964 /nfs/dbraw/zinc/69/29/64/1137692964.db2.gz KPAGTUINEYSFDF-GOSISDBHSA-N 0 3 341.451 3.564 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648348 1137753516 /nfs/dbraw/zinc/75/35/16/1137753516.db2.gz KWPSWQYCWQDIJA-VXGBXAGGSA-N 0 3 348.830 3.732 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000879648948 1137753647 /nfs/dbraw/zinc/75/36/47/1137753647.db2.gz GTYWLTYBHNCCLL-QWQRMKEZSA-N 0 3 342.414 3.544 20 10 EHCDHN CCN(C(=O)C[NH2+][C@H](C)c1ccccc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000879648576 1137753672 /nfs/dbraw/zinc/75/36/72/1137753672.db2.gz UOOTVXJEQRLPAF-HUUCEWRRSA-N 0 3 344.430 3.792 20 10 EHCDHN COc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000883330653 1137855512 /nfs/dbraw/zinc/85/55/12/1137855512.db2.gz JCOAZYBVGAJPFY-CVEARBPZSA-N 0 3 325.408 3.892 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c([O-])c1 ZINC000883398271 1137859832 /nfs/dbraw/zinc/85/98/32/1137859832.db2.gz IKCVNTJHPBBYAM-IBGZPJMESA-N 0 3 337.423 3.519 20 10 EHCDHN C[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000886711278 1138122415 /nfs/dbraw/zinc/12/24/15/1138122415.db2.gz RICQCICSPXHKRB-GOEBONIOSA-N 0 3 337.435 3.548 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc([S@](C)=O)cc1 ZINC000122940862 1138264298 /nfs/dbraw/zinc/26/42/98/1138264298.db2.gz ZGKACPBADNNJGI-OYLFLEFRSA-N 0 3 342.508 3.657 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cn2cccnc2n1)C1CCCCC1 ZINC000264890876 1138668785 /nfs/dbraw/zinc/66/87/85/1138668785.db2.gz FRYNUOJWZXEDEJ-UHFFFAOYSA-N 0 3 336.439 3.770 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cn2cccnc2n1)C1CCCCC1 ZINC000264890876 1138668787 /nfs/dbraw/zinc/66/87/87/1138668787.db2.gz FRYNUOJWZXEDEJ-UHFFFAOYSA-N 0 3 336.439 3.770 20 10 EHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1 ZINC000151068483 1139006131 /nfs/dbraw/zinc/00/61/31/1139006131.db2.gz PMIQQGGWDOAYLU-AWEZNQCLSA-N 0 3 332.394 3.652 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179575519 1139766394 /nfs/dbraw/zinc/76/63/94/1139766394.db2.gz DMLWOFYAPIJWCQ-HUUCEWRRSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179575519 1139766397 /nfs/dbraw/zinc/76/63/97/1139766397.db2.gz DMLWOFYAPIJWCQ-HUUCEWRRSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000183451835 1140038748 /nfs/dbraw/zinc/03/87/48/1140038748.db2.gz MUMXIGXMSMREPL-ZIAGYGMSSA-N 0 3 326.396 3.761 20 10 EHCDHN COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183475427 1140041189 /nfs/dbraw/zinc/04/11/89/1140041189.db2.gz UVYVFORBYQXZKW-HZPDHXFCSA-N 0 3 326.440 3.578 20 10 EHCDHN CCC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccccc1[O-] ZINC000184589993 1140110738 /nfs/dbraw/zinc/11/07/38/1140110738.db2.gz JHPWMNACMZROJF-UHFFFAOYSA-N 0 3 340.427 3.501 20 10 EHCDHN CCC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccccc1[O-] ZINC000184589993 1140110740 /nfs/dbraw/zinc/11/07/40/1140110740.db2.gz JHPWMNACMZROJF-UHFFFAOYSA-N 0 3 340.427 3.501 20 10 EHCDHN CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185077720 1140135367 /nfs/dbraw/zinc/13/53/67/1140135367.db2.gz HHKZXTLJRYCXIF-OAHLLOKOSA-N 0 3 332.488 3.778 20 10 EHCDHN COCCOc1cc(C)ccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000185681945 1140162780 /nfs/dbraw/zinc/16/27/80/1140162780.db2.gz CEJOBZWEJDPYNT-HNNXBMFYSA-N 0 3 345.439 3.585 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c1[O-] ZINC000187353606 1140251018 /nfs/dbraw/zinc/25/10/18/1140251018.db2.gz VLCZUFAYABNFRH-RYUDHWBXSA-N 0 3 344.293 3.911 20 10 EHCDHN Cc1cc(O)c(CN2CCC(O)(c3c(F)cccc3F)CC2)cc1C ZINC000190024788 1140381290 /nfs/dbraw/zinc/38/12/90/1140381290.db2.gz NMAJNDCYDALEFJ-UHFFFAOYSA-N 0 3 347.405 3.771 20 10 EHCDHN C[C@@H](NCC1(C)OCCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000190657228 1140413549 /nfs/dbraw/zinc/41/35/49/1140413549.db2.gz PHFPWDTYCJAIFE-QGZVFWFLSA-N 0 3 332.488 3.871 20 10 EHCDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)CCO2 ZINC000274414421 1141521223 /nfs/dbraw/zinc/52/12/23/1141521223.db2.gz SHTXGHABGPNJQV-LIRRHRJNSA-N 0 3 326.440 3.936 20 10 EHCDHN CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1cc(Br)ccc1[O-] ZINC000049553244 1014353564 /nfs/dbraw/zinc/35/35/64/1014353564.db2.gz ZRDCLAWAGDAZPY-BXUZGUMPSA-N 0 3 329.282 3.536 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1C ZINC000120316859 1014964810 /nfs/dbraw/zinc/96/48/10/1014964810.db2.gz HHSUXYIFMZFQIC-HNNXBMFYSA-N 0 3 340.423 3.811 20 10 EHCDHN OC[C@H](NCc1ccccc1O)c1ccc(Cl)cc1C(F)(F)F ZINC000280103846 1020084735 /nfs/dbraw/zinc/08/47/35/1020084735.db2.gz AOZUFLWZGYOSKA-AWEZNQCLSA-N 0 3 345.748 3.888 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccccc1[O-] ZINC000155867928 1020088614 /nfs/dbraw/zinc/08/86/14/1020088614.db2.gz AVGJIPCTGGSYBS-QUCCMNQESA-N 0 3 329.440 3.954 20 10 EHCDHN CCOC(=O)c1csc(CC[NH2+][C@H](CC)c2ccc(C)cc2[O-])n1 ZINC000280180363 1020171192 /nfs/dbraw/zinc/17/11/92/1020171192.db2.gz ROUVEWQYGDRHCA-CQSZACIVSA-N 0 3 348.468 3.617 20 10 EHCDHN CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(C)cc1[O-] ZINC000280256341 1020223436 /nfs/dbraw/zinc/22/34/36/1020223436.db2.gz WXVPKHOMHARAFV-KRWDZBQOSA-N 0 3 346.858 3.825 20 10 EHCDHN COc1cc(C)cc(CN[C@@H]2CCCOc3cc(F)ccc32)c1O ZINC000894375862 1021175724 /nfs/dbraw/zinc/17/57/24/1021175724.db2.gz NUEKVWGRUNHOMV-MRXNPFEDSA-N 0 3 331.387 3.852 20 10 EHCDHN COc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)c(O)c1OC ZINC000894706925 1022776992 /nfs/dbraw/zinc/77/69/92/1022776992.db2.gz IWGKLUFUSADKFL-CMPLNLGQSA-N 0 3 333.350 3.572 20 10 EHCDHN CC[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccccc1[O-] ZINC000156633455 1024265328 /nfs/dbraw/zinc/26/53/28/1024265328.db2.gz XMDQWGLTJPIBLH-OAHLLOKOSA-N 0 3 327.403 3.701 20 10 EHCDHN Cc1cccnc1[C@@H](NCc1cc2c(cc1O)OCO2)C(C)(C)C ZINC000897998112 1033265848 /nfs/dbraw/zinc/26/58/48/1033265848.db2.gz OJPTYXWAUOJYJK-GOSISDBHSA-N 0 3 328.412 3.701 20 10 EHCDHN CCN(Cc1cc(F)c(F)cc1[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142527513 1033277187 /nfs/dbraw/zinc/27/71/87/1033277187.db2.gz XPSUBCKANYUCBO-KRWDZBQOSA-N 0 3 346.421 3.767 20 10 EHCDHN CCN(Cc1cc(F)c(F)cc1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142527513 1033277201 /nfs/dbraw/zinc/27/72/01/1033277201.db2.gz XPSUBCKANYUCBO-KRWDZBQOSA-N 0 3 346.421 3.767 20 10 EHCDHN COCCOc1ccccc1CNCc1c(C)c2ccccc2n1C ZINC000475189078 1026312751 /nfs/dbraw/zinc/31/27/51/1026312751.db2.gz DMJYLWNZOPUCIU-UHFFFAOYSA-N 0 3 338.451 3.802 20 10 EHCDHN CCc1cccc(CN[C@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330215 1028280237 /nfs/dbraw/zinc/28/02/37/1028280237.db2.gz LUWNYXKCEAKWEH-MRXNPFEDSA-N 0 3 339.357 3.797 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000271807468 1029181755 /nfs/dbraw/zinc/18/17/55/1029181755.db2.gz KHTWHDCDOJJKTQ-GJZGRUSLSA-N 0 3 342.277 3.756 20 10 EHCDHN CCCOc1ccc(CN[C@@H](CCOC)c2ccc(C)o2)c(O)c1 ZINC000272234502 1029371136 /nfs/dbraw/zinc/37/11/36/1029371136.db2.gz GGNZCNVHUPWVOM-KRWDZBQOSA-N 0 3 333.428 3.950 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)c([O-])c1 ZINC000272234502 1029371151 /nfs/dbraw/zinc/37/11/51/1029371151.db2.gz GGNZCNVHUPWVOM-KRWDZBQOSA-N 0 3 333.428 3.950 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1[O-] ZINC000527990020 1031549728 /nfs/dbraw/zinc/54/97/28/1031549728.db2.gz JHPDBKJDGYENIW-NHYWBVRUSA-N 0 3 348.805 3.641 20 10 EHCDHN C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000310028377 1034167621 /nfs/dbraw/zinc/16/76/21/1034167621.db2.gz QWKPSSUOYMGNNF-GOEBONIOSA-N 0 3 334.460 3.660 20 10 EHCDHN CCN(CCC[NH2+][C@H](C)c1ccc(C)cc1[O-])C(=O)OC(C)(C)C ZINC000310076522 1034221541 /nfs/dbraw/zinc/22/15/41/1034221541.db2.gz OQOZKPUOSLRMBN-OAHLLOKOSA-N 0 3 336.476 3.998 20 10 EHCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(Cl)cc(C)c2[O-])OC)c1 ZINC000529641360 1034332401 /nfs/dbraw/zinc/33/24/01/1034332401.db2.gz XSMKEDKDVOSKMO-QGZVFWFLSA-N 0 3 335.831 3.840 20 10 EHCDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000177934293 1035453651 /nfs/dbraw/zinc/45/36/51/1035453651.db2.gz LOUSCMJMGOIQKC-CYBMUJFWSA-N 0 3 331.847 3.695 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc([S@](C)=O)cc2)cc1 ZINC000181250184 1037473936 /nfs/dbraw/zinc/47/39/36/1037473936.db2.gz XLEPFBFGFQEBRF-CMJOXMDJSA-N 0 3 330.497 3.731 20 10 EHCDHN Cc1ncccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359317 1037781535 /nfs/dbraw/zinc/78/15/35/1037781535.db2.gz KZMOKWGETLRYBJ-GOSISDBHSA-N 0 3 345.874 3.503 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1CCOCC1 ZINC000183063919 1038664721 /nfs/dbraw/zinc/66/47/21/1038664721.db2.gz ZMBQBMZKTWFUKO-UHFFFAOYSA-N 0 3 341.451 3.830 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1CCOCC1 ZINC000183063919 1038664723 /nfs/dbraw/zinc/66/47/23/1038664723.db2.gz ZMBQBMZKTWFUKO-UHFFFAOYSA-N 0 3 341.451 3.830 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccccc1[O-] ZINC000155876543 1039172382 /nfs/dbraw/zinc/17/23/82/1039172382.db2.gz YYUDZQZOWAEFNN-QUCCMNQESA-N 0 3 329.440 3.954 20 10 EHCDHN COc1ccc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)c(O)c1OC ZINC000893634092 1043099143 /nfs/dbraw/zinc/09/91/43/1043099143.db2.gz SUXBTQBESSRUJA-GFCCVEGCSA-N 0 3 347.459 3.520 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000185533954 1126928344 /nfs/dbraw/zinc/92/83/44/1126928344.db2.gz XKMJYXICRCFRQJ-XJKSGUPXSA-N 0 3 334.460 3.655 20 10 EHCDHN Cc1cccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000764570714 1127507628 /nfs/dbraw/zinc/50/76/28/1127507628.db2.gz FCKWCHBBXSAIPB-MRXNPFEDSA-N 0 3 325.456 3.659 20 10 EHCDHN C[C@H](c1ccsc1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000764956466 1127557174 /nfs/dbraw/zinc/55/71/74/1127557174.db2.gz UTKRLIQTQLDVAV-OAHLLOKOSA-N 0 3 342.508 3.821 20 10 EHCDHN CCN(CC)C(=O)C1(NCc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000736639452 1127724129 /nfs/dbraw/zinc/72/41/29/1127724129.db2.gz XZWFLKWCTQBDEO-UHFFFAOYSA-N 0 3 349.494 3.553 20 10 EHCDHN c1nn(CC2CCC2)cc1CNCc1ccc(N2CCCCC2)cc1 ZINC000921621422 1127869444 /nfs/dbraw/zinc/86/94/44/1127869444.db2.gz YXESDEAUNIKKEA-UHFFFAOYSA-N 0 3 338.499 3.963 20 10 EHCDHN c1cc(N2CCCC2)ccc1CNCc1ccc2c(c1)OCCCO2 ZINC001649047835 1128004716 /nfs/dbraw/zinc/00/47/16/1128004716.db2.gz QLFUDIKQRBSEOP-UHFFFAOYSA-N 0 3 338.451 3.738 20 10 EHCDHN COc1ccc([C@H]2C[C@@H]([N@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665125 1128745081 /nfs/dbraw/zinc/74/50/81/1128745081.db2.gz MJIBROKVSDWKHQ-FXAWDEMLSA-N 0 3 327.424 3.753 20 10 EHCDHN COc1ccc([C@H]2C[C@@H]([N@@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665125 1128745084 /nfs/dbraw/zinc/74/50/84/1128745084.db2.gz MJIBROKVSDWKHQ-FXAWDEMLSA-N 0 3 327.424 3.753 20 10 EHCDHN CCCOc1ccc(CNC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC001648824764 1120049951 /nfs/dbraw/zinc/04/99/51/1120049951.db2.gz OJWAAFMJZJQNRL-WAYWQWQTSA-N 0 3 325.456 3.739 20 10 EHCDHN [O-]c1c(CNc2cccc3c2C[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001168522877 1122502409 /nfs/dbraw/zinc/50/24/09/1122502409.db2.gz KBJQZEBHVDTKMX-UHFFFAOYSA-N 0 3 339.826 3.852 20 10 EHCDHN C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000182633919 1125346581 /nfs/dbraw/zinc/34/65/81/1125346581.db2.gz VANHSABFECOYMT-QGZVFWFLSA-N 0 3 338.499 3.678 20 10 EHCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000183041179 1125421720 /nfs/dbraw/zinc/42/17/20/1125421720.db2.gz WNOWPBLJJDYVBG-MRXNPFEDSA-N 0 3 327.424 3.582 20 10 EHCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000183041179 1125421723 /nfs/dbraw/zinc/42/17/23/1125421723.db2.gz WNOWPBLJJDYVBG-MRXNPFEDSA-N 0 3 327.424 3.582 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])COCc1ccccc1 ZINC000702843213 1130256226 /nfs/dbraw/zinc/25/62/26/1130256226.db2.gz BYODPADBULHTJN-JXFKEZNVSA-N 0 3 329.440 3.665 20 10 EHCDHN CCCN(CC(=O)N(C)Cc1ccccc1C)Cc1ccccc1O ZINC000727831372 1130598727 /nfs/dbraw/zinc/59/87/27/1130598727.db2.gz YATDIYOCRUGDIJ-UHFFFAOYSA-N 0 3 340.467 3.571 20 10 EHCDHN COC(=O)C1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000730107641 1130673519 /nfs/dbraw/zinc/67/35/19/1130673519.db2.gz QKPHURWJEJDOKC-UHFFFAOYSA-N 0 3 339.435 3.881 20 10 EHCDHN COC(=O)c1ccoc1CN(Cc1ccccc1O)C1CCCC1 ZINC000731846141 1130849681 /nfs/dbraw/zinc/84/96/81/1130849681.db2.gz UPJDFGMCRAMBAQ-UHFFFAOYSA-N 0 3 329.396 3.717 20 10 EHCDHN C[C@@H](Nc1ccnc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000731989010 1130876205 /nfs/dbraw/zinc/87/62/05/1130876205.db2.gz MRODMQKDBQKJSG-MRXNPFEDSA-N 0 3 333.435 3.666 20 10 EHCDHN COc1ccc(N2CCC(Nc3ccnc4ccccc43)CC2)cc1 ZINC000732031020 1130879714 /nfs/dbraw/zinc/87/97/14/1130879714.db2.gz XODKUCJUFKHSBB-UHFFFAOYSA-N 0 3 333.435 3.746 20 10 EHCDHN O=[S@@](CC[N@@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000732204312 1130900444 /nfs/dbraw/zinc/90/04/44/1130900444.db2.gz ILGUPWQIIINVMV-DEOSSOPVSA-N 0 3 343.492 3.945 20 10 EHCDHN O=[S@@](CC[N@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000732204312 1130900449 /nfs/dbraw/zinc/90/04/49/1130900449.db2.gz ILGUPWQIIINVMV-DEOSSOPVSA-N 0 3 343.492 3.945 20 10 EHCDHN CN(C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)C1CCCCC1 ZINC000733613802 1131061309 /nfs/dbraw/zinc/06/13/09/1131061309.db2.gz MAEJESMSOSBREG-UHFFFAOYSA-N 0 3 344.499 3.928 20 10 EHCDHN CN(C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C1CCCCC1 ZINC000733613802 1131061314 /nfs/dbraw/zinc/06/13/14/1131061314.db2.gz MAEJESMSOSBREG-UHFFFAOYSA-N 0 3 344.499 3.928 20 10 EHCDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000743477190 1131930261 /nfs/dbraw/zinc/93/02/61/1131930261.db2.gz GRDXCXPBCNFCFR-ZBFHGGJFSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000743477190 1131930265 /nfs/dbraw/zinc/93/02/65/1131930265.db2.gz GRDXCXPBCNFCFR-ZBFHGGJFSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000743477190 1131930270 /nfs/dbraw/zinc/93/02/70/1131930270.db2.gz GRDXCXPBCNFCFR-ZBFHGGJFSA-N 0 3 344.480 3.579 20 10 EHCDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1F ZINC001173189311 1131994759 /nfs/dbraw/zinc/99/47/59/1131994759.db2.gz OIDJAPCISPJKEW-VXGBXAGGSA-N 0 3 348.374 3.730 20 10 EHCDHN CN(C)c1ccc(/C=C\CNCc2ccnc(OCC3CC3)c2)cc1 ZINC001177674068 1133091227 /nfs/dbraw/zinc/09/12/27/1133091227.db2.gz KAMRTYAAROBOMZ-ARJAWSKDSA-N 0 3 337.467 3.739 20 10 EHCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1OC ZINC000768169200 1133104392 /nfs/dbraw/zinc/10/43/92/1133104392.db2.gz SEKYCLYBNRGRGP-UHFFFAOYSA-N 0 3 332.419 3.541 20 10 EHCDHN CCOc1ccc(C[N@H+](CC)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000768204230 1133106719 /nfs/dbraw/zinc/10/67/19/1133106719.db2.gz STMHNGNDQYOBRN-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN CCOc1ccc(C[N@@H+](CC)Cc2ccc(OC)c(OC)c2)c([O-])c1 ZINC000768204230 1133106722 /nfs/dbraw/zinc/10/67/22/1133106722.db2.gz STMHNGNDQYOBRN-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(N(C)C)nc2)cc1 ZINC000768207387 1133107766 /nfs/dbraw/zinc/10/77/66/1133107766.db2.gz HGHARCUECMQJKC-UHFFFAOYSA-N 0 3 326.488 3.626 20 10 EHCDHN COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1c([O-])cccc1OC ZINC000768339499 1133126311 /nfs/dbraw/zinc/12/63/11/1133126311.db2.gz SJEBNNZKUXURST-GOSISDBHSA-N 0 3 327.424 3.919 20 10 EHCDHN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768339499 1133126312 /nfs/dbraw/zinc/12/63/12/1133126312.db2.gz SJEBNNZKUXURST-GOSISDBHSA-N 0 3 327.424 3.919 20 10 EHCDHN CC[N@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442538 1133139227 /nfs/dbraw/zinc/13/92/27/1133139227.db2.gz LKNWWVVNBPTPON-NRFANRHFSA-N 0 3 349.430 3.993 20 10 EHCDHN CC[N@@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442538 1133139229 /nfs/dbraw/zinc/13/92/29/1133139229.db2.gz LKNWWVVNBPTPON-NRFANRHFSA-N 0 3 349.430 3.993 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCc2ccccc21 ZINC000768443248 1133139435 /nfs/dbraw/zinc/13/94/35/1133139435.db2.gz BZGITQFBZFWJFW-QUCCMNQESA-N 0 3 339.435 3.718 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCc2ccccc21 ZINC000768443248 1133139438 /nfs/dbraw/zinc/13/94/38/1133139438.db2.gz BZGITQFBZFWJFW-QUCCMNQESA-N 0 3 339.435 3.718 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(C1)CCCCCC3)[C@H](O)CO2 ZINC000768466731 1133145369 /nfs/dbraw/zinc/14/53/69/1133145369.db2.gz VRSHOCIGYRBUQE-GOSISDBHSA-N 0 3 331.456 3.754 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(C1)CCCCCC3)[C@H](O)CO2 ZINC000768466731 1133145370 /nfs/dbraw/zinc/14/53/70/1133145370.db2.gz VRSHOCIGYRBUQE-GOSISDBHSA-N 0 3 331.456 3.754 20 10 EHCDHN C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519743 1133148718 /nfs/dbraw/zinc/14/87/18/1133148718.db2.gz WKLRQAKABCKZGA-WMZOPIPTSA-N 0 3 341.451 3.564 20 10 EHCDHN C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519743 1133148721 /nfs/dbraw/zinc/14/87/21/1133148721.db2.gz WKLRQAKABCKZGA-WMZOPIPTSA-N 0 3 341.451 3.564 20 10 EHCDHN COc1cc(Br)cc(CN2CCCC(C)(C)C2)c1O ZINC000768892109 1133197450 /nfs/dbraw/zinc/19/74/50/1133197450.db2.gz LBYWUUXXUJGKKC-UHFFFAOYSA-N 0 3 328.250 3.785 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)OC)cc1 ZINC000773775710 1133204530 /nfs/dbraw/zinc/20/45/30/1133204530.db2.gz KOMFAHDGDJOYKW-UZLBHIALSA-N 0 3 340.467 3.783 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000768932753 1133205554 /nfs/dbraw/zinc/20/55/54/1133205554.db2.gz SARSZEAZHYYJRB-UHFFFAOYSA-N 0 3 341.451 3.625 20 10 EHCDHN CCC(CC)(C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000814177928 1133228777 /nfs/dbraw/zinc/22/87/77/1133228777.db2.gz VKIIRDTXCMUWGE-UHFFFAOYSA-N 0 3 330.266 3.758 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000769341528 1133266905 /nfs/dbraw/zinc/26/69/05/1133266905.db2.gz DSDPXOIUIHXDNS-HXUWFJFHSA-N 0 3 343.515 3.510 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1F ZINC000769426250 1133282597 /nfs/dbraw/zinc/28/25/97/1133282597.db2.gz DTASZIATKCEGQS-UHFFFAOYSA-N 0 3 330.451 3.775 20 10 EHCDHN C[C@@H]1CC[C@](CO)(NCc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC001179790027 1133283274 /nfs/dbraw/zinc/28/32/74/1133283274.db2.gz ZFAPLUIUKMVDNJ-QVKFZJNVSA-N 0 3 342.458 3.766 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c([O-])c1 ZINC000769475188 1133299607 /nfs/dbraw/zinc/29/96/07/1133299607.db2.gz VGZYMYMFUCIUCU-OAHLLOKOSA-N 0 3 327.424 3.789 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c([O-])c1 ZINC000769475188 1133299610 /nfs/dbraw/zinc/29/96/10/1133299610.db2.gz VGZYMYMFUCIUCU-OAHLLOKOSA-N 0 3 327.424 3.789 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000769544627 1133312471 /nfs/dbraw/zinc/31/24/71/1133312471.db2.gz ZKQPCPARKDNDHP-SFHVURJKSA-N 0 3 341.451 3.625 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000769544627 1133312476 /nfs/dbraw/zinc/31/24/76/1133312476.db2.gz ZKQPCPARKDNDHP-SFHVURJKSA-N 0 3 341.451 3.625 20 10 EHCDHN Cc1cc(Br)cc(CN2CCSC(C)(C)C2)c1O ZINC001180199750 1133348703 /nfs/dbraw/zinc/34/87/03/1133348703.db2.gz XKUFRCANBHAYBN-UHFFFAOYSA-N 0 3 330.291 3.791 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000774480800 1133687405 /nfs/dbraw/zinc/68/74/05/1133687405.db2.gz DWCQZIJJPAUJOF-VQHPVUNQSA-N 0 3 331.504 3.581 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c([O-])c1 ZINC000785570094 1133727754 /nfs/dbraw/zinc/72/77/54/1133727754.db2.gz LIJAYPXSCUIANJ-CRAIPNDOSA-N 0 3 330.472 3.675 20 10 EHCDHN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183428589 1133805481 /nfs/dbraw/zinc/80/54/81/1133805481.db2.gz JYXACIDZXTUTEO-QAPCUYQASA-N 0 3 329.440 3.610 20 10 EHCDHN Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c1 ZINC000786580436 1133870268 /nfs/dbraw/zinc/87/02/68/1133870268.db2.gz AMPCDWCZOYEPPD-LXZKKBNFSA-N 0 3 329.415 3.581 20 10 EHCDHN Cc1ccc(CN(C)Cc2cc(C)c(Br)cc2O)cn1 ZINC001250133669 1133870834 /nfs/dbraw/zinc/87/08/34/1133870834.db2.gz OMJNFKXWNIRZIV-UHFFFAOYSA-N 0 3 335.245 3.799 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1[O-] ZINC000798503646 1133907407 /nfs/dbraw/zinc/90/74/07/1133907407.db2.gz ORJZZVJAHBAGOT-QWRGUYRKSA-N 0 3 328.250 3.689 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1[O-] ZINC001184206747 1133907646 /nfs/dbraw/zinc/90/76/46/1133907646.db2.gz NRSWGVJPIFYPRZ-HNNXBMFYSA-N 0 3 343.309 3.529 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCC(F)(F)C1)C[C@H]1CCCO1 ZINC000787731906 1134036484 /nfs/dbraw/zinc/03/64/84/1134036484.db2.gz UDSARSQPFJTDPT-GDBMZVCRSA-N 0 3 325.399 3.809 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C[C@H]1CCCO1 ZINC000787731906 1134036491 /nfs/dbraw/zinc/03/64/91/1134036491.db2.gz UDSARSQPFJTDPT-GDBMZVCRSA-N 0 3 325.399 3.809 20 10 EHCDHN C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CCCC1 ZINC000788550056 1134141688 /nfs/dbraw/zinc/14/16/88/1134141688.db2.gz WZEYSDQCWNZDPP-OLZOCXBDSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000790403088 1134416864 /nfs/dbraw/zinc/41/68/64/1134416864.db2.gz MNBJHZJGTUQNOL-YRNRMSPPSA-N 0 3 333.472 3.592 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC000791003162 1134491946 /nfs/dbraw/zinc/49/19/46/1134491946.db2.gz LCPRFAGHSQUFTN-IIBYNOLFSA-N 0 3 343.467 3.510 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c([O-])c1 ZINC000791003157 1134491985 /nfs/dbraw/zinc/49/19/85/1134491985.db2.gz LCPRFAGHSQUFTN-IERDGZPVSA-N 0 3 343.467 3.510 20 10 EHCDHN CC(C)[N@H+](C)CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167663 1134661609 /nfs/dbraw/zinc/66/16/09/1134661609.db2.gz XKAKVDXRSKGCLA-UHFFFAOYSA-N 0 3 328.859 3.737 20 10 EHCDHN CC(C)[N@@H+](C)CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167663 1134661613 /nfs/dbraw/zinc/66/16/13/1134661613.db2.gz XKAKVDXRSKGCLA-UHFFFAOYSA-N 0 3 328.859 3.737 20 10 EHCDHN CC[C@@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000792192529 1134666724 /nfs/dbraw/zinc/66/67/24/1134666724.db2.gz LMMUXNRVAUFCKG-HXUWFJFHSA-N 0 3 327.424 3.630 20 10 EHCDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1c(C)cc(C)cc1[O-] ZINC001170421928 1134799497 /nfs/dbraw/zinc/79/94/97/1134799497.db2.gz UAPNDMRGZXBFOX-INIZCTEOSA-N 0 3 327.424 3.849 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cnc(-c3cccs3)s2)c([O-])c1 ZINC000793389116 1134920539 /nfs/dbraw/zinc/92/05/39/1134920539.db2.gz WOODIOLGJPYIHJ-UHFFFAOYSA-N 0 3 332.450 3.876 20 10 EHCDHN COc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000793387625 1134921286 /nfs/dbraw/zinc/92/12/86/1134921286.db2.gz IOUTYCGJFBGTHX-UHFFFAOYSA-N 0 3 327.424 3.922 20 10 EHCDHN COc1cc(C)cc(CN2Cc3ccccc3OC(C)(C)C2)c1O ZINC000808236529 1135639461 /nfs/dbraw/zinc/63/94/61/1135639461.db2.gz GAUJAFXVZCBYGW-UHFFFAOYSA-N 0 3 327.424 3.882 20 10 EHCDHN CCOc1ccc(O)c(CN[C@@H](COC)c2cccc(Cl)c2)c1 ZINC000808454763 1135670949 /nfs/dbraw/zinc/67/09/49/1135670949.db2.gz PCADCVASQDITAZ-KRWDZBQOSA-N 0 3 335.831 3.922 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c([O-])c1 ZINC000808430796 1135675109 /nfs/dbraw/zinc/67/51/09/1135675109.db2.gz ZNAUKTSERWTOBP-QGZVFWFLSA-N 0 3 335.831 3.658 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000808710473 1135718057 /nfs/dbraw/zinc/71/80/57/1135718057.db2.gz RJELRXUKYBPILI-BLLLJJGKSA-N 0 3 337.822 3.747 20 10 EHCDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cn1 ZINC000808716289 1135719509 /nfs/dbraw/zinc/71/95/09/1135719509.db2.gz LJIOOOUCDPWOOW-LLVKDONJSA-N 0 3 333.819 3.558 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1[O-] ZINC000808715188 1135720099 /nfs/dbraw/zinc/72/00/99/1135720099.db2.gz BGCLDIKOHVHEFU-HUUCEWRRSA-N 0 3 340.895 3.506 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000808697276 1135725290 /nfs/dbraw/zinc/72/52/90/1135725290.db2.gz BBTPMPSVWDJVIV-MEDUHNTESA-N 0 3 325.861 3.974 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000808697275 1135725314 /nfs/dbraw/zinc/72/53/14/1135725314.db2.gz BBTPMPSVWDJVIV-BZNIZROVSA-N 0 3 325.861 3.974 20 10 EHCDHN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699866 1135725943 /nfs/dbraw/zinc/72/59/43/1135725943.db2.gz QRMPKTQINBMSDF-NEPJUHHUSA-N 0 3 335.879 3.986 20 10 EHCDHN CCN(C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000775836257 1135795901 /nfs/dbraw/zinc/79/59/01/1135795901.db2.gz LPKPMTIYOUJCOT-SJORKVTESA-N 0 3 345.531 3.973 20 10 EHCDHN C[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(N(C)C)cc1 ZINC000775837506 1135796286 /nfs/dbraw/zinc/79/62/86/1135796286.db2.gz UBDVQDJRWHIQOM-HNNXBMFYSA-N 0 3 337.467 3.531 20 10 EHCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc(C)c1O ZINC000809538879 1135848930 /nfs/dbraw/zinc/84/89/30/1135848930.db2.gz UUOQSTHGVVMNLF-LJQANCHMSA-N 0 3 341.451 3.896 20 10 EHCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc(C)c1O ZINC000809538879 1135848933 /nfs/dbraw/zinc/84/89/33/1135848933.db2.gz UUOQSTHGVVMNLF-LJQANCHMSA-N 0 3 341.451 3.896 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)c1[O-] ZINC000809702599 1135869859 /nfs/dbraw/zinc/86/98/59/1135869859.db2.gz WLSJXRSHYSQQDR-SJCJKPOMSA-N 0 3 335.831 3.574 20 10 EHCDHN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768279 1135880877 /nfs/dbraw/zinc/88/08/77/1135880877.db2.gz GTDKQZHXEQYZIM-MFKMUULPSA-N 0 3 328.250 3.926 20 10 EHCDHN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768279 1135880880 /nfs/dbraw/zinc/88/08/80/1135880880.db2.gz GTDKQZHXEQYZIM-MFKMUULPSA-N 0 3 328.250 3.926 20 10 EHCDHN CN(C)CC[N@H+](Cc1cccc(F)c1)Cc1cccc(Cl)c1[O-] ZINC000809737148 1135882134 /nfs/dbraw/zinc/88/21/34/1135882134.db2.gz DAXBIOSAVQSLGM-UHFFFAOYSA-N 0 3 336.838 3.749 20 10 EHCDHN CN(C)CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(Cl)c1[O-] ZINC000809737148 1135882136 /nfs/dbraw/zinc/88/21/36/1135882136.db2.gz DAXBIOSAVQSLGM-UHFFFAOYSA-N 0 3 336.838 3.749 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216383 1135938863 /nfs/dbraw/zinc/93/88/63/1135938863.db2.gz IRBKMTQYKSUTFS-SWLSCSKDSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1[O-] ZINC000812735872 1136240020 /nfs/dbraw/zinc/24/00/20/1136240020.db2.gz CFLQBTTXXFFZQE-GFCCVEGCSA-N 0 3 333.863 3.817 20 10 EHCDHN CC[C@@H](NCc1c2c(nn1C)CCCC2)c1ccc(N(C)C)cc1 ZINC000812737649 1136240132 /nfs/dbraw/zinc/24/01/32/1136240132.db2.gz QRMRHGWMGLNAAE-GOSISDBHSA-N 0 3 326.488 3.606 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@H](C(C)C)C2CC2)c1[O-] ZINC000850398337 1136249066 /nfs/dbraw/zinc/24/90/66/1136249066.db2.gz NMIYSSMZDWMMJN-CQSZACIVSA-N 0 3 328.250 3.688 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cccnc3Cl)C2)cc1 ZINC000850486247 1136268480 /nfs/dbraw/zinc/26/84/80/1136268480.db2.gz BEQZXUMUWZLQPJ-ZIAGYGMSSA-N 0 3 331.847 3.673 20 10 EHCDHN CCc1cccnc1[C@@H](C)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489823 1136270149 /nfs/dbraw/zinc/27/01/49/1136270149.db2.gz XFUAAVITWFXLMM-WBVHZDCISA-N 0 3 325.456 3.582 20 10 EHCDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850502849 1136273258 /nfs/dbraw/zinc/27/32/58/1136273258.db2.gz RWVBRUKTDPPMND-LBEHMCEESA-N 0 3 341.879 3.571 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccnc(Cl)c1 ZINC000850566213 1136287623 /nfs/dbraw/zinc/28/76/23/1136287623.db2.gz LZJLRNNICIJRON-CQSZACIVSA-N 0 3 345.874 3.547 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(-c3ccccn3)s2)c1 ZINC000813331761 1136319141 /nfs/dbraw/zinc/31/91/41/1136319141.db2.gz UISHDXRYEKOERG-GFCCVEGCSA-N 0 3 341.436 3.770 20 10 EHCDHN Cc1cc(C)c(O)c(CN2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000853552116 1136543881 /nfs/dbraw/zinc/54/38/81/1136543881.db2.gz VSVLNSUISIYGQV-LJQANCHMSA-N 0 3 327.424 3.956 20 10 EHCDHN CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815564053 1136611362 /nfs/dbraw/zinc/61/13/62/1136611362.db2.gz WAPNTVVEDZXRKW-QWHCGFSZSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cnc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)s1 ZINC000816514040 1136729386 /nfs/dbraw/zinc/72/93/86/1136729386.db2.gz KJBUFBZOZOTLFK-UHFFFAOYSA-N 0 3 339.464 3.633 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000816619372 1136742583 /nfs/dbraw/zinc/74/25/83/1136742583.db2.gz CWRKZNXCKCTFHR-HNNXBMFYSA-N 0 3 326.223 3.831 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000776864784 1136748999 /nfs/dbraw/zinc/74/89/99/1136748999.db2.gz MHLNJCWDTZUSJY-ZOBUZTSGSA-N 0 3 334.460 3.690 20 10 EHCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170860330 1136793534 /nfs/dbraw/zinc/79/35/34/1136793534.db2.gz YLKRFSRIRNBSFY-HNNXBMFYSA-N 0 3 348.240 3.507 20 10 EHCDHN COC1([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000817587826 1136826567 /nfs/dbraw/zinc/82/65/67/1136826567.db2.gz IVQYPRDTLKCWMS-CHWSQXEVSA-N 0 3 327.852 3.589 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817941853 1136848616 /nfs/dbraw/zinc/84/86/16/1136848616.db2.gz LFYXTYXGVPLVRQ-FZKQIMNGSA-N 0 3 347.890 3.771 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000862530025 1137148310 /nfs/dbraw/zinc/14/83/10/1137148310.db2.gz SGZAMWAOPYGREK-GHTZIAJQSA-N 0 3 339.435 3.628 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccccc1[O-] ZINC000825117459 1137166152 /nfs/dbraw/zinc/16/61/52/1137166152.db2.gz DQYHRQFHRIQESE-ISARSNTHSA-N 0 3 343.471 3.827 20 10 EHCDHN CCc1cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665805 1137222410 /nfs/dbraw/zinc/22/24/10/1137222410.db2.gz VZYGJTRGPGMEFP-VFNWGFHPSA-N 0 3 347.499 3.632 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(C)cc1[O-] ZINC000794796262 1137250817 /nfs/dbraw/zinc/25/08/17/1137250817.db2.gz XCRLVWABRVZXEH-SFHVURJKSA-N 0 3 326.440 3.643 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1ccc(C)cc1[O-] ZINC000794813706 1137262515 /nfs/dbraw/zinc/26/25/15/1137262515.db2.gz BTJKBYGRVFUWDL-YJBOKZPZSA-N 0 3 327.424 3.754 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCc3ccccc3N2)c1[O-] ZINC000844911544 1137264695 /nfs/dbraw/zinc/26/46/95/1137264695.db2.gz OFPCNUCIOXLSJP-MRXNPFEDSA-N 0 3 346.858 3.961 20 10 EHCDHN CN(C)c1ccc(CN[C@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC000865653322 1137301985 /nfs/dbraw/zinc/30/19/85/1137301985.db2.gz DFVVCFIXKNKZDC-GOSISDBHSA-N 0 3 336.838 3.758 20 10 EHCDHN CC1(C)C[C@@H](NCc2cc3c(cc2O)OCO3)c2cc(F)ccc2O1 ZINC000846053147 1137330617 /nfs/dbraw/zinc/33/06/17/1137330617.db2.gz SMAUDQOWXUGSRM-CQSZACIVSA-N 0 3 345.370 3.652 20 10 EHCDHN COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1cccc(OC)c1O ZINC000846148294 1137336141 /nfs/dbraw/zinc/33/61/41/1137336141.db2.gz PYVKCQYWTCIHPX-MLGOLLRUSA-N 0 3 329.396 3.584 20 10 EHCDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(OC)c1O)CCO2 ZINC000846162226 1137337241 /nfs/dbraw/zinc/33/72/41/1137337241.db2.gz CDKVECCGJAFRTK-LRDDRELGSA-N 0 3 329.396 3.584 20 10 EHCDHN COc1cccc([C@@H](C)N[C@@H](Cn2cccn2)c2ccccc2)c1O ZINC000846144393 1137339043 /nfs/dbraw/zinc/33/90/43/1137339043.db2.gz KQPAECMGKRELQP-QAPCUYQASA-N 0 3 337.423 3.689 20 10 EHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)CC2 ZINC000866404839 1137352260 /nfs/dbraw/zinc/35/22/60/1137352260.db2.gz WJVMMYFSWQDUHS-FCEWJHQRSA-N 0 3 331.362 3.778 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000866535966 1137362503 /nfs/dbraw/zinc/36/25/03/1137362503.db2.gz JPTNVSNPUHIQLO-HUUCEWRRSA-N 0 3 347.480 3.558 20 10 EHCDHN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876728025 1137659715 /nfs/dbraw/zinc/65/97/15/1137659715.db2.gz WBUVMSGUANOONW-HXUWFJFHSA-N 0 3 344.499 3.704 20 10 EHCDHN Cc1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c([O-])c1 ZINC000877032810 1137668188 /nfs/dbraw/zinc/66/81/88/1137668188.db2.gz QSBLTVQHWHXJOU-UHFFFAOYSA-N 0 3 339.464 3.942 20 10 EHCDHN Cc1ccc(N(CC2CC2)C(=O)c2cccc3c2CCNC3)cc1F ZINC000877089752 1137670039 /nfs/dbraw/zinc/67/00/39/1137670039.db2.gz UJFVZLCWYTWLCQ-UHFFFAOYSA-N 0 3 338.426 3.837 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)c([O-])c1 ZINC000877548730 1137680790 /nfs/dbraw/zinc/68/07/90/1137680790.db2.gz AAJAXXAUEVVYFU-OAHLLOKOSA-N 0 3 340.423 3.898 20 10 EHCDHN COc1cccc([C@@H](O)C2CC[NH+](Cc3c(C)cccc3[O-])CC2)c1 ZINC000877660406 1137684640 /nfs/dbraw/zinc/68/46/40/1137684640.db2.gz LGLRTVLBWHUSRB-NRFANRHFSA-N 0 3 341.451 3.655 20 10 EHCDHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648946 1137753611 /nfs/dbraw/zinc/75/36/11/1137753611.db2.gz HEBMMSVLQLYBGH-ARFHVFGLSA-N 0 3 326.440 3.617 20 10 EHCDHN COc1cccc(OC)c1OCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649428 1137753644 /nfs/dbraw/zinc/75/36/44/1137753644.db2.gz SOBXQWCDSIKHDX-OAHLLOKOSA-N 0 3 345.439 3.919 20 10 EHCDHN Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccccc2[O-])C2CC2)cc1 ZINC000879648389 1137753675 /nfs/dbraw/zinc/75/36/75/1137753675.db2.gz MOGGXEVDPFUERG-MRXNPFEDSA-N 0 3 338.451 3.542 20 10 EHCDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1O ZINC000879651513 1137753795 /nfs/dbraw/zinc/75/37/95/1137753795.db2.gz ZCMMMXPPCIRGBU-ZDUSSCGKSA-N 0 3 330.384 3.938 20 10 EHCDHN C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879652357 1137753897 /nfs/dbraw/zinc/75/38/97/1137753897.db2.gz YYMUXLPTPGSCEF-KXBFYZLASA-N 0 3 338.451 3.579 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000879651898 1137753981 /nfs/dbraw/zinc/75/39/81/1137753981.db2.gz OKHRDZXKAJRRIG-MELADBBJSA-N 0 3 346.858 3.962 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879651871 1137754003 /nfs/dbraw/zinc/75/40/03/1137754003.db2.gz NRVDERJPKFMZDH-GRDNDAEWSA-N 0 3 349.858 3.835 20 10 EHCDHN [O-]c1c(F)cc(F)cc1CNCc1ccccc1C[NH+]1CCCCC1 ZINC000882881208 1137836567 /nfs/dbraw/zinc/83/65/67/1137836567.db2.gz CHJQAQJVKPSVPI-UHFFFAOYSA-N 0 3 346.421 3.946 20 10 EHCDHN COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000120327287 1137948593 /nfs/dbraw/zinc/94/85/93/1137948593.db2.gz GSWPDHQLTRXBRU-MGPUTAFESA-N 0 3 328.456 3.536 20 10 EHCDHN CC(C)OC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000884476263 1137960831 /nfs/dbraw/zinc/96/08/31/1137960831.db2.gz JYSKFSMGTFNZDY-UHFFFAOYSA-N 0 3 327.424 3.709 20 10 EHCDHN Cc1cc(Cl)cc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182106925 1139951262 /nfs/dbraw/zinc/95/12/62/1139951262.db2.gz IXAFEAADRJJORW-ZHRRBRCNSA-N 0 3 337.872 3.563 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1[O-] ZINC000182106925 1139951268 /nfs/dbraw/zinc/95/12/68/1139951268.db2.gz IXAFEAADRJJORW-ZHRRBRCNSA-N 0 3 337.872 3.563 20 10 EHCDHN CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183402542 1140035131 /nfs/dbraw/zinc/03/51/31/1140035131.db2.gz DNIBBMRSNDUEDP-HNNXBMFYSA-N 0 3 326.440 3.725 20 10 EHCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccc(C)cc3[O-])cn2)n1 ZINC000185058097 1140134632 /nfs/dbraw/zinc/13/46/32/1140134632.db2.gz QSBSQSCBMKOUNT-INIZCTEOSA-N 0 3 336.439 3.749 20 10 EHCDHN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185470829 1140151202 /nfs/dbraw/zinc/15/12/02/1140151202.db2.gz FXBORGZBLAOVEE-DJJJIMSYSA-N 0 3 333.403 3.703 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(O[C@@H]2CCOC2)c1 ZINC000185726917 1140166589 /nfs/dbraw/zinc/16/65/89/1140166589.db2.gz LOAIZGKQTTZTBU-RHSMWYFYSA-N 0 3 345.414 3.858 20 10 EHCDHN CCC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)Cc1ccccc1[O-] ZINC000186922240 1140228367 /nfs/dbraw/zinc/22/83/67/1140228367.db2.gz HUYAHRONCGMUTA-UHFFFAOYSA-N 0 3 338.451 3.713 20 10 EHCDHN CCC[N@@H+](Cc1ccc2c(c1)CCC(=O)N2C)Cc1ccccc1[O-] ZINC000186922240 1140228373 /nfs/dbraw/zinc/22/83/73/1140228373.db2.gz HUYAHRONCGMUTA-UHFFFAOYSA-N 0 3 338.451 3.713 20 10 EHCDHN CN(C)c1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1F ZINC000266145888 1140646863 /nfs/dbraw/zinc/64/68/63/1140646863.db2.gz IUYPJYLOKHSZNB-UHFFFAOYSA-N 0 3 346.421 3.826 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000270188553 1141190074 /nfs/dbraw/zinc/19/00/74/1141190074.db2.gz XROQTACALMUHOJ-SHACYNPGSA-N 0 3 347.480 3.769 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000271297345 1141340813 /nfs/dbraw/zinc/34/08/13/1141340813.db2.gz SMKAXHSFECHENJ-UYAOXDASSA-N 0 3 341.476 3.766 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000271297345 1141340819 /nfs/dbraw/zinc/34/08/19/1141340819.db2.gz SMKAXHSFECHENJ-UYAOXDASSA-N 0 3 341.476 3.766 20 10 EHCDHN CCC(CC)(CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183156028 1125458397 /nfs/dbraw/zinc/45/83/97/1125458397.db2.gz QHPYFSUSFQZGNJ-UHFFFAOYSA-N 0 3 329.440 3.612 20 10 EHCDHN CCCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccccc2[O-])c1 ZINC000155191369 1016280564 /nfs/dbraw/zinc/28/05/64/1016280564.db2.gz SBLFZGLTFDEJMG-GOSISDBHSA-N 0 3 326.440 3.773 20 10 EHCDHN C[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(N(C)C)cc1 ZINC000155272897 1016392993 /nfs/dbraw/zinc/39/29/93/1016392993.db2.gz UDNXYBXCTSLUCN-INIZCTEOSA-N 0 3 337.467 3.730 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+](C)CCOC(C)(C)C)c1[O-] ZINC000689894632 1032497805 /nfs/dbraw/zinc/49/78/05/1032497805.db2.gz KBKZLROTTBUNDH-UHFFFAOYSA-N 0 3 330.266 3.710 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCOC(C)(C)C)c1[O-] ZINC000689894632 1032497810 /nfs/dbraw/zinc/49/78/10/1032497810.db2.gz KBKZLROTTBUNDH-UHFFFAOYSA-N 0 3 330.266 3.710 20 10 EHCDHN CC[C@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280196158 1020161495 /nfs/dbraw/zinc/16/14/95/1020161495.db2.gz SOCBKZGWXJVOHK-RBUKOAKNSA-N 0 3 329.440 3.874 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000280293744 1020260966 /nfs/dbraw/zinc/26/09/66/1020260966.db2.gz ZJRZYVQCTBWSAB-OALUTQOASA-N 0 3 338.451 3.542 20 10 EHCDHN CCCN(CCC)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000760448995 1032963490 /nfs/dbraw/zinc/96/34/90/1032963490.db2.gz CSEDENWUYBEKDP-INIZCTEOSA-N 0 3 332.410 3.716 20 10 EHCDHN COC[C@H](NCc1cc(C)cc(OC)c1O)c1ccc(Cl)cc1 ZINC000894581848 1022584500 /nfs/dbraw/zinc/58/45/00/1022584500.db2.gz TWZUWEIXZAJREY-INIZCTEOSA-N 0 3 335.831 3.840 20 10 EHCDHN CC1(C)CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)OC1 ZINC001167982357 1022825259 /nfs/dbraw/zinc/82/52/59/1022825259.db2.gz CNRATZYFNRMEFH-ROUUACIJSA-N 0 3 333.472 3.578 20 10 EHCDHN CC1(C)CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)OC1 ZINC001167982357 1022825269 /nfs/dbraw/zinc/82/52/69/1022825269.db2.gz CNRATZYFNRMEFH-ROUUACIJSA-N 0 3 333.472 3.578 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000760038492 1023984212 /nfs/dbraw/zinc/98/42/12/1023984212.db2.gz BLASJKPGYKNQLT-DCPHZVHLSA-N 0 3 329.415 3.657 20 10 EHCDHN COc1ccc(CN(C)[C@@H]2CCCc3nc(C)sc32)c(O)c1OC ZINC000892035397 1024429852 /nfs/dbraw/zinc/42/98/52/1024429852.db2.gz IBPLTNCJIHJBRH-CQSZACIVSA-N 0 3 348.468 3.684 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1N1CCOCC1 ZINC000475196166 1026367741 /nfs/dbraw/zinc/36/77/41/1026367741.db2.gz JHJRVGJWGMJOLJ-UHFFFAOYSA-N 0 3 349.478 3.613 20 10 EHCDHN COc1cccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348267 1027388426 /nfs/dbraw/zinc/38/84/26/1027388426.db2.gz AMGXVOWGDKKHMQ-MJGOQNOKSA-N 0 3 345.414 3.892 20 10 EHCDHN COc1cccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348267 1027388438 /nfs/dbraw/zinc/38/84/38/1027388438.db2.gz AMGXVOWGDKKHMQ-MJGOQNOKSA-N 0 3 345.414 3.892 20 10 EHCDHN COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000273621387 1027523553 /nfs/dbraw/zinc/52/35/53/1027523553.db2.gz ZDCACFPNWXRTAA-HZPDHXFCSA-N 0 3 326.440 3.639 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000359874310 1027864211 /nfs/dbraw/zinc/86/42/11/1027864211.db2.gz RFPFCDWPSHWPCC-NBQZKYEYSA-N 0 3 328.431 3.875 20 10 EHCDHN COc1ccc([C@H](CCO)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000120327150 1027995325 /nfs/dbraw/zinc/99/53/25/1027995325.db2.gz GSWPDHQLTRXBRU-QRWLVFNGSA-N 0 3 328.456 3.536 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2cc(C(F)(F)F)nn2C)c(O)c1C ZINC000926928598 1031488772 /nfs/dbraw/zinc/48/87/72/1031488772.db2.gz NGRARPVLJMEHPB-LLVKDONJSA-N 0 3 327.350 3.612 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1[O-] ZINC000527990018 1031548225 /nfs/dbraw/zinc/54/82/25/1031548225.db2.gz JHPDBKJDGYENIW-ABAIWWIYSA-N 0 3 348.805 3.641 20 10 EHCDHN CCOc1cc(CN[C@H](C)c2cc(OC)ccc2O)c(F)cc1OC ZINC000529568535 1034222700 /nfs/dbraw/zinc/22/27/00/1034222700.db2.gz AVWZKDMDUJLPEI-GFCCVEGCSA-N 0 3 349.402 3.798 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310081868 1034254894 /nfs/dbraw/zinc/25/48/94/1034254894.db2.gz YJFDUPFCWVMGGO-GDBMZVCRSA-N 0 3 334.460 3.832 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000157069876 1036462047 /nfs/dbraw/zinc/46/20/47/1036462047.db2.gz FFAYWDIDYMBJHB-ZDUSSCGKSA-N 0 3 347.846 3.680 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000310049912 1037672002 /nfs/dbraw/zinc/67/20/02/1037672002.db2.gz KVJZBAPSPDVGJO-CABCVRRESA-N 0 3 334.460 3.832 20 10 EHCDHN COC(=O)CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179646367 1037875472 /nfs/dbraw/zinc/87/54/72/1037875472.db2.gz XEJNRXRWVKOAHI-MRXNPFEDSA-N 0 3 327.424 3.909 20 10 EHCDHN COC(=O)CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179646367 1037875486 /nfs/dbraw/zinc/87/54/86/1037875486.db2.gz XEJNRXRWVKOAHI-MRXNPFEDSA-N 0 3 327.424 3.909 20 10 EHCDHN COc1ccccc1CN(Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000164209151 1041219056 /nfs/dbraw/zinc/21/90/56/1041219056.db2.gz AROYFVIODDBSNF-UHFFFAOYSA-N 0 3 327.424 3.882 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(N(C)C)nc1 ZINC000156480592 1041242251 /nfs/dbraw/zinc/24/22/51/1041242251.db2.gz LJUPFMZIHYGXMO-UHFFFAOYSA-N 0 3 338.499 3.770 20 10 EHCDHN COc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)c(O)c1OC ZINC000893475052 1042217973 /nfs/dbraw/zinc/21/79/73/1042217973.db2.gz HWDCHLVDGFSJNB-JQWIXIFHSA-N 0 3 333.350 3.572 20 10 EHCDHN COc1cc(O)c(CN(C)Cc2ccccc2SC)cc1OC ZINC000279760680 1044547230 /nfs/dbraw/zinc/54/72/30/1044547230.db2.gz ZTHOWQRHIXAZDI-UHFFFAOYSA-N 0 3 333.453 3.763 20 10 EHCDHN C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000184968188 1126723678 /nfs/dbraw/zinc/72/36/78/1126723678.db2.gz VTMFCOCQQUBOOC-AWEZNQCLSA-N 0 3 325.387 3.610 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cccnc2OC2CCCC2)c1 ZINC000185010294 1126735174 /nfs/dbraw/zinc/73/51/74/1126735174.db2.gz ANWGIBNZTWQHIJ-AWEZNQCLSA-N 0 3 342.439 3.968 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000185337392 1126868468 /nfs/dbraw/zinc/86/84/68/1126868468.db2.gz HEAUSTMKLIGOFU-WMZOPIPTSA-N 0 3 342.458 3.747 20 10 EHCDHN COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185391038 1126883740 /nfs/dbraw/zinc/88/37/40/1126883740.db2.gz MOFKDNKOXUUQET-CABCVRRESA-N 0 3 329.440 4.000 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185456013 1126904463 /nfs/dbraw/zinc/90/44/63/1126904463.db2.gz YCCGBDBDIUYBOY-JSGCOSHPSA-N 0 3 338.423 3.581 20 10 EHCDHN COc1cccc(CNCc2cc(Cl)ccc2OC(F)F)c1O ZINC000072928052 1126940975 /nfs/dbraw/zinc/94/09/75/1126940975.db2.gz FUEJDOGXBLVAQF-UHFFFAOYSA-N 0 3 343.757 3.945 20 10 EHCDHN c1cc(N2CCCCC2)ncc1CNCc1ccc2c(c1)CCCO2 ZINC000921537854 1127682672 /nfs/dbraw/zinc/68/26/72/1127682672.db2.gz FNPWMTLPCREMRQ-UHFFFAOYSA-N 0 3 337.467 3.687 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCOCC1CCC1 ZINC000765677165 1127722550 /nfs/dbraw/zinc/72/25/50/1127722550.db2.gz KRTGIJVPVLKSQY-UHFFFAOYSA-N 0 3 341.451 3.878 20 10 EHCDHN CCN1CCN(c2ccccc2N[C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186361582 1128403248 /nfs/dbraw/zinc/40/32/48/1128403248.db2.gz XRDJGSNRWOPMHE-HNNXBMFYSA-N 0 3 343.446 3.846 20 10 EHCDHN COC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCCC1 ZINC001659850941 1120106116 /nfs/dbraw/zinc/10/61/16/1120106116.db2.gz NUCUBGBXZSKMPC-UHFFFAOYSA-N 0 3 328.250 3.512 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc([S@](C)=O)cc1 ZINC000921931263 1128933709 /nfs/dbraw/zinc/93/37/09/1128933709.db2.gz DLOPOBXGAXMVNN-FATZIPQQSA-N 0 3 329.465 3.600 20 10 EHCDHN Cc1nc(C)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000172797994 1128958474 /nfs/dbraw/zinc/95/84/74/1128958474.db2.gz KPDGPPXCKIFBJK-INIZCTEOSA-N 0 3 332.469 3.647 20 10 EHCDHN C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1[O-] ZINC000179803612 1123863552 /nfs/dbraw/zinc/86/35/52/1123863552.db2.gz TUJREOUZXZGTKW-UHFFFAOYSA-N 0 3 348.487 3.861 20 10 EHCDHN C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1[O-] ZINC000179803612 1123863555 /nfs/dbraw/zinc/86/35/55/1123863555.db2.gz TUJREOUZXZGTKW-UHFFFAOYSA-N 0 3 348.487 3.861 20 10 EHCDHN CCc1cccc(C)c1NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182462856 1125299429 /nfs/dbraw/zinc/29/94/29/1125299429.db2.gz NGIWYMMFNMOETD-CQSZACIVSA-N 0 3 342.439 3.561 20 10 EHCDHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000741720760 1131636502 /nfs/dbraw/zinc/63/65/02/1131636502.db2.gz WQDUINNJDXNXCF-LJQANCHMSA-N 0 3 339.483 3.569 20 10 EHCDHN COc1cccc(O)c1CNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000742385591 1131713855 /nfs/dbraw/zinc/71/38/55/1131713855.db2.gz KFHXVGITCLDSMO-UHFFFAOYSA-N 0 3 343.423 3.646 20 10 EHCDHN C[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC001172805462 1131861275 /nfs/dbraw/zinc/86/12/75/1131861275.db2.gz BQFXMEFWTIHLGP-HNSVSWJLSA-N 0 3 344.455 3.749 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000743869878 1131995233 /nfs/dbraw/zinc/99/52/33/1131995233.db2.gz DHEVTRSKRMHLHM-INIZCTEOSA-N 0 3 326.440 3.656 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000743869878 1131995238 /nfs/dbraw/zinc/99/52/38/1131995238.db2.gz DHEVTRSKRMHLHM-INIZCTEOSA-N 0 3 326.440 3.656 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000743869878 1131995240 /nfs/dbraw/zinc/99/52/40/1131995240.db2.gz DHEVTRSKRMHLHM-INIZCTEOSA-N 0 3 326.440 3.656 20 10 EHCDHN CC(C)CN(Cc1ccccc1F)Cc1cc2c(cc1O)OCO2 ZINC000746061937 1132355457 /nfs/dbraw/zinc/35/54/57/1132355457.db2.gz PAXZBABSFJHFKE-UHFFFAOYSA-N 0 3 331.387 3.918 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000766608395 1132685800 /nfs/dbraw/zinc/68/58/00/1132685800.db2.gz AXDXARUSSRZONS-UZLBHIALSA-N 0 3 337.467 3.599 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1cncc(Br)c1 ZINC000767182094 1132962347 /nfs/dbraw/zinc/96/23/47/1132962347.db2.gz ZBVAFOALQSBUCS-UHFFFAOYSA-N 0 3 334.261 3.508 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC000768318173 1133128051 /nfs/dbraw/zinc/12/80/51/1133128051.db2.gz JJRFODISTSLHLR-ZDUSSCGKSA-N 0 3 328.250 3.784 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC000768318173 1133128053 /nfs/dbraw/zinc/12/80/53/1133128053.db2.gz JJRFODISTSLHLR-ZDUSSCGKSA-N 0 3 328.250 3.784 20 10 EHCDHN CC(C)N(Cc1cnc(N(C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000768353335 1133128900 /nfs/dbraw/zinc/12/89/00/1133128900.db2.gz RPSWIPSKEJCPCJ-UHFFFAOYSA-N 0 3 332.517 3.686 20 10 EHCDHN CC(C)(C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450442 1133140631 /nfs/dbraw/zinc/14/06/31/1133140631.db2.gz JORSXVFLFARMBN-LJQANCHMSA-N 0 3 341.451 3.866 20 10 EHCDHN CC(C)(C)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450442 1133140632 /nfs/dbraw/zinc/14/06/32/1133140632.db2.gz JORSXVFLFARMBN-LJQANCHMSA-N 0 3 341.451 3.866 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CCC1CCCC1)[C@H](O)CO2 ZINC000768462534 1133144383 /nfs/dbraw/zinc/14/43/83/1133144383.db2.gz MQIZCCSEFKKNSK-QFBILLFUSA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CCC1CCCC1)[C@H](O)CO2 ZINC000768462534 1133144385 /nfs/dbraw/zinc/14/43/85/1133144385.db2.gz MQIZCCSEFKKNSK-QFBILLFUSA-N 0 3 331.456 3.753 20 10 EHCDHN COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769190373 1133233781 /nfs/dbraw/zinc/23/37/81/1133233781.db2.gz TYTOYEBABRCXDD-MRXNPFEDSA-N 0 3 327.424 3.617 20 10 EHCDHN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769190373 1133233786 /nfs/dbraw/zinc/23/37/86/1133233786.db2.gz TYTOYEBABRCXDD-MRXNPFEDSA-N 0 3 327.424 3.617 20 10 EHCDHN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447725 1133292231 /nfs/dbraw/zinc/29/22/31/1133292231.db2.gz JZCJQWOXZVJYPC-GXFFZTMASA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447725 1133292236 /nfs/dbraw/zinc/29/22/36/1133292236.db2.gz JZCJQWOXZVJYPC-GXFFZTMASA-N 0 3 328.250 3.784 20 10 EHCDHN CSC[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769513527 1133306521 /nfs/dbraw/zinc/30/65/21/1133306521.db2.gz BAIMBNAOERHVAT-INIZCTEOSA-N 0 3 349.500 3.913 20 10 EHCDHN COc1cccc(O)c1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000769531606 1133310549 /nfs/dbraw/zinc/31/05/49/1133310549.db2.gz DLLLEDOCBMTWMY-CYBMUJFWSA-N 0 3 333.815 3.708 20 10 EHCDHN CCOc1ccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000769563758 1133314840 /nfs/dbraw/zinc/31/48/40/1133314840.db2.gz PNASZYNARHEMLV-BSEYFRJRSA-N 0 3 347.480 3.721 20 10 EHCDHN CCOCC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000769767944 1133339530 /nfs/dbraw/zinc/33/95/30/1133339530.db2.gz DDCOQHVAPKQWSE-PXNSSMCTSA-N 0 3 343.467 3.743 20 10 EHCDHN CCOCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000769767944 1133339534 /nfs/dbraw/zinc/33/95/34/1133339534.db2.gz DDCOQHVAPKQWSE-PXNSSMCTSA-N 0 3 343.467 3.743 20 10 EHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CN(C)C1CCCC1 ZINC001180633970 1133401099 /nfs/dbraw/zinc/40/10/99/1133401099.db2.gz XDKFZYOUFIUZRG-HXUWFJFHSA-N 0 3 344.499 3.623 20 10 EHCDHN CN(C)c1cc(F)c(CNC(C)(C)[C@@H](O)c2ccccc2)cc1F ZINC001183500951 1133817043 /nfs/dbraw/zinc/81/70/43/1133817043.db2.gz VMENJUOVWGIEIL-SFHVURJKSA-N 0 3 334.410 3.633 20 10 EHCDHN Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c([O-])cc1Br ZINC001250120663 1133838503 /nfs/dbraw/zinc/83/85/03/1133838503.db2.gz LVTFYPVBTDESDE-MRXNPFEDSA-N 0 3 340.261 3.608 20 10 EHCDHN Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c([O-])cc1Br ZINC001250120663 1133838510 /nfs/dbraw/zinc/83/85/10/1133838510.db2.gz LVTFYPVBTDESDE-MRXNPFEDSA-N 0 3 340.261 3.608 20 10 EHCDHN Cc1cc(CN2CC[C@@]3(C2)CCCCO3)c(O)cc1Br ZINC001250120663 1133838514 /nfs/dbraw/zinc/83/85/14/1133838514.db2.gz LVTFYPVBTDESDE-MRXNPFEDSA-N 0 3 340.261 3.608 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC000788801442 1134171036 /nfs/dbraw/zinc/17/10/36/1134171036.db2.gz MZWMTLJMLYSLQZ-KURKYZTESA-N 0 3 344.499 3.841 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC000775129598 1134352056 /nfs/dbraw/zinc/35/20/56/1134352056.db2.gz GNISPYFIRYORLZ-MEDUHNTESA-N 0 3 341.329 3.675 20 10 EHCDHN Cc1cnccc1OC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000775206949 1134520693 /nfs/dbraw/zinc/52/06/93/1134520693.db2.gz YVGLFTITFBXGDD-UHFFFAOYSA-N 0 3 332.831 3.792 20 10 EHCDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CC[C@H](C)C1 ZINC000792193498 1134666391 /nfs/dbraw/zinc/66/63/91/1134666391.db2.gz XJZKGJJTQFUYPN-WFASDCNBSA-N 0 3 327.852 3.691 20 10 EHCDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CC[C@H](C)C1 ZINC000792193498 1134666394 /nfs/dbraw/zinc/66/63/94/1134666394.db2.gz XJZKGJJTQFUYPN-WFASDCNBSA-N 0 3 327.852 3.691 20 10 EHCDHN COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170304948 1134739477 /nfs/dbraw/zinc/73/94/77/1134739477.db2.gz IKBAWOWEGXFDRR-CHWSQXEVSA-N 0 3 330.384 3.591 20 10 EHCDHN CCOC[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792834363 1134799122 /nfs/dbraw/zinc/79/91/22/1134799122.db2.gz HRFHDURRRIYNFR-ZDUSSCGKSA-N 0 3 330.394 3.630 20 10 EHCDHN COc1ccc(CNCc2ccc(CSC(F)F)o2)c(O)c1 ZINC000793389039 1134921824 /nfs/dbraw/zinc/92/18/24/1134921824.db2.gz TZWPDRITHBRPIE-UHFFFAOYSA-N 0 3 329.368 3.739 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000775491118 1134936666 /nfs/dbraw/zinc/93/66/66/1134936666.db2.gz YNIMIGKGNGWKSR-MSOLQXFVSA-N 0 3 326.440 3.653 20 10 EHCDHN CC[C@H]([NH2+][C@@H](CN(C)C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000793573636 1134970242 /nfs/dbraw/zinc/97/02/42/1134970242.db2.gz SADMORLOLQMSQK-OALUTQOASA-N 0 3 328.456 3.744 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)c([O-])c1 ZINC000808431053 1135674438 /nfs/dbraw/zinc/67/44/38/1135674438.db2.gz CFLNJRAQZVZOPH-AWEZNQCLSA-N 0 3 345.439 3.967 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000808703372 1135715625 /nfs/dbraw/zinc/71/56/25/1135715625.db2.gz XGFUUWFXSULYEO-SUMWQHHRSA-N 0 3 344.842 3.810 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000808706408 1135716966 /nfs/dbraw/zinc/71/69/66/1135716966.db2.gz JLVJLBHUHOHVAA-ZFWWWQNUSA-N 0 3 339.863 3.733 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000808708595 1135717548 /nfs/dbraw/zinc/71/75/48/1135717548.db2.gz NSHLSYRNBLFRNC-ORAYPTAESA-N 0 3 331.843 3.839 20 10 EHCDHN Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808710241 1135718362 /nfs/dbraw/zinc/71/83/62/1135718362.db2.gz NPDZAGKWIKGWMK-LBPRGKRZSA-N 0 3 335.879 3.988 20 10 EHCDHN CCC[C@@]1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000809703527 1135874163 /nfs/dbraw/zinc/87/41/63/1135874163.db2.gz LQYIRBQMHPOXSQ-OAHLLOKOSA-N 0 3 328.250 3.512 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCSC2)c1[O-] ZINC000809777694 1135881740 /nfs/dbraw/zinc/88/17/40/1135881740.db2.gz FFRMUTKHCOATBF-LLVKDONJSA-N 0 3 330.291 3.696 20 10 EHCDHN CCOc1ccc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c([O-])c1 ZINC000809775001 1135881789 /nfs/dbraw/zinc/88/17/89/1135881789.db2.gz WWQHKGDAXCEUMW-IRXDYDNUSA-N 0 3 343.467 3.777 20 10 EHCDHN CCOc1ccc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c([O-])c1 ZINC000809775001 1135881793 /nfs/dbraw/zinc/88/17/93/1135881793.db2.gz WWQHKGDAXCEUMW-IRXDYDNUSA-N 0 3 343.467 3.777 20 10 EHCDHN COc1ccc(CNCc2ccc3c(c2)CCC3)cc1Cn1cccn1 ZINC001199320433 1135897744 /nfs/dbraw/zinc/89/77/44/1135897744.db2.gz MSSGMDKTDXJJKQ-UHFFFAOYSA-N 0 3 347.462 3.719 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219135 1135939092 /nfs/dbraw/zinc/93/90/92/1135939092.db2.gz FQUIMKFXNSMPOI-LNSITVRQSA-N 0 3 330.394 3.934 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccncc2)c1[O-] ZINC000776222500 1136071085 /nfs/dbraw/zinc/07/10/85/1136071085.db2.gz MRVZKXCWXGVPJX-GFCCVEGCSA-N 0 3 335.245 3.579 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000811512508 1136103671 /nfs/dbraw/zinc/10/36/71/1136103671.db2.gz NBLCKWULILAPJG-MJGOQNOKSA-N 0 3 331.843 3.610 20 10 EHCDHN CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000811516198 1136104365 /nfs/dbraw/zinc/10/43/65/1136104365.db2.gz SCUDDVXKYMJIRE-QGZVFWFLSA-N 0 3 342.483 3.790 20 10 EHCDHN CC(C)(C)OC(=O)c1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000776257210 1136113435 /nfs/dbraw/zinc/11/34/35/1136113435.db2.gz JDNRLHZZNASAKT-UHFFFAOYSA-N 0 3 339.435 3.867 20 10 EHCDHN CN(C)c1ccc(/C=C\CNCc2cccnc2N2CCCC2)cc1 ZINC000850353076 1136239469 /nfs/dbraw/zinc/23/94/69/1136239469.db2.gz RTVLGJKPHXKJAS-ALCCZGGFSA-N 0 3 336.483 3.551 20 10 EHCDHN COc1ccc(-c2cc(CNCc3cc(C)c(C)cc3O)on2)cc1 ZINC000850368429 1136242176 /nfs/dbraw/zinc/24/21/76/1136242176.db2.gz MRPLUSGXXBMUNI-UHFFFAOYSA-N 0 3 338.407 3.962 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000850398172 1136249062 /nfs/dbraw/zinc/24/90/62/1136249062.db2.gz QKHGMMWEEKPAJR-HNNXBMFYSA-N 0 3 342.222 3.531 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)cc1F ZINC000850421085 1136255821 /nfs/dbraw/zinc/25/58/21/1136255821.db2.gz VKNDAEPMCKSIAW-FOIQADDNSA-N 0 3 330.447 3.884 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1[O-] ZINC000850499973 1136272099 /nfs/dbraw/zinc/27/20/99/1136272099.db2.gz BIVNSLBNLOHLIH-WBMJQRKESA-N 0 3 344.842 3.592 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1[O-] ZINC000850502839 1136272577 /nfs/dbraw/zinc/27/25/77/1136272577.db2.gz RRMRAJNABZQKAS-VKQKOJTFSA-N 0 3 329.893 3.694 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2N2CCCC2)cc1 ZINC000850502623 1136272876 /nfs/dbraw/zinc/27/28/76/1136272876.db2.gz XZABXZPPRDGUBN-QGZVFWFLSA-N 0 3 338.499 3.989 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000850565525 1136286935 /nfs/dbraw/zinc/28/69/35/1136286935.db2.gz DBQIEWDBJRUGAX-PWSUYJOCSA-N 0 3 329.362 3.610 20 10 EHCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCCC1)[C@@H]1CCOC1 ZINC000851769648 1136406376 /nfs/dbraw/zinc/40/63/76/1136406376.db2.gz KIPLFIZAFLRTMX-YLJYHZDGSA-N 0 3 333.472 3.578 20 10 EHCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCCC1)[C@@H]1CCOC1 ZINC000851769648 1136406378 /nfs/dbraw/zinc/40/63/78/1136406378.db2.gz KIPLFIZAFLRTMX-YLJYHZDGSA-N 0 3 333.472 3.578 20 10 EHCDHN COC(CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000851879339 1136415155 /nfs/dbraw/zinc/41/51/55/1136415155.db2.gz IJMWNYSSFMIIEQ-INIZCTEOSA-N 0 3 329.440 3.964 20 10 EHCDHN COC(CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)OC ZINC000851879339 1136415158 /nfs/dbraw/zinc/41/51/58/1136415158.db2.gz IJMWNYSSFMIIEQ-INIZCTEOSA-N 0 3 329.440 3.964 20 10 EHCDHN Cc1cc(Cl)cc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000815117266 1136551846 /nfs/dbraw/zinc/55/18/46/1136551846.db2.gz CWSLTPGFSFOUOX-UHFFFAOYSA-N 0 3 330.859 3.775 20 10 EHCDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582550 1136614187 /nfs/dbraw/zinc/61/41/87/1136614187.db2.gz JJWQXNPPWZIROF-QKYXUNIQSA-N 0 3 345.508 3.768 20 10 EHCDHN [O-]c1c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc2ccccc21 ZINC000816560366 1136736833 /nfs/dbraw/zinc/73/68/33/1136736833.db2.gz MNIFLIURASWKAK-FQEVSTJZSA-N 0 3 333.431 3.989 20 10 EHCDHN [O-]c1c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc2ccccc21 ZINC000816560366 1136736837 /nfs/dbraw/zinc/73/68/37/1136736837.db2.gz MNIFLIURASWKAK-FQEVSTJZSA-N 0 3 333.431 3.989 20 10 EHCDHN CCOC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCCC1 ZINC000816643209 1136743479 /nfs/dbraw/zinc/74/34/79/1136743479.db2.gz YFDBGLSRDLWWJX-UHFFFAOYSA-N 0 3 342.277 3.902 20 10 EHCDHN CCN(Cc1ccccc1)c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000816669057 1136749032 /nfs/dbraw/zinc/74/90/32/1136749032.db2.gz FXEJMIVXGYMOFZ-UHFFFAOYSA-N 0 3 336.479 3.935 20 10 EHCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170854447 1136775532 /nfs/dbraw/zinc/77/55/32/1136775532.db2.gz QEZJSGMBPMWMKR-HNNXBMFYSA-N 0 3 348.240 3.507 20 10 EHCDHN C[C@@H](NCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000776890580 1136789091 /nfs/dbraw/zinc/78/90/91/1136789091.db2.gz QPJWTENSVOBYHA-CQSZACIVSA-N 0 3 340.895 3.642 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954855 1136851215 /nfs/dbraw/zinc/85/12/15/1136851215.db2.gz LHKZVZTZDHHZBL-IAQYHMDHSA-N 0 3 335.245 3.505 20 10 EHCDHN COc1cc(C)cc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1O ZINC000818287837 1136869729 /nfs/dbraw/zinc/86/97/29/1136869729.db2.gz STVDYFMRLRSDSY-INIZCTEOSA-N 0 3 347.480 3.952 20 10 EHCDHN CCOc1ccc(CNCc2ccc(N(C)C)cc2C)cc1OC ZINC000115629580 1136909420 /nfs/dbraw/zinc/90/94/20/1136909420.db2.gz CYOGQELMRKIAHD-UHFFFAOYSA-N 0 3 328.456 3.758 20 10 EHCDHN Cc1cc(CNCc2cnc(N(C)C)s2)c(C)n1-c1ccccc1 ZINC000858293296 1136955336 /nfs/dbraw/zinc/95/53/36/1136955336.db2.gz LIWKVGPZDUIDIU-UHFFFAOYSA-N 0 3 340.496 3.906 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)cc1[O-] ZINC000858490630 1136973075 /nfs/dbraw/zinc/97/30/75/1136973075.db2.gz KYTLAIRDMZHSPK-QWHCGFSZSA-N 0 3 341.293 3.537 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c1[O-] ZINC000858540134 1136977467 /nfs/dbraw/zinc/97/74/67/1136977467.db2.gz WJSDMWZRKLFDDM-LLVKDONJSA-N 0 3 346.814 3.650 20 10 EHCDHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635555 1137145335 /nfs/dbraw/zinc/14/53/35/1137145335.db2.gz HRCPPVZOVJYNEF-UYAOXDASSA-N 0 3 341.451 3.564 20 10 EHCDHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635555 1137145336 /nfs/dbraw/zinc/14/53/36/1137145336.db2.gz HRCPPVZOVJYNEF-UYAOXDASSA-N 0 3 341.451 3.564 20 10 EHCDHN CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000825201559 1137168776 /nfs/dbraw/zinc/16/87/76/1137168776.db2.gz LXLWQXNVALTHTO-UHFFFAOYSA-N 0 3 343.467 3.858 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)OC(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794810477 1137259476 /nfs/dbraw/zinc/25/94/76/1137259476.db2.gz LIGAOAWRHFBMFV-QGZVFWFLSA-N 0 3 334.460 3.751 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000794808750 1137259597 /nfs/dbraw/zinc/25/95/97/1137259597.db2.gz BXGGUGSINPFQCC-SJLPKXTDSA-N 0 3 330.472 3.532 20 10 EHCDHN CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794811161 1137260927 /nfs/dbraw/zinc/26/09/27/1137260927.db2.gz VLTOYPFMLWMPDT-INIZCTEOSA-N 0 3 336.476 3.998 20 10 EHCDHN CC[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccc(C)cc1O ZINC000794809267 1137261856 /nfs/dbraw/zinc/26/18/56/1137261856.db2.gz FIKLMQQVYLDMQE-OAHLLOKOSA-N 0 3 327.403 3.967 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(C)cc1[O-] ZINC000794812729 1137262495 /nfs/dbraw/zinc/26/24/95/1137262495.db2.gz YXLVTYUBQHZFTL-IRXDYDNUSA-N 0 3 342.414 3.686 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000794815090 1137262648 /nfs/dbraw/zinc/26/26/48/1137262648.db2.gz NDTFBVJWQVTMHQ-PBHICJAKSA-N 0 3 334.460 3.608 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)c1[O-] ZINC000844911543 1137264612 /nfs/dbraw/zinc/26/46/12/1137264612.db2.gz OFPCNUCIOXLSJP-INIZCTEOSA-N 0 3 346.858 3.961 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000866548650 1137364143 /nfs/dbraw/zinc/36/41/43/1137364143.db2.gz XFCZSWNLZJMUMU-BZUAXINKSA-N 0 3 348.487 3.963 20 10 EHCDHN COc1ccc(N2CCC([NH2+][C@H](C)c3cccc([O-])c3F)CC2)cc1 ZINC000872030393 1137566363 /nfs/dbraw/zinc/56/63/63/1137566363.db2.gz DRYAMZJXHMBARI-CQSZACIVSA-N 0 3 344.430 3.860 20 10 EHCDHN CN(C)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000124088395 1137580297 /nfs/dbraw/zinc/58/02/97/1137580297.db2.gz YBYACYIFYXTPHD-UHFFFAOYSA-N 0 3 325.456 3.798 20 10 EHCDHN CN(C)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000124088395 1137580298 /nfs/dbraw/zinc/58/02/98/1137580298.db2.gz YBYACYIFYXTPHD-UHFFFAOYSA-N 0 3 325.456 3.798 20 10 EHCDHN CCCOc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1C ZINC000873013165 1137587995 /nfs/dbraw/zinc/58/79/95/1137587995.db2.gz VOJITBHDHAFRMQ-UHFFFAOYSA-N 0 3 336.439 3.654 20 10 EHCDHN CCN(Cc1ccc(N2CCCC2)o1)Cc1ccc(N(C)C)cc1 ZINC001137070180 1137596382 /nfs/dbraw/zinc/59/63/82/1137596382.db2.gz DHGOGJBNHUMTKV-UHFFFAOYSA-N 0 3 327.472 3.968 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000877484245 1137677911 /nfs/dbraw/zinc/67/79/11/1137677911.db2.gz YZGULCGPSRRLRG-GJZGRUSLSA-N 0 3 334.460 3.578 20 10 EHCDHN COc1cccc(CNCc2cccc(F)c2OC(F)(F)F)c1O ZINC000877525454 1137679755 /nfs/dbraw/zinc/67/97/55/1137679755.db2.gz DFCOGPTXNFUYIH-UHFFFAOYSA-N 0 3 345.292 3.728 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1[O-] ZINC000877661758 1137684775 /nfs/dbraw/zinc/68/47/75/1137684775.db2.gz IKPRNXANUMSLBP-QAPCUYQASA-N 0 3 333.815 3.674 20 10 EHCDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000877757373 1137688241 /nfs/dbraw/zinc/68/82/41/1137688241.db2.gz UVTUIHCWIKUILK-IHRRRGAJSA-N 0 3 341.398 3.800 20 10 EHCDHN C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1O ZINC000877756468 1137688333 /nfs/dbraw/zinc/68/83/33/1137688333.db2.gz KGVLIBSKTJMMAK-SNVBAGLBSA-N 0 3 338.310 3.753 20 10 EHCDHN C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879649246 1137753605 /nfs/dbraw/zinc/75/36/05/1137753605.db2.gz OKHRDZXKAJRRIG-MCIONIFRSA-N 0 3 346.858 3.962 20 10 EHCDHN C[C@H](NCc1cc(NC(=O)OC(C)(C)C)ccn1)c1ccccc1O ZINC000886681405 1138113788 /nfs/dbraw/zinc/11/37/88/1138113788.db2.gz ZCIGGTHUFDFWQF-ZDUSSCGKSA-N 0 3 343.427 3.985 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c([O-])c1 ZINC000092812795 1138232152 /nfs/dbraw/zinc/23/21/52/1138232152.db2.gz IRIRSAMKDPIUHS-INIZCTEOSA-N 0 3 341.455 3.510 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c([O-])c1 ZINC000092812795 1138232155 /nfs/dbraw/zinc/23/21/55/1138232155.db2.gz IRIRSAMKDPIUHS-INIZCTEOSA-N 0 3 341.455 3.510 20 10 EHCDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000093888737 1138242749 /nfs/dbraw/zinc/24/27/49/1138242749.db2.gz LDCSIGRMXJRHKM-CMJOXMDJSA-N 0 3 330.497 3.683 20 10 EHCDHN CCc1nc2c(s1)[C@H](N(C)Cc1cc3c(cc1O)OCO3)CCC2 ZINC000126146362 1138325674 /nfs/dbraw/zinc/32/56/74/1138325674.db2.gz NZPIBUFZVZMTDT-CYBMUJFWSA-N 0 3 346.452 3.649 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000183451795 1140039322 /nfs/dbraw/zinc/03/93/22/1140039322.db2.gz MUMXIGXMSMREPL-KGLIPLIRSA-N 0 3 326.396 3.761 20 10 EHCDHN C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000183458764 1140039967 /nfs/dbraw/zinc/03/99/67/1140039967.db2.gz NWJQJBKEPCRPGS-XCLFUZPHSA-N 0 3 325.408 3.965 20 10 EHCDHN C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000183544211 1140045632 /nfs/dbraw/zinc/04/56/32/1140045632.db2.gz MOTDQNSYMCFODM-CYBMUJFWSA-N 0 3 330.394 3.707 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2cccnc2)c1[O-] ZINC000186983745 1140231508 /nfs/dbraw/zinc/23/15/08/1140231508.db2.gz CYYFIKUOKJVNSM-LBPRGKRZSA-N 0 3 335.245 3.751 20 10 EHCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000190431818 1140403148 /nfs/dbraw/zinc/40/31/48/1140403148.db2.gz YOROTKARDDKBHV-RDJZCZTQSA-N 0 3 349.862 3.580 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c([O-])c1 ZINC000267242952 1140771640 /nfs/dbraw/zinc/77/16/40/1140771640.db2.gz YFDKAPXQHIGNJD-ORAYPTAESA-N 0 3 333.403 3.532 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000271165804 1141317297 /nfs/dbraw/zinc/31/72/97/1141317297.db2.gz RULWSGNCBDHFNP-SFHVURJKSA-N 0 3 339.435 3.644 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000271165804 1141317303 /nfs/dbraw/zinc/31/73/03/1141317303.db2.gz RULWSGNCBDHFNP-SFHVURJKSA-N 0 3 339.435 3.644 20 10 EHCDHN CN(C)c1ccc(CNCc2csc(Br)c2)cc1 ZINC000035251402 522208069 /nfs/dbraw/zinc/20/80/69/522208069.db2.gz QGANTPMWJIRTLL-UHFFFAOYSA-N 0 3 325.275 3.866 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000183517940 1032178014 /nfs/dbraw/zinc/17/80/14/1032178014.db2.gz NBFLHXFGWPGEOC-ZIAGYGMSSA-N 0 3 348.393 3.923 20 10 EHCDHN CC[C@@H](NCc1c(OC)cc(OC)cc1OC)c1ccc(C)cc1O ZINC000280208184 1020179634 /nfs/dbraw/zinc/17/96/34/1020179634.db2.gz TZHYYGVPXOYIAT-QGZVFWFLSA-N 0 3 345.439 3.967 20 10 EHCDHN C[C@@H]1CCCCN1CCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000048794765 1022840220 /nfs/dbraw/zinc/84/02/20/1022840220.db2.gz RXLIWEUOPCUGNN-CYBMUJFWSA-N 0 3 341.293 3.509 20 10 EHCDHN CC[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccccc1[O-] ZINC000156583991 1023559440 /nfs/dbraw/zinc/55/94/40/1023559440.db2.gz TWWLNPSFUWSGJS-HNNXBMFYSA-N 0 3 327.403 3.701 20 10 EHCDHN C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1O ZINC000280908677 1024423437 /nfs/dbraw/zinc/42/34/37/1024423437.db2.gz GGYYWHQHGKRAAZ-BXUZGUMPSA-N 0 3 341.329 3.675 20 10 EHCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156881206 1024634128 /nfs/dbraw/zinc/63/41/28/1024634128.db2.gz DMKRALZQCVTZNA-QAPCUYQASA-N 0 3 347.480 3.685 20 10 EHCDHN Cc1cccc(O)c1CNCc1cc(NC(=O)OC(C)(C)C)ccn1 ZINC000895761759 1024805257 /nfs/dbraw/zinc/80/52/57/1024805257.db2.gz ZWLPZCOHYLEYEI-UHFFFAOYSA-N 0 3 343.427 3.732 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896228541 1025261758 /nfs/dbraw/zinc/26/17/58/1025261758.db2.gz SRABZXZSKFRJAA-CQSZACIVSA-N 0 3 333.325 3.657 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c([O-])c1 ZINC000896228541 1025261773 /nfs/dbraw/zinc/26/17/73/1025261773.db2.gz SRABZXZSKFRJAA-CQSZACIVSA-N 0 3 333.325 3.657 20 10 EHCDHN COc1ccc(CN(C)Cc2cccc(OC(C)C)c2)c(O)c1OC ZINC000892193897 1025365228 /nfs/dbraw/zinc/36/52/28/1025365228.db2.gz ITCZIUCMTXRLOF-UHFFFAOYSA-N 0 3 345.439 3.829 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1[O-] ZINC000359959569 1027884939 /nfs/dbraw/zinc/88/49/39/1027884939.db2.gz WXIZWLIGGGJMSM-KDOFPFPSSA-N 0 3 347.842 3.922 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000126807156 1029783419 /nfs/dbraw/zinc/78/34/19/1029783419.db2.gz QXBLJZIFQAGBDX-INIZCTEOSA-N 0 3 326.488 3.845 20 10 EHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000171128625 1030763974 /nfs/dbraw/zinc/76/39/74/1030763974.db2.gz NKEITAHJSPSECQ-UHFFFAOYSA-N 0 3 347.340 3.887 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000195136725 1032048895 /nfs/dbraw/zinc/04/88/95/1032048895.db2.gz TVTGWUHIIANSEE-DOTOQJQBSA-N 0 3 328.431 3.704 20 10 EHCDHN COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C2CC2)cn1 ZINC000529689260 1034460776 /nfs/dbraw/zinc/46/07/76/1034460776.db2.gz LXESAQIOKYBCIM-QGZVFWFLSA-N 0 3 332.831 3.999 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c([O-])c1 ZINC000185718967 1035524399 /nfs/dbraw/zinc/52/43/99/1035524399.db2.gz UCCFURWKKLTDHU-KBPBESRZSA-N 0 3 331.847 3.679 20 10 EHCDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C(C)C)c(C)cc3O)[C@H]2C1 ZINC000165274951 1036372459 /nfs/dbraw/zinc/37/24/59/1036372459.db2.gz VREFFPUUQPCINP-KPFFTGBYSA-N 0 3 333.472 3.592 20 10 EHCDHN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082360 1038667144 /nfs/dbraw/zinc/66/71/44/1038667144.db2.gz WSMHNDUAXMRAIU-LPHOPBHVSA-N 0 3 341.451 3.707 20 10 EHCDHN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082360 1038667148 /nfs/dbraw/zinc/66/71/48/1038667148.db2.gz WSMHNDUAXMRAIU-LPHOPBHVSA-N 0 3 341.451 3.707 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1[O-] ZINC000183473872 1038713244 /nfs/dbraw/zinc/71/32/44/1038713244.db2.gz WUWVITQOSQFOLS-OAHLLOKOSA-N 0 3 347.418 3.890 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccccc1[O-] ZINC000183626166 1038724284 /nfs/dbraw/zinc/72/42/84/1038724284.db2.gz DPEIHDXFZAQIJV-INIZCTEOSA-N 0 3 341.451 3.939 20 10 EHCDHN CCCN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000728927198 1039504231 /nfs/dbraw/zinc/50/42/31/1039504231.db2.gz MAZJKAONMUWZFJ-PKOBYXMFSA-N 0 3 344.499 3.785 20 10 EHCDHN CN(C)c1ccc(CN(Cc2ccc3oc(=O)oc3c2)C2CC2)cc1 ZINC000893929772 1039841939 /nfs/dbraw/zinc/84/19/39/1039841939.db2.gz WRRRZHFYQUIUBL-UHFFFAOYSA-N 0 3 338.407 3.617 20 10 EHCDHN COc1cc(C)cc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000894085542 1040042826 /nfs/dbraw/zinc/04/28/26/1040042826.db2.gz PENZMSONISHOHM-SHACYNPGSA-N 0 3 347.480 3.640 20 10 EHCDHN CSC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCOCC1 ZINC000756734793 1042175080 /nfs/dbraw/zinc/17/50/80/1042175080.db2.gz ZOAHKSHARSVMGT-YPMHNXCESA-N 0 3 325.449 3.581 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2OC2CCCC2)c1 ZINC000185010310 1126735101 /nfs/dbraw/zinc/73/51/01/1126735101.db2.gz ANWGIBNZTWQHIJ-CQSZACIVSA-N 0 3 342.439 3.968 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c([O-])c1 ZINC000185681063 1126982104 /nfs/dbraw/zinc/98/21/04/1126982104.db2.gz SMYPVUIQJIAVFY-KGLIPLIRSA-N 0 3 332.394 3.908 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H](O)C(F)(F)F ZINC000765788830 1128369027 /nfs/dbraw/zinc/36/90/27/1128369027.db2.gz QASVGCDAKJSGGF-WBVHZDCISA-N 0 3 339.357 3.851 20 10 EHCDHN Cc1cc(CNCc2cccc(C(N)=O)c2)c(C)n1-c1cccc(C)c1 ZINC000914581389 1120911829 /nfs/dbraw/zinc/91/18/29/1120911829.db2.gz CJAJLTGCNLPCQK-UHFFFAOYSA-N 0 3 347.462 3.791 20 10 EHCDHN COC(=O)CCC(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000762786360 1121440762 /nfs/dbraw/zinc/44/07/62/1121440762.db2.gz MOXOEAAPQJQWCY-UHFFFAOYSA-N 0 3 327.424 3.881 20 10 EHCDHN Cc1noc(C[C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)n1 ZINC000922059322 1129067143 /nfs/dbraw/zinc/06/71/43/1129067143.db2.gz KMSVGXXCAKXGRT-LJQANCHMSA-N 0 3 349.434 3.777 20 10 EHCDHN CCc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000765994000 1129615613 /nfs/dbraw/zinc/61/56/13/1129615613.db2.gz PASGGEWQHGYVPA-AWEZNQCLSA-N 0 3 330.451 3.952 20 10 EHCDHN CC[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000701854614 1130180733 /nfs/dbraw/zinc/18/07/33/1130180733.db2.gz DMZDVPDUCVYRHG-FXUPRZHBSA-N 0 3 346.471 3.832 20 10 EHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OC(C)C)CC3)c2c1 ZINC000730564990 1130719958 /nfs/dbraw/zinc/71/99/58/1130719958.db2.gz ZYXIYDXMIJVLHH-UHFFFAOYSA-N 0 3 329.440 3.943 20 10 EHCDHN C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847740 1130849383 /nfs/dbraw/zinc/84/93/83/1130849383.db2.gz NIFPTBNSOIMZJY-APWZRJJASA-N 0 3 344.499 3.832 20 10 EHCDHN C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847740 1130849392 /nfs/dbraw/zinc/84/93/92/1130849392.db2.gz NIFPTBNSOIMZJY-APWZRJJASA-N 0 3 344.499 3.832 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2cccnc2)cc1)Cc1ccccc1[O-] ZINC000732203062 1130900707 /nfs/dbraw/zinc/90/07/07/1130900707.db2.gz NGSNMIRBYCHDOJ-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)Cc1ccccc1[O-] ZINC000732203062 1130900711 /nfs/dbraw/zinc/90/07/11/1130900711.db2.gz NGSNMIRBYCHDOJ-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN Cc1cc(CN2CCCC[C@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000742150616 1131693211 /nfs/dbraw/zinc/69/32/11/1131693211.db2.gz VQLVNCICPYBBSC-KRWDZBQOSA-N 0 3 333.472 3.726 20 10 EHCDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000743477188 1131929803 /nfs/dbraw/zinc/92/98/03/1131929803.db2.gz GRDXCXPBCNFCFR-HOCLYGCPSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000743477188 1131929811 /nfs/dbraw/zinc/92/98/11/1131929811.db2.gz GRDXCXPBCNFCFR-HOCLYGCPSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000743477188 1131929816 /nfs/dbraw/zinc/92/98/16/1131929816.db2.gz GRDXCXPBCNFCFR-HOCLYGCPSA-N 0 3 344.480 3.579 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000743870226 1131995323 /nfs/dbraw/zinc/99/53/23/1131995323.db2.gz MCXIJPUODYGODC-JFIYKMOQSA-N 0 3 332.488 3.688 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000743870226 1131995328 /nfs/dbraw/zinc/99/53/28/1131995328.db2.gz MCXIJPUODYGODC-JFIYKMOQSA-N 0 3 332.488 3.688 20 10 EHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436053 1132093764 /nfs/dbraw/zinc/09/37/64/1132093764.db2.gz KXWFHYLSWIZGSR-OKILXGFUSA-N 0 3 348.240 3.671 20 10 EHCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744436053 1132093768 /nfs/dbraw/zinc/09/37/68/1132093768.db2.gz KXWFHYLSWIZGSR-OKILXGFUSA-N 0 3 348.240 3.671 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001175419554 1132663279 /nfs/dbraw/zinc/66/32/79/1132663279.db2.gz XIKAIZDOVMLGEK-QLFBSQMISA-N 0 3 334.460 3.736 20 10 EHCDHN CC[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000766610440 1132674236 /nfs/dbraw/zinc/67/42/36/1132674236.db2.gz VORQRYVOOATHII-PMACEKPBSA-N 0 3 337.467 3.599 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(Cl)c1 ZINC000768208541 1133107691 /nfs/dbraw/zinc/10/76/91/1133107691.db2.gz SRIAIPLUEXWMPR-UHFFFAOYSA-N 0 3 348.849 3.948 20 10 EHCDHN COc1cccc(O)c1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000768336939 1133126613 /nfs/dbraw/zinc/12/66/13/1133126613.db2.gz CGXNXSDVSBWHQO-UHFFFAOYSA-N 0 3 330.384 3.720 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440905 1133139561 /nfs/dbraw/zinc/13/95/61/1133139561.db2.gz VGOBWNQCPNJZRR-LJQANCHMSA-N 0 3 345.414 3.759 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440905 1133139564 /nfs/dbraw/zinc/13/95/64/1133139564.db2.gz VGOBWNQCPNJZRR-LJQANCHMSA-N 0 3 345.414 3.759 20 10 EHCDHN CCCCN(Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440905 1133139570 /nfs/dbraw/zinc/13/95/70/1133139570.db2.gz VGOBWNQCPNJZRR-LJQANCHMSA-N 0 3 345.414 3.759 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000768529146 1133150351 /nfs/dbraw/zinc/15/03/51/1133150351.db2.gz MBRHZGJTRWHPEV-AWEZNQCLSA-N 0 3 339.863 3.908 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000768529146 1133150353 /nfs/dbraw/zinc/15/03/53/1133150353.db2.gz MBRHZGJTRWHPEV-AWEZNQCLSA-N 0 3 339.863 3.908 20 10 EHCDHN COc1ccc([C@H](CCO)NCc2ccc(N3CCCC3)cc2)cc1 ZINC001178403908 1133166607 /nfs/dbraw/zinc/16/66/07/1133166607.db2.gz AQFMITYGKLZFOI-NRFANRHFSA-N 0 3 340.467 3.509 20 10 EHCDHN CCOc1ccc(C[N@H+](CC)C[C@@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000769482995 1133288116 /nfs/dbraw/zinc/28/81/16/1133288116.db2.gz KHOQIJHORXUBOT-HXUWFJFHSA-N 0 3 329.440 3.655 20 10 EHCDHN CCOc1ccc(C[N@@H+](CC)C[C@@H](O)c2ccc(C)cc2)c([O-])c1 ZINC000769482995 1133288119 /nfs/dbraw/zinc/28/81/19/1133288119.db2.gz KHOQIJHORXUBOT-HXUWFJFHSA-N 0 3 329.440 3.655 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c([O-])c1 ZINC000769458059 1133294756 /nfs/dbraw/zinc/29/47/56/1133294756.db2.gz SMERDYDOMNTSJW-FQEVSTJZSA-N 0 3 343.467 3.810 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c([O-])c1 ZINC000769458059 1133294758 /nfs/dbraw/zinc/29/47/58/1133294758.db2.gz SMERDYDOMNTSJW-FQEVSTJZSA-N 0 3 343.467 3.810 20 10 EHCDHN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000774487314 1133688810 /nfs/dbraw/zinc/68/88/10/1133688810.db2.gz ZAXVZJBJNDJWPF-GJZGRUSLSA-N 0 3 343.446 3.878 20 10 EHCDHN CCN(C/C=C/c1ccc(N(C)C)cc1)CCNC(=O)OC(C)(C)C ZINC001182910711 1133749251 /nfs/dbraw/zinc/74/92/51/1133749251.db2.gz PIWSNQVTFWNNRR-CMDGGOBGSA-N 0 3 347.503 3.612 20 10 EHCDHN CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000785764164 1133750111 /nfs/dbraw/zinc/75/01/11/1133750111.db2.gz QHXASEJOHCNPFX-LJQANCHMSA-N 0 3 347.466 3.875 20 10 EHCDHN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000785764164 1133750116 /nfs/dbraw/zinc/75/01/16/1133750116.db2.gz QHXASEJOHCNPFX-LJQANCHMSA-N 0 3 347.466 3.875 20 10 EHCDHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790537070 1134427523 /nfs/dbraw/zinc/42/75/23/1134427523.db2.gz ASYSLVKHNLNKGJ-CQSZACIVSA-N 0 3 340.423 3.725 20 10 EHCDHN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790537070 1134427526 /nfs/dbraw/zinc/42/75/26/1134427526.db2.gz ASYSLVKHNLNKGJ-CQSZACIVSA-N 0 3 340.423 3.725 20 10 EHCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000840823146 1134451654 /nfs/dbraw/zinc/45/16/54/1134451654.db2.gz XRSZMZUMIGSVQB-HONMWMINSA-N 0 3 328.250 3.681 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(CCC2)CO1 ZINC001192012768 1134956655 /nfs/dbraw/zinc/95/66/55/1134956655.db2.gz JYYZYMCCVOLHDP-OALUTQOASA-N 0 3 345.483 3.723 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(CCC2)CO1 ZINC001192012768 1134956661 /nfs/dbraw/zinc/95/66/61/1134956661.db2.gz JYYZYMCCVOLHDP-OALUTQOASA-N 0 3 345.483 3.723 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2c1c(F)ccc2[O-] ZINC000793576003 1134961860 /nfs/dbraw/zinc/96/18/60/1134961860.db2.gz XBYKZFVZGYMSKO-BDJLRTHQSA-N 0 3 325.387 3.788 20 10 EHCDHN COCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000793619172 1134974277 /nfs/dbraw/zinc/97/42/77/1134974277.db2.gz GBUCYCFISPYDLG-UHFFFAOYSA-N 0 3 327.424 3.630 20 10 EHCDHN CC[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001197004187 1135639486 /nfs/dbraw/zinc/63/94/86/1135639486.db2.gz PFWVIXIZTQQZBL-DYVFJYSZSA-N 0 3 346.858 3.964 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000808715412 1135719836 /nfs/dbraw/zinc/71/98/36/1135719836.db2.gz DCGGYENAIDDIHB-NWDGAFQWSA-N 0 3 342.867 3.918 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000808699058 1135725952 /nfs/dbraw/zinc/72/59/52/1135725952.db2.gz RETLEECOPISGSD-MEDUHNTESA-N 0 3 325.861 3.974 20 10 EHCDHN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699868 1135726133 /nfs/dbraw/zinc/72/61/33/1135726133.db2.gz QRMPKTQINBMSDF-RYUDHWBXSA-N 0 3 335.879 3.986 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1[O-] ZINC000808701760 1135726836 /nfs/dbraw/zinc/72/68/36/1135726836.db2.gz HKTFZALGNQLCQY-TZMCWYRMSA-N 0 3 349.837 3.818 20 10 EHCDHN CCc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775833988 1135799084 /nfs/dbraw/zinc/79/90/84/1135799084.db2.gz NTKZKHZKTDADQQ-HNNXBMFYSA-N 0 3 325.456 3.604 20 10 EHCDHN Cc1cccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1O ZINC000809768528 1135880613 /nfs/dbraw/zinc/88/06/13/1135880613.db2.gz ODTZXHIYFNKHBE-DOTOQJQBSA-N 0 3 329.465 3.701 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758077 1135887557 /nfs/dbraw/zinc/88/75/57/1135887557.db2.gz BSOIEZPSDBGUPZ-KGLIPLIRSA-N 0 3 339.863 3.693 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000809758077 1135887561 /nfs/dbraw/zinc/88/75/61/1135887561.db2.gz BSOIEZPSDBGUPZ-KGLIPLIRSA-N 0 3 339.863 3.693 20 10 EHCDHN CCOC(=O)CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776003197 1135916972 /nfs/dbraw/zinc/91/69/72/1135916972.db2.gz HSWOPBVMOUXWSV-INIZCTEOSA-N 0 3 327.424 3.909 20 10 EHCDHN CCOC(=O)CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776003197 1135916975 /nfs/dbraw/zinc/91/69/75/1135916975.db2.gz HSWOPBVMOUXWSV-INIZCTEOSA-N 0 3 327.424 3.909 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000811512140 1136102986 /nfs/dbraw/zinc/10/29/86/1136102986.db2.gz DWXQLQQRWMMQMU-NRFANRHFSA-N 0 3 339.435 3.761 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000811512140 1136102989 /nfs/dbraw/zinc/10/29/89/1136102989.db2.gz DWXQLQQRWMMQMU-NRFANRHFSA-N 0 3 339.435 3.761 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1[O-] ZINC000776255692 1136110580 /nfs/dbraw/zinc/11/05/80/1136110580.db2.gz GPZZSYQIZWMXOJ-UMVBOHGHSA-N 0 3 329.918 3.823 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000811791796 1136141593 /nfs/dbraw/zinc/14/15/93/1136141593.db2.gz VRBLOVBNKBJDEG-MJGOQNOKSA-N 0 3 345.483 3.929 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1[O-] ZINC000850566864 1136287394 /nfs/dbraw/zinc/28/73/94/1136287394.db2.gz SOZHUJUNHRONQN-LLVKDONJSA-N 0 3 333.806 3.945 20 10 EHCDHN CCC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000850567371 1136287482 /nfs/dbraw/zinc/28/74/82/1136287482.db2.gz BAGHFYJLRYOJCY-FQEVSTJZSA-N 0 3 339.483 3.674 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cnccc2C(F)(F)F)c1O ZINC000853242097 1136521536 /nfs/dbraw/zinc/52/15/36/1136521536.db2.gz VSTIBHIGHSZCAP-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853610955 1136548866 /nfs/dbraw/zinc/54/88/66/1136548866.db2.gz VULJAFCKXTXDNT-DNVCBOLYSA-N 0 3 331.456 3.610 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853610955 1136548868 /nfs/dbraw/zinc/54/88/68/1136548868.db2.gz VULJAFCKXTXDNT-DNVCBOLYSA-N 0 3 331.456 3.610 20 10 EHCDHN Cc1cc(CN2CCC(Oc3ncccc3F)CC2)ccc1N(C)C ZINC000815104007 1136556332 /nfs/dbraw/zinc/55/63/32/1136556332.db2.gz ASLXQRVORYBYLO-UHFFFAOYSA-N 0 3 343.446 3.639 20 10 EHCDHN CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815564051 1136611346 /nfs/dbraw/zinc/61/13/46/1136611346.db2.gz WAPNTVVEDZXRKW-CHWSQXEVSA-N 0 3 330.394 3.794 20 10 EHCDHN [O-]c1c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521256 1136727089 /nfs/dbraw/zinc/72/70/89/1136727089.db2.gz KRMPHLQOUIKEAU-UWJYYQICSA-N 0 3 336.479 3.994 20 10 EHCDHN [O-]c1c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc2ccccc21 ZINC000816521256 1136727090 /nfs/dbraw/zinc/72/70/90/1136727090.db2.gz KRMPHLQOUIKEAU-UWJYYQICSA-N 0 3 336.479 3.994 20 10 EHCDHN COc1ccc(CNCc2ccc(Sc3ccccn3)o2)c(O)c1 ZINC000816597081 1136739876 /nfs/dbraw/zinc/73/98/76/1136739876.db2.gz CVWODNNWEVEPHH-UHFFFAOYSA-N 0 3 342.420 3.830 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000776865242 1136748885 /nfs/dbraw/zinc/74/88/85/1136748885.db2.gz QOWFNPHSIPRJMX-XHSDSOJGSA-N 0 3 334.460 3.608 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817941857 1136848157 /nfs/dbraw/zinc/84/81/57/1136848157.db2.gz LFYXTYXGVPLVRQ-UGSOOPFHSA-N 0 3 347.890 3.771 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817986372 1136855653 /nfs/dbraw/zinc/85/56/53/1136855653.db2.gz PYWYBTREZPGXNR-RYUDHWBXSA-N 0 3 328.378 3.736 20 10 EHCDHN COc1ccc(N2CCC(N[C@@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000818229903 1136868328 /nfs/dbraw/zinc/86/83/28/1136868328.db2.gz HHUMBAQUIVROOU-RTWAWAEBSA-N 0 3 340.442 3.891 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccccc3[O-])C2)cc1 ZINC000818341583 1136872797 /nfs/dbraw/zinc/87/27/97/1136872797.db2.gz BHZCIJJHLFCYJF-CVEARBPZSA-N 0 3 326.440 3.578 20 10 EHCDHN CC[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccccc1[O-] ZINC000818352937 1136875008 /nfs/dbraw/zinc/87/50/08/1136875008.db2.gz QQBQRYYKNGJANU-IBGZPJMESA-N 0 3 340.467 3.572 20 10 EHCDHN Cc1ccc([C@@H](O)[C@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858163344 1136945765 /nfs/dbraw/zinc/94/57/65/1136945765.db2.gz DVXOMFOZDNLFQP-DJJJIMSYSA-N 0 3 334.410 3.551 20 10 EHCDHN COc1ccc([C@H](NCc2ccc(N(C)C)c(F)c2)C2CC2)cn1 ZINC000858342736 1136959993 /nfs/dbraw/zinc/95/99/93/1136959993.db2.gz RXUGXYAOQYMNTQ-LJQANCHMSA-N 0 3 329.419 3.536 20 10 EHCDHN CC1(C)C[C@@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000819901202 1136965612 /nfs/dbraw/zinc/96/56/12/1136965612.db2.gz VDHKWDOPKQEJSL-PKOBYXMFSA-N 0 3 339.435 3.791 20 10 EHCDHN CC1(C)C[C@@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000819901202 1136965614 /nfs/dbraw/zinc/96/56/14/1136965614.db2.gz VDHKWDOPKQEJSL-PKOBYXMFSA-N 0 3 339.435 3.791 20 10 EHCDHN CCOC(=O)c1cc(CNCc2ccc(N(CC)CC)cc2)[nH]c1C ZINC000823671367 1137109189 /nfs/dbraw/zinc/10/91/89/1137109189.db2.gz MTTLQKNYKREMDP-UHFFFAOYSA-N 0 3 343.471 3.636 20 10 EHCDHN Cc1cccc2[nH]c(CN(C)Cc3ccc(N4CCOCC4)cc3)cc21 ZINC000824535810 1137141736 /nfs/dbraw/zinc/14/17/36/1137141736.db2.gz XGDRYUCGOKIQAG-UHFFFAOYSA-N 0 3 349.478 3.945 20 10 EHCDHN CCCN(CCC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000862527685 1137147950 /nfs/dbraw/zinc/14/79/50/1137147950.db2.gz RZZLVDRKURDCCD-NMMYMHLASA-N 0 3 348.556 3.798 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000862527884 1137148064 /nfs/dbraw/zinc/14/80/64/1137148064.db2.gz STDYEHWPLBLSMB-UHFFFAOYSA-N 0 3 345.418 3.637 20 10 EHCDHN Cc1c(F)cc(F)cc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001143764771 1137196632 /nfs/dbraw/zinc/19/66/32/1137196632.db2.gz ZOKGMAZMOVKVOF-UHFFFAOYSA-N 0 3 346.421 3.742 20 10 EHCDHN CC[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794809291 1137261834 /nfs/dbraw/zinc/26/18/34/1137261834.db2.gz FQBIJGJGJDYBBX-SFHVURJKSA-N 0 3 344.430 3.701 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(C)cc1[O-] ZINC000794812795 1137262588 /nfs/dbraw/zinc/26/25/88/1137262588.db2.gz YXLVTYUBQHZFTL-SJORKVTESA-N 0 3 342.414 3.686 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(c3ccc(OC)cn3)CC2)c([O-])c1 ZINC000845996539 1137327399 /nfs/dbraw/zinc/32/73/99/1137327399.db2.gz QGLWUMSSQHOERT-UHFFFAOYSA-N 0 3 342.439 3.574 20 10 EHCDHN COc1cccc([C@H](C)NCc2cccc(C(F)(F)F)n2)c1O ZINC000846170435 1137338030 /nfs/dbraw/zinc/33/80/30/1137338030.db2.gz NTGVMHQNXMIZLC-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN CCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(C)ccn1 ZINC000866240376 1137338129 /nfs/dbraw/zinc/33/81/29/1137338129.db2.gz CUIXOFQFZMNWPE-FQEVSTJZSA-N 0 3 339.483 3.858 20 10 EHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@](C)(O)c1ccccc1 ZINC000846186989 1137340475 /nfs/dbraw/zinc/34/04/75/1137340475.db2.gz IRWLQANLQIVHEQ-CJOHGPIESA-N 0 3 329.415 3.965 20 10 EHCDHN CCc1ccc(CNCc2ccc(OC)c(Cn3cccn3)c2)s1 ZINC000873012549 1137588064 /nfs/dbraw/zinc/58/80/64/1137588064.db2.gz UMWJWUSKGIKTNX-UHFFFAOYSA-N 0 3 341.480 3.854 20 10 EHCDHN COc1ccc(CNCc2cc(C)cs2)cc1Cn1cccn1 ZINC000873130712 1137590903 /nfs/dbraw/zinc/59/09/03/1137590903.db2.gz GJKXRABAADVRHB-UHFFFAOYSA-N 0 3 327.453 3.600 20 10 EHCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)on1 ZINC000876522088 1137654564 /nfs/dbraw/zinc/65/45/64/1137654564.db2.gz HGLSIJBNHVDUQU-UHFFFAOYSA-N 0 3 344.411 3.502 20 10 EHCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)on1 ZINC000876522088 1137654565 /nfs/dbraw/zinc/65/45/65/1137654565.db2.gz HGLSIJBNHVDUQU-UHFFFAOYSA-N 0 3 344.411 3.502 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000877123809 1137670711 /nfs/dbraw/zinc/67/07/11/1137670711.db2.gz OTXSDPZNMLJENJ-HKUYNNGSSA-N 0 3 332.394 3.514 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000877596397 1137682434 /nfs/dbraw/zinc/68/24/34/1137682434.db2.gz MCMRNZJAQIXMAP-UHFFFAOYSA-N 0 3 346.471 3.676 20 10 EHCDHN COc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)c(OC)c1 ZINC000126660897 1137686065 /nfs/dbraw/zinc/68/60/65/1137686065.db2.gz CKPVEWTVFPAWJJ-HNNXBMFYSA-N 0 3 340.467 3.937 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1[O-] ZINC000879649252 1137753633 /nfs/dbraw/zinc/75/36/33/1137753633.db2.gz OKHRDZXKAJRRIG-MJBXVCDLSA-N 0 3 346.858 3.962 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000879650937 1137753815 /nfs/dbraw/zinc/75/38/15/1137753815.db2.gz YNZKARGMRDQTGK-JSGCOSHPSA-N 0 3 339.357 3.665 20 10 EHCDHN Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1C ZINC000879652321 1137753962 /nfs/dbraw/zinc/75/39/62/1137753962.db2.gz CERKJTNSXJFUSB-CVEARBPZSA-N 0 3 326.440 3.537 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c2c1c(F)ccc2[O-] ZINC000883263070 1137851321 /nfs/dbraw/zinc/85/13/21/1137851321.db2.gz GCNODARFYUGEEI-IJEWVQPXSA-N 0 3 349.446 3.645 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2OCC(F)F)c1 ZINC000886153274 1138053574 /nfs/dbraw/zinc/05/35/74/1138053574.db2.gz BESITJHHZCUIKQ-GFCCVEGCSA-N 0 3 337.366 3.896 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000886603333 1138101137 /nfs/dbraw/zinc/10/11/37/1138101137.db2.gz LPVVJFVGNKLERS-NVXWUHKLSA-N 0 3 328.431 3.704 20 10 EHCDHN CCCOc1ccc(CN(C)Cc2ccc(OC)c(O)c2)c(O)c1 ZINC000092405147 1138227338 /nfs/dbraw/zinc/22/73/38/1138227338.db2.gz GQLFQMHYOPSZRM-UHFFFAOYSA-N 0 3 331.412 3.527 20 10 EHCDHN CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1[O-] ZINC000092705035 1138230555 /nfs/dbraw/zinc/23/05/55/1138230555.db2.gz NJTHXUZXQUGDPS-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1[O-] ZINC000092705035 1138230556 /nfs/dbraw/zinc/23/05/56/1138230556.db2.gz NJTHXUZXQUGDPS-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179884583 1139790445 /nfs/dbraw/zinc/79/04/45/1139790445.db2.gz NOBCENWLFMLIES-SWLSCSKDSA-N 0 3 330.815 3.502 20 10 EHCDHN CCOc1ccc(O)c(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000179879951 1139790966 /nfs/dbraw/zinc/79/09/66/1139790966.db2.gz UMVHWCARYGAUFA-UHFFFAOYSA-N 0 3 339.435 3.886 20 10 EHCDHN COc1cc(O)c(CN(C)[C@H](C)c2sc(C)nc2C)cc1OC ZINC000180154013 1139813144 /nfs/dbraw/zinc/81/31/44/1139813144.db2.gz WDWLJZRUHOXPEP-LLVKDONJSA-N 0 3 336.457 3.676 20 10 EHCDHN CCOC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183114475 1140014799 /nfs/dbraw/zinc/01/47/99/1140014799.db2.gz KAHOYCSFMSDIHL-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN CCOC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183114475 1140014806 /nfs/dbraw/zinc/01/48/06/1140014806.db2.gz KAHOYCSFMSDIHL-SFHVURJKSA-N 0 3 341.451 3.830 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000183451752 1140038993 /nfs/dbraw/zinc/03/89/93/1140038993.db2.gz OCMWPCFSVVQSJW-ZIAGYGMSSA-N 0 3 326.396 3.761 20 10 EHCDHN CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183456450 1140039752 /nfs/dbraw/zinc/03/97/52/1140039752.db2.gz XQMPLMMUYAUFJP-HNNXBMFYSA-N 0 3 326.440 3.773 20 10 EHCDHN COc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1OC(F)F ZINC000183479717 1140041568 /nfs/dbraw/zinc/04/15/68/1140041568.db2.gz POWQMZWFERRVKW-LBPRGKRZSA-N 0 3 337.366 3.896 20 10 EHCDHN CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccccc3[O-])ccc2NC1=O ZINC000183540354 1140044518 /nfs/dbraw/zinc/04/45/18/1140044518.db2.gz PJWCPNPWPZBOIV-VBHSOAQHSA-N 0 3 340.423 3.914 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(O[C@H]2CCOC2)c1 ZINC000183557972 1140046155 /nfs/dbraw/zinc/04/61/55/1140046155.db2.gz DGEXAGJRJSRDTA-WBVHZDCISA-N 0 3 327.424 3.719 20 10 EHCDHN C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185049446 1140134088 /nfs/dbraw/zinc/13/40/88/1140134088.db2.gz RQRQGYIATCNXKY-KBXCAEBGSA-N 0 3 342.414 3.546 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186361096 1140200082 /nfs/dbraw/zinc/20/00/82/1140200082.db2.gz OWCLGESICGOMLB-UHFFFAOYSA-N 0 3 326.440 3.688 20 10 EHCDHN COc1ccc(O)c(CN2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000194950506 1140627080 /nfs/dbraw/zinc/62/70/80/1140627080.db2.gz NDKHHKZYDJJBJW-UHFFFAOYSA-N 0 3 347.842 3.538 20 10 EHCDHN COCCOc1ccccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000268821874 1140999613 /nfs/dbraw/zinc/99/96/13/1140999613.db2.gz XTSCWNKGJVSOCF-INIZCTEOSA-N 0 3 328.456 3.629 20 10 EHCDHN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000268873068 1141014768 /nfs/dbraw/zinc/01/47/68/1141014768.db2.gz YGCVXORRUAYPLT-CYBMUJFWSA-N 0 3 329.400 3.520 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1OC)c1ccccc1[O-] ZINC000155215189 1016313626 /nfs/dbraw/zinc/31/36/26/1016313626.db2.gz XAYFALYWFUJMFE-HNNXBMFYSA-N 0 3 331.412 3.659 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000155348102 1016531347 /nfs/dbraw/zinc/53/13/47/1016531347.db2.gz KDWCUUPTMAJKHR-GUYCJALGSA-N 0 3 333.453 3.598 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163616518 1016554730 /nfs/dbraw/zinc/55/47/30/1016554730.db2.gz UOBZSKRPFQFEKD-HOTGVXAUSA-N 0 3 331.504 3.631 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000183517921 1032177550 /nfs/dbraw/zinc/17/75/50/1032177550.db2.gz NBFLHXFGWPGEOC-UONOGXRCSA-N 0 3 348.393 3.923 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000183315754 1032190498 /nfs/dbraw/zinc/19/04/98/1032190498.db2.gz HTBKDEBTXSJGJU-OALUTQOASA-N 0 3 338.451 3.624 20 10 EHCDHN Cc1ccccc1CN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000160522370 1019499904 /nfs/dbraw/zinc/49/99/04/1019499904.db2.gz UWMAWCBRRNCBRU-UHFFFAOYSA-N 0 3 328.431 3.603 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C)cc1[O-] ZINC000280016778 1020010907 /nfs/dbraw/zinc/01/09/07/1020010907.db2.gz HCWQYRAQUJLPEO-VQIMIIECSA-N 0 3 338.451 3.826 20 10 EHCDHN COc1cc(C)cc(CNCc2sccc2Br)c1O ZINC000894241860 1020502791 /nfs/dbraw/zinc/50/27/91/1020502791.db2.gz DCJDYTYSUXRNEX-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1[O-] ZINC000897780575 1033174443 /nfs/dbraw/zinc/17/44/43/1033174443.db2.gz XNSRFXPUUCGHNU-OLQXHTCTSA-N 0 3 340.261 3.510 20 10 EHCDHN COc1ccc(O)c([C@H](C)NC2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000897862510 1033211402 /nfs/dbraw/zinc/21/14/02/1033211402.db2.gz JIQGUVOYSZFEDA-ZDUSSCGKSA-N 0 3 341.407 3.512 20 10 EHCDHN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000156937934 1024659185 /nfs/dbraw/zinc/65/91/85/1024659185.db2.gz KEHBRQGPUAZSGK-IRXDYDNUSA-N 0 3 340.467 3.944 20 10 EHCDHN CC1CCN(c2ccc(CN[C@@H]3CCCc4c3cnn4C)cc2)CC1 ZINC000157521470 1024940524 /nfs/dbraw/zinc/94/05/24/1024940524.db2.gz QGQOTZHUZUIYOE-HXUWFJFHSA-N 0 3 338.499 3.824 20 10 EHCDHN Cc1ccc([C@H](C)NCc2ccncc2OCC(F)(F)F)c(O)c1 ZINC000281644758 1025323815 /nfs/dbraw/zinc/32/38/15/1025323815.db2.gz PFBCMXMRMSYNMG-LBPRGKRZSA-N 0 3 340.345 3.888 20 10 EHCDHN C[C@@H](NCc1ccncc1OCC(F)(F)F)c1ccccc1O ZINC000281825892 1025545918 /nfs/dbraw/zinc/54/59/18/1025545918.db2.gz ZYLJIWCRHKHNRS-LLVKDONJSA-N 0 3 326.318 3.579 20 10 EHCDHN Cc1cc([O-])c(CN[C@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000896717918 1025921050 /nfs/dbraw/zinc/92/10/50/1025921050.db2.gz YFMPWDGBIADZSH-QGZVFWFLSA-N 0 3 333.863 3.532 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000896945959 1026141069 /nfs/dbraw/zinc/14/10/69/1026141069.db2.gz KDCOPZLGBLRDPM-UHFFFAOYSA-N 0 3 344.480 3.726 20 10 EHCDHN Cc1noc(C[C@@H](NCc2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000277672573 1026510586 /nfs/dbraw/zinc/51/05/86/1026510586.db2.gz PAMYVUZPLDWPIG-LJQANCHMSA-N 0 3 336.439 3.518 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1cc(F)ccc1[O-] ZINC000273359387 1027393495 /nfs/dbraw/zinc/39/34/95/1027393495.db2.gz DGHDLYVSRFTIFT-VFZGTOFNSA-N 0 3 327.758 3.708 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1cc(F)ccc1[O-] ZINC000273425101 1027421721 /nfs/dbraw/zinc/42/17/21/1027421721.db2.gz TYJJYCDNYLOMMM-AWEZNQCLSA-N 0 3 329.419 3.767 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c1[O-] ZINC000273777558 1027616390 /nfs/dbraw/zinc/61/63/90/1027616390.db2.gz SAQHIRLBUWXKML-HUUCEWRRSA-N 0 3 327.852 3.738 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622189 1034384252 /nfs/dbraw/zinc/38/42/52/1034384252.db2.gz PLPYIRKDEDSCSC-HNNXBMFYSA-N 0 3 348.393 3.752 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1[O-] ZINC000761203002 1034406907 /nfs/dbraw/zinc/40/69/07/1034406907.db2.gz HRWYIEXODNCWPE-SJCJKPOMSA-N 0 3 347.842 3.878 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1[O-] ZINC000761203002 1034406917 /nfs/dbraw/zinc/40/69/17/1034406917.db2.gz HRWYIEXODNCWPE-SJCJKPOMSA-N 0 3 347.842 3.878 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000761201905 1034421668 /nfs/dbraw/zinc/42/16/68/1034421668.db2.gz IMXJOCOJTSVKFK-DZGCQCFKSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000761201905 1034421677 /nfs/dbraw/zinc/42/16/77/1034421677.db2.gz IMXJOCOJTSVKFK-DZGCQCFKSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(CN2CCS[C@@H]3CCCC[C@@H]32)c1O ZINC000761201905 1034421688 /nfs/dbraw/zinc/42/16/88/1034421688.db2.gz IMXJOCOJTSVKFK-DZGCQCFKSA-N 0 3 327.877 3.914 20 10 EHCDHN CCC(CC)[C@H](CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000761215302 1034582797 /nfs/dbraw/zinc/58/27/97/1034582797.db2.gz JUEXOPSFPCKNOW-HNNXBMFYSA-N 0 3 329.868 3.985 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1[O-] ZINC000761216047 1034584556 /nfs/dbraw/zinc/58/45/56/1034584556.db2.gz OGQJKVMXOBMZTF-CQSZACIVSA-N 0 3 347.842 3.955 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1[O-] ZINC000761216047 1034584565 /nfs/dbraw/zinc/58/45/65/1034584565.db2.gz OGQJKVMXOBMZTF-CQSZACIVSA-N 0 3 347.842 3.955 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccc(F)c1)C1CCC1)[C@@H](O)CO2 ZINC000905748129 1039054020 /nfs/dbraw/zinc/05/40/20/1039054020.db2.gz DYKOLHIZMDJRMX-IBGZPJMESA-N 0 3 343.398 3.512 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccc(F)c1)C1CCC1)[C@@H](O)CO2 ZINC000905748129 1039054038 /nfs/dbraw/zinc/05/40/38/1039054038.db2.gz DYKOLHIZMDJRMX-IBGZPJMESA-N 0 3 343.398 3.512 20 10 EHCDHN COc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)c(O)c1OC ZINC000893475051 1042217314 /nfs/dbraw/zinc/21/73/14/1042217314.db2.gz HWDCHLVDGFSJNB-CMPLNLGQSA-N 0 3 333.350 3.572 20 10 EHCDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)c(=O)n1C ZINC000279629076 1044345454 /nfs/dbraw/zinc/34/54/54/1044345454.db2.gz YXWPDXQYHFAPNH-KRWDZBQOSA-N 0 3 339.483 3.535 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000764974481 1127559029 /nfs/dbraw/zinc/55/90/29/1127559029.db2.gz CZOUCQKUMZFVAX-SFHVURJKSA-N 0 3 345.874 3.503 20 10 EHCDHN COc1cc(C)ccc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000765282380 1127592729 /nfs/dbraw/zinc/59/27/29/1127592729.db2.gz PMWDMWXDAVRYBM-KRWDZBQOSA-N 0 3 340.467 3.691 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1C(F)(F)F ZINC000171936512 1127632653 /nfs/dbraw/zinc/63/26/53/1127632653.db2.gz VJZUZBWAURQOFL-INIZCTEOSA-N 0 3 325.330 3.576 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1C(F)(F)F ZINC000171936512 1127632656 /nfs/dbraw/zinc/63/26/56/1127632656.db2.gz VJZUZBWAURQOFL-INIZCTEOSA-N 0 3 325.330 3.576 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOc4ccccc4C3)c2c1 ZINC000917485228 1122615034 /nfs/dbraw/zinc/61/50/34/1122615034.db2.gz CEAMRWWSTVSFJT-UHFFFAOYSA-N 0 3 335.403 3.949 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOc4ccccc4C3)c2c1 ZINC000917485228 1122615035 /nfs/dbraw/zinc/61/50/35/1122615035.db2.gz CEAMRWWSTVSFJT-UHFFFAOYSA-N 0 3 335.403 3.949 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179891801 1123882219 /nfs/dbraw/zinc/88/22/19/1123882219.db2.gz VPMDXLCSCMVNMG-CJNGLKHVSA-N 0 3 344.842 3.892 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000179878858 1123885910 /nfs/dbraw/zinc/88/59/10/1123885910.db2.gz ZKDWAFWAPXMVKV-ZBEGNZNMSA-N 0 3 325.330 3.795 20 10 EHCDHN COc1ccc(O)c(CN2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000180015207 1123924246 /nfs/dbraw/zinc/92/42/46/1123924246.db2.gz IQCBKXUHZCMENY-QGZVFWFLSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1ccc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000070976376 1125447510 /nfs/dbraw/zinc/44/75/10/1125447510.db2.gz YEHXGDYWLDIISM-HXUWFJFHSA-N 0 3 341.451 3.625 20 10 EHCDHN COc1ccc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000070976376 1125447511 /nfs/dbraw/zinc/44/75/11/1125447511.db2.gz YEHXGDYWLDIISM-HXUWFJFHSA-N 0 3 341.451 3.625 20 10 EHCDHN CCc1cc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000765994005 1129615555 /nfs/dbraw/zinc/61/55/55/1129615555.db2.gz PASGGEWQHGYVPA-CQSZACIVSA-N 0 3 330.451 3.952 20 10 EHCDHN C[N@H+](Cc1c([O-])cccc1F)C1CCN(Cc2ccccc2)CC1 ZINC001137832705 1130221683 /nfs/dbraw/zinc/22/16/83/1130221683.db2.gz DZPMLYDDVIDPQL-UHFFFAOYSA-N 0 3 328.431 3.628 20 10 EHCDHN C[N@@H+](Cc1c([O-])cccc1F)C1CCN(Cc2ccccc2)CC1 ZINC001137832705 1130221692 /nfs/dbraw/zinc/22/16/92/1130221692.db2.gz DZPMLYDDVIDPQL-UHFFFAOYSA-N 0 3 328.431 3.628 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Cl)cc1 ZINC000727830768 1130597683 /nfs/dbraw/zinc/59/76/83/1130597683.db2.gz NEBSHQDRBWTBLF-KRWDZBQOSA-N 0 3 349.858 3.698 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Cl)cc1 ZINC000727830768 1130597687 /nfs/dbraw/zinc/59/76/87/1130597687.db2.gz NEBSHQDRBWTBLF-KRWDZBQOSA-N 0 3 349.858 3.698 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](N4CCCCC4)C3)c2c1 ZINC000730804792 1130740349 /nfs/dbraw/zinc/74/03/49/1130740349.db2.gz JUDCWLZQALXXHT-KRWDZBQOSA-N 0 3 340.467 3.614 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](N4CCCCC4)C3)c2c1 ZINC000730804792 1130740353 /nfs/dbraw/zinc/74/03/53/1130740353.db2.gz JUDCWLZQALXXHT-KRWDZBQOSA-N 0 3 340.467 3.614 20 10 EHCDHN CC(C)N(C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(C)C ZINC000731845503 1130850045 /nfs/dbraw/zinc/85/00/45/1130850045.db2.gz BJJWIEFQUWNOSN-UHFFFAOYSA-N 0 3 332.488 3.782 20 10 EHCDHN CC(C)N(C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(C)C ZINC000731845503 1130850050 /nfs/dbraw/zinc/85/00/50/1130850050.db2.gz BJJWIEFQUWNOSN-UHFFFAOYSA-N 0 3 332.488 3.782 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1COc2ccccc2O1)C1CCCC1 ZINC000733613463 1131061550 /nfs/dbraw/zinc/06/15/50/1131061550.db2.gz XCLJISGXPUAWDN-SFHVURJKSA-N 0 3 339.435 3.977 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1COc2ccccc2O1)C1CCCC1 ZINC000733613463 1131061557 /nfs/dbraw/zinc/06/15/57/1131061557.db2.gz XCLJISGXPUAWDN-SFHVURJKSA-N 0 3 339.435 3.977 20 10 EHCDHN CCOc1ccc(N2CCN([C@@H](C)CCOCC(C)C)CC2)cc1 ZINC001172478161 1131737286 /nfs/dbraw/zinc/73/72/86/1131737286.db2.gz GWOQXRFBPNFQOZ-SFHVURJKSA-N 0 3 334.504 3.659 20 10 EHCDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000743477184 1131930114 /nfs/dbraw/zinc/93/01/14/1131930114.db2.gz GRDXCXPBCNFCFR-GDBMZVCRSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000743477184 1131930123 /nfs/dbraw/zinc/93/01/23/1131930123.db2.gz GRDXCXPBCNFCFR-GDBMZVCRSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000743477184 1131930129 /nfs/dbraw/zinc/93/01/29/1131930129.db2.gz GRDXCXPBCNFCFR-GDBMZVCRSA-N 0 3 344.480 3.579 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccccc1C ZINC000743869900 1131995881 /nfs/dbraw/zinc/99/58/81/1131995881.db2.gz FSLBXEZXHITONJ-QGZVFWFLSA-N 0 3 340.467 3.618 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccccc1C ZINC000743869900 1131995886 /nfs/dbraw/zinc/99/58/86/1131995886.db2.gz FSLBXEZXHITONJ-QGZVFWFLSA-N 0 3 340.467 3.618 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000743869849 1131996295 /nfs/dbraw/zinc/99/62/95/1131996295.db2.gz CIGOJPKKYSKZKC-IBGZPJMESA-N 0 3 338.451 3.800 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000743869849 1131996301 /nfs/dbraw/zinc/99/63/01/1131996301.db2.gz CIGOJPKKYSKZKC-IBGZPJMESA-N 0 3 338.451 3.800 20 10 EHCDHN COc1cc(CN(Cc2ccccc2OC)C2CC2)c(O)cc1C ZINC000768440653 1133138982 /nfs/dbraw/zinc/13/89/82/1133138982.db2.gz TYMQIUDTPHBXNQ-UHFFFAOYSA-N 0 3 327.424 3.882 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440903 1133139358 /nfs/dbraw/zinc/13/93/58/1133139358.db2.gz VGOBWNQCPNJZRR-IBGZPJMESA-N 0 3 345.414 3.759 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440903 1133139361 /nfs/dbraw/zinc/13/93/61/1133139361.db2.gz VGOBWNQCPNJZRR-IBGZPJMESA-N 0 3 345.414 3.759 20 10 EHCDHN CCCCN(Cc1ccccc1F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440903 1133139365 /nfs/dbraw/zinc/13/93/65/1133139365.db2.gz VGOBWNQCPNJZRR-IBGZPJMESA-N 0 3 345.414 3.759 20 10 EHCDHN CCOc1ccc(CN(CC)Cc2ccc(OC)cc2OC)c(O)c1 ZINC000768492267 1133148911 /nfs/dbraw/zinc/14/89/11/1133148911.db2.gz KYDXHSMVKVXVRY-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN CCOc1cccc(C[N@H+](C)CCCc2ccc(OC)cc2)c1[O-] ZINC000768920017 1133203981 /nfs/dbraw/zinc/20/39/81/1133203981.db2.gz FDKXOVVKOHOJQL-UHFFFAOYSA-N 0 3 329.440 3.864 20 10 EHCDHN CCOc1cccc(C[N@@H+](C)CCCc2ccc(OC)cc2)c1[O-] ZINC000768920017 1133203986 /nfs/dbraw/zinc/20/39/86/1133203986.db2.gz FDKXOVVKOHOJQL-UHFFFAOYSA-N 0 3 329.440 3.864 20 10 EHCDHN Cc1cccc(NCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])n1 ZINC000769401030 1133277475 /nfs/dbraw/zinc/27/74/75/1133277475.db2.gz LDXKGSQTKHODGW-UHFFFAOYSA-N 0 3 333.435 3.964 20 10 EHCDHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000771389376 1133551232 /nfs/dbraw/zinc/55/12/32/1133551232.db2.gz RKUWOASEGNXZQH-CVEARBPZSA-N 0 3 343.446 3.778 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]Cc2cscc2C)c1[O-] ZINC000785520789 1133717256 /nfs/dbraw/zinc/71/72/56/1133717256.db2.gz BWFKOKCJAFTTNT-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1cc(F)ccc1[O-] ZINC000785569844 1133728742 /nfs/dbraw/zinc/72/87/42/1133728742.db2.gz LLERZBXPCDRKDD-CYBMUJFWSA-N 0 3 348.849 3.894 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)c([O-])c1 ZINC001183239020 1133780176 /nfs/dbraw/zinc/78/01/76/1133780176.db2.gz RXGMKFYNWMCAFA-OAHLLOKOSA-N 0 3 334.822 3.862 20 10 EHCDHN COc1cc(CN2CCO[C@@H](C(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC001183281930 1133783666 /nfs/dbraw/zinc/78/36/66/1133783666.db2.gz OLRICFJEWQMZJT-OAHLLOKOSA-N 0 3 343.414 3.554 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccccc1[O-] ZINC001183354402 1133792646 /nfs/dbraw/zinc/79/26/46/1133792646.db2.gz ATXFRJUCLSEGLU-DAXOMENPSA-N 0 3 334.460 3.735 20 10 EHCDHN C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccccc1[O-] ZINC001183354403 1133792666 /nfs/dbraw/zinc/79/26/66/1133792666.db2.gz ATXFRJUCLSEGLU-KCXAZCMYSA-N 0 3 334.460 3.735 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC001183483633 1133812110 /nfs/dbraw/zinc/81/21/10/1133812110.db2.gz ZZSRHNBLPVTIBQ-RTWAWAEBSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cscc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000786925372 1133929450 /nfs/dbraw/zinc/92/94/50/1133929450.db2.gz GQJRFCYCYWJTJK-AWEZNQCLSA-N 0 3 334.460 3.883 20 10 EHCDHN CN(C)c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000746720249 1134061219 /nfs/dbraw/zinc/06/12/19/1134061219.db2.gz DSQRSGADWKPCPJ-GOSISDBHSA-N 0 3 330.497 3.995 20 10 EHCDHN CCn1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)c1=O ZINC000788606406 1134150401 /nfs/dbraw/zinc/15/04/01/1134150401.db2.gz GPSFAMHCSPMHSZ-KRWDZBQOSA-N 0 3 339.483 3.709 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000788777958 1134174754 /nfs/dbraw/zinc/17/47/54/1134174754.db2.gz QNCMNBORUPPMJP-GDBMZVCRSA-N 0 3 349.421 3.789 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC000775129599 1134352188 /nfs/dbraw/zinc/35/21/88/1134352188.db2.gz GNISPYFIRYORLZ-ZBEGNZNMSA-N 0 3 341.329 3.675 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790736016 1134459764 /nfs/dbraw/zinc/45/97/64/1134459764.db2.gz HKBMGCRQXWEZOZ-RDTXWAMCSA-N 0 3 335.394 3.562 20 10 EHCDHN CCC(CC)[C@H](C[NH2+][C@@H](CC)c1ccccc1[O-])N1CCOCC1 ZINC000775492471 1134946542 /nfs/dbraw/zinc/94/65/42/1134946542.db2.gz OBYYDMSYNSOPGO-OALUTQOASA-N 0 3 334.504 3.570 20 10 EHCDHN CCc1ccc(CCN2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC001192108043 1134966804 /nfs/dbraw/zinc/96/68/04/1134966804.db2.gz PDGCOHJXHBZRED-UHFFFAOYSA-N 0 3 342.458 3.761 20 10 EHCDHN CCOc1cccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000793617911 1134974268 /nfs/dbraw/zinc/97/42/68/1134974268.db2.gz XXTWSXIAMSUXNA-HIFRSBDPSA-N 0 3 330.255 3.807 20 10 EHCDHN COc1cc(C)cc(CN2CCN(c3cccc(F)c3)C[C@@H]2C)c1O ZINC000793734319 1134986534 /nfs/dbraw/zinc/98/65/34/1134986534.db2.gz VNDSLLUNLYKJDC-HNNXBMFYSA-N 0 3 344.430 3.559 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000775696755 1135532533 /nfs/dbraw/zinc/53/25/33/1135532533.db2.gz NVNSHXNKPAUHTD-GOSISDBHSA-N 0 3 331.843 3.836 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000775696755 1135532535 /nfs/dbraw/zinc/53/25/35/1135532535.db2.gz NVNSHXNKPAUHTD-GOSISDBHSA-N 0 3 331.843 3.836 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1cccc2ncccc21 ZINC001197004217 1135639540 /nfs/dbraw/zinc/63/95/40/1135639540.db2.gz QCPAPRQXQANUHT-ZIAGYGMSSA-N 0 3 335.407 3.618 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000808239595 1135640215 /nfs/dbraw/zinc/64/02/15/1135640215.db2.gz XMSWVBDLWFWCRZ-UHFFFAOYSA-N 0 3 333.387 3.919 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000808239595 1135640218 /nfs/dbraw/zinc/64/02/18/1135640218.db2.gz XMSWVBDLWFWCRZ-UHFFFAOYSA-N 0 3 333.387 3.919 20 10 EHCDHN CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808697324 1135724967 /nfs/dbraw/zinc/72/49/67/1135724967.db2.gz DGRDUMIDHFGKFX-CYBMUJFWSA-N 0 3 346.858 3.607 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCSC2)c1[O-] ZINC000809777695 1135881657 /nfs/dbraw/zinc/88/16/57/1135881657.db2.gz FFRMUTKHCOATBF-NSHDSACASA-N 0 3 330.291 3.696 20 10 EHCDHN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809757512 1135887209 /nfs/dbraw/zinc/88/72/09/1135887209.db2.gz PCTCYOWBNFYJSJ-SFHVURJKSA-N 0 3 333.435 3.782 20 10 EHCDHN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809757512 1135887213 /nfs/dbraw/zinc/88/72/13/1135887213.db2.gz PCTCYOWBNFYJSJ-SFHVURJKSA-N 0 3 333.435 3.782 20 10 EHCDHN O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809780328 1135890256 /nfs/dbraw/zinc/89/02/56/1135890256.db2.gz USNOJSQUIMLITA-GOSISDBHSA-N 0 3 346.471 3.806 20 10 EHCDHN O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809780328 1135890258 /nfs/dbraw/zinc/89/02/58/1135890258.db2.gz USNOJSQUIMLITA-GOSISDBHSA-N 0 3 346.471 3.806 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2COc3ccccc32)c1[O-] ZINC000809790410 1135892733 /nfs/dbraw/zinc/89/27/33/1135892733.db2.gz FISYEWGVLNQJAE-ZDUSSCGKSA-N 0 3 348.240 3.729 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1cccc(N2CCOC2=O)c1 ZINC001199639438 1135916995 /nfs/dbraw/zinc/91/69/95/1135916995.db2.gz KXURSGUJKQFXBY-UHFFFAOYSA-N 0 3 349.434 3.733 20 10 EHCDHN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000776012570 1135919720 /nfs/dbraw/zinc/91/97/20/1135919720.db2.gz HQUDLTAWDZENQT-RHSMWYFYSA-N 0 3 342.405 3.686 20 10 EHCDHN COc1cc(O)c(CN[C@@H]2CCCOc3ccc(F)cc32)cc1OC ZINC000776039894 1135940783 /nfs/dbraw/zinc/94/07/83/1135940783.db2.gz BKHHRXWPTDXOPJ-OAHLLOKOSA-N 0 3 347.386 3.552 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2(CCO)CCCCC2)c1[O-] ZINC000776229200 1136078023 /nfs/dbraw/zinc/07/80/23/1136078023.db2.gz AAFDOSCJJUQIJB-UHFFFAOYSA-N 0 3 342.277 3.638 20 10 EHCDHN Oc1cc2c(cc1CN1CC[C@@H](n3cc(Cl)cn3)C1)CCCC2 ZINC000811801502 1136138413 /nfs/dbraw/zinc/13/84/13/1136138413.db2.gz NBTHICCPEHRBFJ-QGZVFWFLSA-N 0 3 331.847 3.568 20 10 EHCDHN CN(c1ccc(CNCc2cnn3c2CCC3)cc1)C1CCCCC1 ZINC000850095810 1136209912 /nfs/dbraw/zinc/20/99/12/1136209912.db2.gz LUBJKIRYLAXHMP-UHFFFAOYSA-N 0 3 338.499 3.888 20 10 EHCDHN COc1ccc(N2CC[C@@H](NCc3ccccc3OC(F)F)C2)cc1 ZINC000850346734 1136238968 /nfs/dbraw/zinc/23/89/68/1136238968.db2.gz XXJFALRBWJWISL-OAHLLOKOSA-N 0 3 348.393 3.665 20 10 EHCDHN CSc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406856 1136251317 /nfs/dbraw/zinc/25/13/17/1136251317.db2.gz WTUWOCXWYQCYNA-UHFFFAOYSA-N 0 3 348.537 3.721 20 10 EHCDHN CCc1cccnc1[C@@H](C)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489820 1136270166 /nfs/dbraw/zinc/27/01/66/1136270166.db2.gz XFUAAVITWFXLMM-NVXWUHKLSA-N 0 3 325.456 3.582 20 10 EHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000850505622 1136273543 /nfs/dbraw/zinc/27/35/43/1136273543.db2.gz UHSPCZHCSHWUKM-UKRRQHHQSA-N 0 3 329.362 3.859 20 10 EHCDHN COc1cccc([C@H](C)NCc2cccc(OC3CC3)c2F)c1O ZINC000850520659 1136276653 /nfs/dbraw/zinc/27/66/53/1136276653.db2.gz FGECFZQLQUOEDE-LBPRGKRZSA-N 0 3 331.387 3.932 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000850531185 1136280123 /nfs/dbraw/zinc/28/01/23/1136280123.db2.gz CRBNMJGZUHTBML-ZBINZKHDSA-N 0 3 331.790 3.819 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)c1[O-] ZINC000850570084 1136288466 /nfs/dbraw/zinc/28/84/66/1136288466.db2.gz DCZFZWYUXXMVJW-NWDGAFQWSA-N 0 3 342.277 3.929 20 10 EHCDHN O=C(CNCc1ccc(N2CCCCC2)cc1)Nc1cccc(F)c1 ZINC000747853049 1136325675 /nfs/dbraw/zinc/32/56/75/1136325675.db2.gz VTQMKKTTZJQOFY-UHFFFAOYSA-N 0 3 341.430 3.544 20 10 EHCDHN CCOc1cccc(CN2CCN(c3cccc(F)c3)C[C@@H]2C)c1O ZINC000814178335 1136412172 /nfs/dbraw/zinc/41/21/72/1136412172.db2.gz MMIANDIHZHSAKU-HNNXBMFYSA-N 0 3 344.430 3.641 20 10 EHCDHN CN(C)C1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCCC1 ZINC000110243894 1136414220 /nfs/dbraw/zinc/41/42/20/1136414220.db2.gz XVFYZNBGBBSTCJ-UHFFFAOYSA-N 0 3 341.293 3.509 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000379820259 1136439000 /nfs/dbraw/zinc/43/90/00/1136439000.db2.gz VUEBSUDHQHBAHR-HOCLYGCPSA-N 0 3 334.460 3.832 20 10 EHCDHN C[C@H]1CC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H](C)C1 ZINC001134686304 1136509402 /nfs/dbraw/zinc/50/94/02/1136509402.db2.gz GZNZWDVPFXUWMM-JXXFODFXSA-N 0 3 345.531 3.544 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnccc2C(F)(F)F)c1 ZINC000853241394 1136521560 /nfs/dbraw/zinc/52/15/60/1136521560.db2.gz LWXQNAXRNCUBKL-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c([O-])c1 ZINC000815142393 1136561803 /nfs/dbraw/zinc/56/18/03/1136561803.db2.gz RYIKCXPIFGZVIJ-UHFFFAOYSA-N 0 3 340.345 3.537 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCNc1cnccn1 ZINC000815589026 1136616044 /nfs/dbraw/zinc/61/60/44/1136616044.db2.gz GJWNTBNFIFQVMT-LJQANCHMSA-N 0 3 348.450 3.558 20 10 EHCDHN C[C@H](CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])[S@](C)=O ZINC000815596788 1136616970 /nfs/dbraw/zinc/61/69/70/1136616970.db2.gz DUYULZCIKQDMNG-MTJJIEKYSA-N 0 3 345.508 3.813 20 10 EHCDHN [O-]c1c(C[NH+]2CCN(Cc3cccc(O)c3)CC2)ccc2ccccc21 ZINC000816499931 1136727585 /nfs/dbraw/zinc/72/75/85/1136727585.db2.gz DQIBSXZWNUHPFP-UHFFFAOYSA-N 0 3 348.446 3.569 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000816627710 1136739338 /nfs/dbraw/zinc/73/93/38/1136739338.db2.gz VCHKPAXNMMGFOE-CYBMUJFWSA-N 0 3 344.386 3.729 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000816659602 1136746128 /nfs/dbraw/zinc/74/61/28/1136746128.db2.gz UFWALLXMFJHJNR-HNNXBMFYSA-N 0 3 333.815 3.708 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000816659602 1136746131 /nfs/dbraw/zinc/74/61/31/1136746131.db2.gz UFWALLXMFJHJNR-HNNXBMFYSA-N 0 3 333.815 3.708 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(F)c3C)c2)CC1 ZINC000817444854 1136811487 /nfs/dbraw/zinc/81/14/87/1136811487.db2.gz NBUHYONVNSOQED-UHFFFAOYSA-N 0 3 341.430 3.528 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)c1[O-] ZINC000817954900 1136850873 /nfs/dbraw/zinc/85/08/73/1136850873.db2.gz MINAMAPZPTUIHK-MLGOLLRUSA-N 0 3 349.272 3.814 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954120 1136851188 /nfs/dbraw/zinc/85/11/88/1136851188.db2.gz BUWMECSOZWRWSM-HZPDHXFCSA-N 0 3 349.272 3.895 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817972574 1136853941 /nfs/dbraw/zinc/85/39/41/1136853941.db2.gz XYBDAOPHKCVCQJ-WCABBAIRSA-N 0 3 347.684 3.599 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3cccnc3Cl)C2)cc1 ZINC000818344057 1136873206 /nfs/dbraw/zinc/87/32/06/1136873206.db2.gz IJVRQZIIRMOQLV-LSDHHAIUSA-N 0 3 345.874 3.921 20 10 EHCDHN CN(C)c1cc(F)c(CNC[C@H](O)c2ccc(Cl)cc2)cc1F ZINC000858091079 1136938718 /nfs/dbraw/zinc/93/87/18/1136938718.db2.gz NVYRSZWENXDIIO-KRWDZBQOSA-N 0 3 340.801 3.507 20 10 EHCDHN CCN(CC)c1ccc(CNC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858209532 1136949673 /nfs/dbraw/zinc/94/96/73/1136949673.db2.gz NMIJOLPISFCWRN-MRXNPFEDSA-N 0 3 340.393 3.623 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858447763 1136968553 /nfs/dbraw/zinc/96/85/53/1136968553.db2.gz IQQIUDOANLYLOI-CJNGLKHVSA-N 0 3 340.393 3.793 20 10 EHCDHN COc1cc(F)cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000823386714 1137097503 /nfs/dbraw/zinc/09/75/03/1137097503.db2.gz KSDVHNDLHDQRJE-GOSISDBHSA-N 0 3 345.414 3.721 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1 ZINC000823609433 1137106447 /nfs/dbraw/zinc/10/64/47/1137106447.db2.gz WDTBNMQIRSKYJP-UHFFFAOYSA-N 0 3 326.440 3.594 20 10 EHCDHN CCN1CCN(c2ccc(CNCc3csc(C)c3)cc2F)CC1 ZINC000823802294 1137115243 /nfs/dbraw/zinc/11/52/43/1137115243.db2.gz YHXBGNHGFMQLDM-UHFFFAOYSA-N 0 3 347.503 3.627 20 10 EHCDHN COCc1csc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000824506988 1137142378 /nfs/dbraw/zinc/14/23/78/1137142378.db2.gz CPIMUBOBIGYVDL-KRWDZBQOSA-N 0 3 347.480 3.781 20 10 EHCDHN COCc1csc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000824506988 1137142380 /nfs/dbraw/zinc/14/23/80/1137142380.db2.gz CPIMUBOBIGYVDL-KRWDZBQOSA-N 0 3 347.480 3.781 20 10 EHCDHN COCc1csc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000824506988 1137142381 /nfs/dbraw/zinc/14/23/81/1137142381.db2.gz CPIMUBOBIGYVDL-KRWDZBQOSA-N 0 3 347.480 3.781 20 10 EHCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000862478795 1137145866 /nfs/dbraw/zinc/14/58/66/1137145866.db2.gz QSWXGXMHPQCEEA-RDJZCZTQSA-N 0 3 348.487 3.826 20 10 EHCDHN CCCN(CCC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000862527687 1137147961 /nfs/dbraw/zinc/14/79/61/1137147961.db2.gz RZZLVDRKURDCCD-JXALWOEJSA-N 0 3 348.556 3.798 20 10 EHCDHN CS[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824683618 1137148143 /nfs/dbraw/zinc/14/81/43/1137148143.db2.gz SMTLACLMVWXBPB-GOSISDBHSA-N 0 3 329.465 3.909 20 10 EHCDHN CS[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824683618 1137148144 /nfs/dbraw/zinc/14/81/44/1137148144.db2.gz SMTLACLMVWXBPB-GOSISDBHSA-N 0 3 329.465 3.909 20 10 EHCDHN CO[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1C ZINC000824815695 1137153648 /nfs/dbraw/zinc/15/36/48/1137153648.db2.gz WYSJJCDQRHAGSZ-KKSFZXQISA-N 0 3 341.451 3.828 20 10 EHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1C ZINC000824815695 1137153650 /nfs/dbraw/zinc/15/36/50/1137153650.db2.gz WYSJJCDQRHAGSZ-KKSFZXQISA-N 0 3 341.451 3.828 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000824893012 1137155966 /nfs/dbraw/zinc/15/59/66/1137155966.db2.gz INISQJYQVIUKED-MSOLQXFVSA-N 0 3 331.456 3.572 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000824893012 1137155968 /nfs/dbraw/zinc/15/59/68/1137155968.db2.gz INISQJYQVIUKED-MSOLQXFVSA-N 0 3 331.456 3.572 20 10 EHCDHN CC[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc(C)cc1[O-] ZINC000794798084 1137251570 /nfs/dbraw/zinc/25/15/70/1137251570.db2.gz SQIANYLTDKTBDQ-ICSRJNTNSA-N 0 3 326.484 3.914 20 10 EHCDHN CC[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794818574 1137265480 /nfs/dbraw/zinc/26/54/80/1137265480.db2.gz UBBAFJAEIDMOLG-NVXWUHKLSA-N 0 3 327.424 3.971 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccnn2-c2ccccc2C)c1 ZINC000845970664 1137322386 /nfs/dbraw/zinc/32/23/86/1137322386.db2.gz BJFATYALWIXUES-OAHLLOKOSA-N 0 3 337.423 3.746 20 10 EHCDHN COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1cccc(OC)c1O ZINC000846148292 1137336226 /nfs/dbraw/zinc/33/62/26/1137336226.db2.gz PYVKCQYWTCIHPX-BLLLJJGKSA-N 0 3 329.396 3.584 20 10 EHCDHN c1cnc2c(c1)[C@H](NCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000866237992 1137337997 /nfs/dbraw/zinc/33/79/97/1137337997.db2.gz LHBLWHITTDHJGO-HXUWFJFHSA-N 0 3 339.508 3.802 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@@H](O)C(F)F ZINC000866442504 1137355232 /nfs/dbraw/zinc/35/52/32/1137355232.db2.gz NJOTZFFYUGKWEE-FUHWJXTLSA-N 0 3 335.394 3.672 20 10 EHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1N(C)C ZINC000122469079 1137440735 /nfs/dbraw/zinc/44/07/35/1137440735.db2.gz BSCBZPPJBGGGFU-CYBMUJFWSA-N 0 3 333.426 3.948 20 10 EHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1N(C)C ZINC000122468822 1137440777 /nfs/dbraw/zinc/44/07/77/1137440777.db2.gz BSCBZPPJBGGGFU-ZDUSSCGKSA-N 0 3 333.426 3.948 20 10 EHCDHN CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccccc1[O-] ZINC000123227438 1137502250 /nfs/dbraw/zinc/50/22/50/1137502250.db2.gz SGAOPNPHDHVXEX-UHFFFAOYSA-N 0 3 340.345 3.753 20 10 EHCDHN COc1ccc(N2CCN([C@@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172194248 1137543061 /nfs/dbraw/zinc/54/30/61/1137543061.db2.gz SPMFGXVBWUZGMC-SFHVURJKSA-N 0 3 340.492 3.534 20 10 EHCDHN CCCOc1ccc(CNCc2ccc(CNC(C)=O)cc2)cc1C ZINC000873135074 1137591111 /nfs/dbraw/zinc/59/11/11/1137591111.db2.gz TZGFZMRFLATXCZ-UHFFFAOYSA-N 0 3 340.467 3.710 20 10 EHCDHN CN(C)c1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1F ZINC000124581238 1137603529 /nfs/dbraw/zinc/60/35/29/1137603529.db2.gz UOANZXLQNOZJGZ-OAQYLSRUSA-N 0 3 342.458 3.837 20 10 EHCDHN OC1CCN(c2ccc(CN(Cc3cccs3)C3CC3)cc2)CC1 ZINC000876571304 1137655831 /nfs/dbraw/zinc/65/58/31/1137655831.db2.gz ITZGSFBRXFISLX-UHFFFAOYSA-N 0 3 342.508 3.874 20 10 EHCDHN Cc1cccc(CC2(O)CC[NH+](Cc3c(C)cccc3[O-])CC2)c1 ZINC000877491691 1137678351 /nfs/dbraw/zinc/67/83/51/1137678351.db2.gz VIQZSQWFPYEMNA-UHFFFAOYSA-N 0 3 325.452 3.579 20 10 EHCDHN COc1cc(Cl)cc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000877730050 1137686918 /nfs/dbraw/zinc/68/69/18/1137686918.db2.gz KQKYZMLBUKGUMZ-UHFFFAOYSA-N 0 3 336.775 3.561 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1[O-] ZINC000877730050 1137686919 /nfs/dbraw/zinc/68/69/19/1137686919.db2.gz KQKYZMLBUKGUMZ-UHFFFAOYSA-N 0 3 336.775 3.561 20 10 EHCDHN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000877757372 1137688256 /nfs/dbraw/zinc/68/82/56/1137688256.db2.gz UVTUIHCWIKUILK-BFHYXJOUSA-N 0 3 341.398 3.800 20 10 EHCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1 ZINC000187243763 1137839417 /nfs/dbraw/zinc/83/94/17/1137839417.db2.gz OIEJOEGLRUHOAD-IBGZPJMESA-N 0 3 326.440 3.585 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883394802 1137859449 /nfs/dbraw/zinc/85/94/49/1137859449.db2.gz HDWWKOPMBITPPH-KRWDZBQOSA-N 0 3 325.408 3.555 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000886711525 1138122491 /nfs/dbraw/zinc/12/24/91/1138122491.db2.gz XPMHQGVCJOQKDQ-IAGOWNOFSA-N 0 3 333.472 3.717 20 10 EHCDHN CC1(C)Cc2occc2[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000151062293 1139005473 /nfs/dbraw/zinc/00/54/73/1139005473.db2.gz YPEXCMMFWNCXEK-LJQANCHMSA-N 0 3 340.467 3.920 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccsc1 ZINC000178538496 1139702580 /nfs/dbraw/zinc/70/25/80/1139702580.db2.gz QPDKIHJBIJBTRR-HNNXBMFYSA-N 0 3 330.497 3.808 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)c(OC)cc1O ZINC000179929324 1139793662 /nfs/dbraw/zinc/79/36/62/1139793662.db2.gz ZZRQVBVKUNNMQJ-UHFFFAOYSA-N 0 3 331.412 3.527 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)c(OC)cc1O ZINC000179929324 1139793668 /nfs/dbraw/zinc/79/36/68/1139793668.db2.gz ZZRQVBVKUNNMQJ-UHFFFAOYSA-N 0 3 331.412 3.527 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000180896537 1139870888 /nfs/dbraw/zinc/87/08/88/1139870888.db2.gz NAFUYKAYJWVCBG-UHFFFAOYSA-N 0 3 337.341 3.605 20 10 EHCDHN C[C@@H](NCc1cccnc1OCC(F)(F)F)c1ccccc1O ZINC000183409148 1140035755 /nfs/dbraw/zinc/03/57/55/1140035755.db2.gz AEEMGIGWPFMEBS-LLVKDONJSA-N 0 3 326.318 3.579 20 10 EHCDHN CCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184691664 1140115085 /nfs/dbraw/zinc/11/50/85/1140115085.db2.gz UVFLPIVXVPPYJF-OAHLLOKOSA-N 0 3 327.852 3.835 20 10 EHCDHN CCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184691664 1140115088 /nfs/dbraw/zinc/11/50/88/1140115088.db2.gz UVFLPIVXVPPYJF-OAHLLOKOSA-N 0 3 327.852 3.835 20 10 EHCDHN COc1cc2c(cc1C[NH2+][C@H](C)c1cc(F)ccc1[O-])O[C@@H](C)C2 ZINC000184975725 1140128874 /nfs/dbraw/zinc/12/88/74/1140128874.db2.gz WQJBAZDRCTYRDI-NWDGAFQWSA-N 0 3 331.387 3.714 20 10 EHCDHN COc1ccc(CN[C@H](C)c2ccc(C)cc2O)c(OC)c1OC ZINC000185067280 1140134294 /nfs/dbraw/zinc/13/42/94/1140134294.db2.gz LYBNNTOSJQJNFY-CYBMUJFWSA-N 0 3 331.412 3.577 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000185160775 1140138422 /nfs/dbraw/zinc/13/84/22/1140138422.db2.gz HCOMBKKAHGSQRM-STQMWFEESA-N 0 3 344.386 3.900 20 10 EHCDHN COCCCN1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185314499 1140144464 /nfs/dbraw/zinc/14/44/64/1140144464.db2.gz KHAFGLUVTBNAHV-INIZCTEOSA-N 0 3 342.483 3.697 20 10 EHCDHN CC(C)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185881742 1140174961 /nfs/dbraw/zinc/17/49/61/1140174961.db2.gz PZDHRGVUGFRWSM-GFCCVEGCSA-N 0 3 341.293 3.678 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657861 1140542174 /nfs/dbraw/zinc/54/21/74/1140542174.db2.gz NPXQGWNRBWELKJ-QWRGUYRKSA-N 0 3 329.271 3.834 20 10 EHCDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000268879342 1141016061 /nfs/dbraw/zinc/01/60/61/1141016061.db2.gz ZNDDDTACCBUBPX-QGZVFWFLSA-N 0 3 343.427 3.910 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000154868126 1015878831 /nfs/dbraw/zinc/87/88/31/1015878831.db2.gz VJKRXMAZIABVKJ-IRXDYDNUSA-N 0 3 346.496 3.568 20 10 EHCDHN CC[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1[O-] ZINC000154964437 1016000917 /nfs/dbraw/zinc/00/09/17/1016000917.db2.gz FASVDBXFUQBSOR-PMACEKPBSA-N 0 3 340.467 3.506 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)c1[O-] ZINC000275141511 1016096463 /nfs/dbraw/zinc/09/64/63/1016096463.db2.gz RNDYZIVFIXOWFO-SLEUVZQESA-N 0 3 342.277 3.665 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H](C)CO)c1[O-] ZINC000275340656 1016471044 /nfs/dbraw/zinc/47/10/44/1016471044.db2.gz OSUUYXWBDDUOAJ-ZYHUDNBSSA-N 0 3 330.266 3.522 20 10 EHCDHN CCOC(=O)c1cc(CNCc2c(C)c3ccccc3n2C)[nH]c1C ZINC000449294652 1032434618 /nfs/dbraw/zinc/43/46/18/1032434618.db2.gz MDNYLQYRVGXUOP-UHFFFAOYSA-N 0 3 339.439 3.590 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000695161899 1017229967 /nfs/dbraw/zinc/22/99/67/1017229967.db2.gz QHADJBLJFACXPH-UHFFFAOYSA-N 0 3 334.460 3.519 20 10 EHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000377683764 1018184787 /nfs/dbraw/zinc/18/47/87/1018184787.db2.gz TULRPQXJLXEVAN-KRWDZBQOSA-N 0 3 334.423 3.557 20 10 EHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000377683764 1018184796 /nfs/dbraw/zinc/18/47/96/1018184796.db2.gz TULRPQXJLXEVAN-KRWDZBQOSA-N 0 3 334.423 3.557 20 10 EHCDHN CC(C)c1occc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249566 1019102462 /nfs/dbraw/zinc/10/24/62/1019102462.db2.gz UUCQDFKEJYRUOG-GOSISDBHSA-N 0 3 343.471 3.502 20 10 EHCDHN CC[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)c1ccc(C)cc1[O-] ZINC000280090219 1020051595 /nfs/dbraw/zinc/05/15/95/1020051595.db2.gz MKAIHSDNRKUAFN-IBGZPJMESA-N 0 3 342.439 3.779 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000280077432 1020066140 /nfs/dbraw/zinc/06/61/40/1020066140.db2.gz LMVFYCVVWQFENQ-ZFWWWQNUSA-N 0 3 330.394 3.626 20 10 EHCDHN COc1cc(C)cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1O ZINC000894847118 1021360435 /nfs/dbraw/zinc/36/04/35/1021360435.db2.gz BJEHCCFMFHDGJI-UHFFFAOYSA-N 0 3 330.384 3.642 20 10 EHCDHN COCc1ccc([C@H]2CCCN2Cc2cc(C)cc(OC)c2O)o1 ZINC000894475223 1022363936 /nfs/dbraw/zinc/36/39/36/1022363936.db2.gz MFDXYBVYNPMZEE-MRXNPFEDSA-N 0 3 331.412 3.786 20 10 EHCDHN [O-]c1c(Cl)cc(Cl)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197795 1033102918 /nfs/dbraw/zinc/10/29/18/1033102918.db2.gz HNORQXHMHIBUGJ-HNNXBMFYSA-N 0 3 329.271 3.663 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCSC3(CCC3)C2)c1[O-] ZINC000896952311 1026150079 /nfs/dbraw/zinc/15/00/79/1026150079.db2.gz WMJSWXRMIPDFBV-ZDUSSCGKSA-N 0 3 327.877 3.962 20 10 EHCDHN O=C1C[C@H](c2ccccc2)[N@H+](Cc2c([O-])ccc3ccccc32)CCN1 ZINC000122030952 1026159367 /nfs/dbraw/zinc/15/93/67/1026159367.db2.gz XMBZLGDZDNCQPM-HXUWFJFHSA-N 0 3 346.430 3.609 20 10 EHCDHN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1 ZINC000122030952 1026159373 /nfs/dbraw/zinc/15/93/73/1026159373.db2.gz XMBZLGDZDNCQPM-HXUWFJFHSA-N 0 3 346.430 3.609 20 10 EHCDHN OC[C@@]1(NCc2ccc(N3CCCCC3)cc2)CCc2ccccc21 ZINC000305165757 1026624665 /nfs/dbraw/zinc/62/46/65/1026624665.db2.gz ONCODFXOKRFXJM-QFIPXVFZSA-N 0 3 336.479 3.601 20 10 EHCDHN CCOc1ccc(C[NH2+]C(C)(C)Cc2ccccc2OC)c([O-])c1 ZINC000729686874 1027931500 /nfs/dbraw/zinc/93/15/00/1027931500.db2.gz RHYRGJYEHMOYES-UHFFFAOYSA-N 0 3 329.440 3.910 20 10 EHCDHN CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000160582280 1030871733 /nfs/dbraw/zinc/87/17/33/1030871733.db2.gz DGSFKMROMRCKCV-INIZCTEOSA-N 0 3 339.483 3.743 20 10 EHCDHN COc1cccc([C@H](C)NC2(c3ccc4c(c3)OCCO4)CC2)c1O ZINC000903295176 1031325156 /nfs/dbraw/zinc/32/51/56/1031325156.db2.gz OBSBJCWWPXQUJA-ZDUSSCGKSA-N 0 3 341.407 3.512 20 10 EHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898181343 1033383003 /nfs/dbraw/zinc/38/30/03/1033383003.db2.gz FPEKCTJRZKZXQC-UONOGXRCSA-N 0 3 329.444 3.809 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000174371935 1033910477 /nfs/dbraw/zinc/91/04/77/1033910477.db2.gz BYSLZLUGTCSGQJ-CYBMUJFWSA-N 0 3 348.393 3.910 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000310315125 1034317687 /nfs/dbraw/zinc/31/76/87/1034317687.db2.gz XIKAIZDOVMLGEK-ZNMIVQPWSA-N 0 3 334.460 3.736 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2CCC(OC(C)C)CC2)c1[O-] ZINC000529643892 1034339628 /nfs/dbraw/zinc/33/96/28/1034339628.db2.gz VYEVAZUREJOMAH-UHFFFAOYSA-N 0 3 327.852 3.880 20 10 EHCDHN COc1ccc(CN[C@H]2CCCOc3ccc(F)cc32)c(O)c1OC ZINC000892668628 1037478090 /nfs/dbraw/zinc/47/80/90/1037478090.db2.gz OZDHLOXAOMHUCJ-HNNXBMFYSA-N 0 3 347.386 3.552 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccccc1[O-] ZINC000155876424 1039172022 /nfs/dbraw/zinc/17/20/22/1039172022.db2.gz YYUDZQZOWAEFNN-ICSRJNTNSA-N 0 3 329.440 3.954 20 10 EHCDHN CCCN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000728927195 1039503767 /nfs/dbraw/zinc/50/37/67/1039503767.db2.gz MAZJKAONMUWZFJ-HKUYNNGSSA-N 0 3 344.499 3.785 20 10 EHCDHN CCCN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000728927196 1039504587 /nfs/dbraw/zinc/50/45/87/1039504587.db2.gz MAZJKAONMUWZFJ-IEBWSBKVSA-N 0 3 344.499 3.785 20 10 EHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000249711658 1040988519 /nfs/dbraw/zinc/98/85/19/1040988519.db2.gz YNRGNKCCOVSHFA-FIKGOQFSSA-N 0 3 327.468 3.981 20 10 EHCDHN CCCOc1ccc(C[NH+]2CCC(c3ccnn3CC)CC2)c([O-])c1 ZINC000279332872 1043960088 /nfs/dbraw/zinc/96/00/88/1043960088.db2.gz DGKTYYLRNJZFHP-UHFFFAOYSA-N 0 3 343.471 3.777 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000185533900 1126928522 /nfs/dbraw/zinc/92/85/22/1126928522.db2.gz XKMJYXICRCFRQJ-CJNGLKHVSA-N 0 3 334.460 3.655 20 10 EHCDHN C[C@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC000368365603 1127414874 /nfs/dbraw/zinc/41/48/74/1127414874.db2.gz SOCGDHNUYGPFNW-YOEHRIQHSA-N 0 3 346.471 3.832 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(F)F)CC2)c1[O-] ZINC000765146009 1127580216 /nfs/dbraw/zinc/58/02/16/1127580216.db2.gz FRLGNIJUOCRJFP-UHFFFAOYSA-N 0 3 349.377 3.809 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1C(F)(F)F ZINC000171936517 1127632856 /nfs/dbraw/zinc/63/28/56/1127632856.db2.gz VJZUZBWAURQOFL-MRXNPFEDSA-N 0 3 325.330 3.576 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1C(F)(F)F ZINC000171936517 1127632858 /nfs/dbraw/zinc/63/28/58/1127632858.db2.gz VJZUZBWAURQOFL-MRXNPFEDSA-N 0 3 325.330 3.576 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083630472 1127714055 /nfs/dbraw/zinc/71/40/55/1127714055.db2.gz FFJHNZIYAULPRH-SFHVURJKSA-N 0 3 341.451 3.705 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000186200904 1128183362 /nfs/dbraw/zinc/18/33/62/1128183362.db2.gz IQJBYQBJNLMSSH-CZUORRHYSA-N 0 3 334.460 3.655 20 10 EHCDHN Clc1n[nH]c(C2CC2)c1CNCCCSc1nccs1 ZINC000921753799 1128728306 /nfs/dbraw/zinc/72/83/06/1128728306.db2.gz GOLNVNSCNRRAON-UHFFFAOYSA-N 0 3 328.894 3.669 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)c2c1 ZINC000129159605 1120142228 /nfs/dbraw/zinc/14/22/28/1120142228.db2.gz AGZCBVWEZFWRJR-QRWLVFNGSA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)c2c1 ZINC000129159605 1120142231 /nfs/dbraw/zinc/14/22/31/1120142231.db2.gz AGZCBVWEZFWRJR-QRWLVFNGSA-N 0 3 327.424 3.555 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1(CO)CCCCC1 ZINC000762785266 1121441284 /nfs/dbraw/zinc/44/12/84/1121441284.db2.gz FTLHDBNDMDKBBQ-UHFFFAOYSA-N 0 3 341.451 3.756 20 10 EHCDHN Fc1cc(Br)cc(CNCc2ccc3c(c2)CCO3)c1 ZINC000917520539 1122620153 /nfs/dbraw/zinc/62/01/53/1122620153.db2.gz LPEYZCMWCNBDCZ-UHFFFAOYSA-N 0 3 336.204 3.813 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)C(C)(C)C)c1[O-] ZINC000734509536 1131243787 /nfs/dbraw/zinc/24/37/87/1131243787.db2.gz KCMFOMGFNQMTNU-SNVBAGLBSA-N 0 3 330.266 3.935 20 10 EHCDHN Cc1ccc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000736309443 1131415794 /nfs/dbraw/zinc/41/57/94/1131415794.db2.gz AAHAUKAXYAWZJY-HXUWFJFHSA-N 0 3 325.452 3.924 20 10 EHCDHN Cc1ccc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000736309443 1131415795 /nfs/dbraw/zinc/41/57/95/1131415795.db2.gz AAHAUKAXYAWZJY-HXUWFJFHSA-N 0 3 325.452 3.924 20 10 EHCDHN Cc1cc(O)c(CN2CCCN(C(=O)C(C)C)CC2)cc1C(C)C ZINC000738088840 1131460046 /nfs/dbraw/zinc/46/00/46/1131460046.db2.gz HDXMBQSPPXNLKB-UHFFFAOYSA-N 0 3 332.488 3.514 20 10 EHCDHN CCc1cc(CN2CCCC[C@@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000740758882 1131540286 /nfs/dbraw/zinc/54/02/86/1131540286.db2.gz MBYNEGTZVKRDPD-GOSISDBHSA-N 0 3 347.499 3.980 20 10 EHCDHN Cc1ccoc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742385042 1131713799 /nfs/dbraw/zinc/71/37/99/1131713799.db2.gz QRHVKPXYASZFRP-CQSZACIVSA-N 0 3 336.382 3.948 20 10 EHCDHN COc1cccc2c1C[C@H]([NH2+]Cc1cc3ccccc3cc1[O-])CO2 ZINC001173165058 1131978554 /nfs/dbraw/zinc/97/85/54/1131978554.db2.gz RKPSQFVTKBLZST-KRWDZBQOSA-N 0 3 335.403 3.647 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000743870507 1131996234 /nfs/dbraw/zinc/99/62/34/1131996234.db2.gz VBOGVCPSCPVLRC-CQSZACIVSA-N 0 3 330.403 3.771 20 10 EHCDHN C[C@@H]1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCCN1C(=O)OC(C)(C)C ZINC000381386554 1132477927 /nfs/dbraw/zinc/47/79/27/1132477927.db2.gz QSDWLVDYHVSGFY-BMFZPTHFSA-N 0 3 346.471 3.757 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCC(=O)N(C)C2CCCCC2)cc1 ZINC000766436569 1132544722 /nfs/dbraw/zinc/54/47/22/1132544722.db2.gz IIRHXIBKEJLAPD-MRXNPFEDSA-N 0 3 331.504 3.584 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000768193232 1133111543 /nfs/dbraw/zinc/11/15/43/1133111543.db2.gz XFORVSNDTDSGLD-INIZCTEOSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000768193232 1133111546 /nfs/dbraw/zinc/11/15/46/1133111546.db2.gz XFORVSNDTDSGLD-INIZCTEOSA-N 0 3 341.407 3.509 20 10 EHCDHN CCOc1ccc(CN(Cc2ccccc2OC)C2CC2)c(O)c1 ZINC000768258139 1133118370 /nfs/dbraw/zinc/11/83/70/1133118370.db2.gz QCQSYCMKQFJQKX-UHFFFAOYSA-N 0 3 327.424 3.964 20 10 EHCDHN C[N@H+](Cc1csc2ccccc12)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439123 1133138210 /nfs/dbraw/zinc/13/82/10/1133138210.db2.gz HVZNTVFHWCUKHU-KRWDZBQOSA-N 0 3 341.432 3.665 20 10 EHCDHN C[N@@H+](Cc1csc2ccccc12)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439123 1133138213 /nfs/dbraw/zinc/13/82/13/1133138213.db2.gz HVZNTVFHWCUKHU-KRWDZBQOSA-N 0 3 341.432 3.665 20 10 EHCDHN C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439267 1133139504 /nfs/dbraw/zinc/13/95/04/1133139504.db2.gz JHYGFARUWCCFDA-VBKZILBWSA-N 0 3 339.435 3.619 20 10 EHCDHN C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439267 1133139507 /nfs/dbraw/zinc/13/95/07/1133139507.db2.gz JHYGFARUWCCFDA-VBKZILBWSA-N 0 3 339.435 3.619 20 10 EHCDHN Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768445697 1133140539 /nfs/dbraw/zinc/14/05/39/1133140539.db2.gz IGIOJVYEDDIQSQ-ICSRJNTNSA-N 0 3 339.435 3.854 20 10 EHCDHN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768445697 1133140542 /nfs/dbraw/zinc/14/05/42/1133140542.db2.gz IGIOJVYEDDIQSQ-ICSRJNTNSA-N 0 3 339.435 3.854 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000769327348 1133262354 /nfs/dbraw/zinc/26/23/54/1133262354.db2.gz AULVGZPYODNFFJ-ZDUSSCGKSA-N 0 3 326.234 3.538 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000769327348 1133262357 /nfs/dbraw/zinc/26/23/57/1133262357.db2.gz AULVGZPYODNFFJ-ZDUSSCGKSA-N 0 3 326.234 3.538 20 10 EHCDHN CCOCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000769767948 1133339417 /nfs/dbraw/zinc/33/94/17/1133339417.db2.gz DDCOQHVAPKQWSE-YLJYHZDGSA-N 0 3 343.467 3.743 20 10 EHCDHN CCOCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000769767948 1133339421 /nfs/dbraw/zinc/33/94/21/1133339421.db2.gz DDCOQHVAPKQWSE-YLJYHZDGSA-N 0 3 343.467 3.743 20 10 EHCDHN CCN(C)c1ccc(CN2CC[C@H](OCc3c(C)noc3C)C2)cc1 ZINC000773843496 1133346214 /nfs/dbraw/zinc/34/62/14/1133346214.db2.gz BPJACHYXEQBBEW-IBGZPJMESA-N 0 3 343.471 3.539 20 10 EHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CN(C)C1CCCC1 ZINC001180633963 1133400735 /nfs/dbraw/zinc/40/07/35/1133400735.db2.gz XDKFZYOUFIUZRG-FQEVSTJZSA-N 0 3 344.499 3.623 20 10 EHCDHN CCc1ccc2c(c1)[C@@H](NCc1cc(C)cc(OC)c1O)CCO2 ZINC001180646272 1133401925 /nfs/dbraw/zinc/40/19/25/1133401925.db2.gz IUGOTZMHCACRSO-KRWDZBQOSA-N 0 3 327.424 3.885 20 10 EHCDHN CCN(C)c1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000773887227 1133434857 /nfs/dbraw/zinc/43/48/57/1133434857.db2.gz FFIUHKWBKBDGFZ-UHFFFAOYSA-N 0 3 343.446 3.720 20 10 EHCDHN C[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000770510909 1133437249 /nfs/dbraw/zinc/43/72/49/1133437249.db2.gz VBLHOEWXTNKORN-HOCLYGCPSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000770510909 1133437254 /nfs/dbraw/zinc/43/72/54/1133437254.db2.gz VBLHOEWXTNKORN-HOCLYGCPSA-N 0 3 334.460 3.517 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000774487208 1133688921 /nfs/dbraw/zinc/68/89/21/1133688921.db2.gz YBOPUVNLJWRLQV-QWHCGFSZSA-N 0 3 347.409 3.709 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1[O-] ZINC001182634810 1133708585 /nfs/dbraw/zinc/70/85/85/1133708585.db2.gz PVBLWNAYTYOOBB-HDJSIYSDSA-N 0 3 342.277 3.899 20 10 EHCDHN O=[N+]([O-])c1cc(C[NH2+]Cc2cc(F)ccc2[O-])cc(C(F)(F)F)c1 ZINC000787296022 1133984864 /nfs/dbraw/zinc/98/48/64/1133984864.db2.gz OAQBAZJXQONXGY-UHFFFAOYSA-N 0 3 344.264 3.748 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000788669568 1134159919 /nfs/dbraw/zinc/15/99/19/1134159919.db2.gz DSJSPEUGSIGJNE-DZGCQCFKSA-N 0 3 336.476 3.820 20 10 EHCDHN CCc1cccnc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000780717729 1134293667 /nfs/dbraw/zinc/29/36/67/1134293667.db2.gz ACXQVUKUOBMZKS-DLBZAZTESA-N 0 3 339.483 3.892 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000775131171 1134362037 /nfs/dbraw/zinc/36/20/37/1134362037.db2.gz SSBGIHZWYQDHJC-MEDUHNTESA-N 0 3 325.330 3.795 20 10 EHCDHN O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(O)c1[O-] ZINC000790576222 1134442456 /nfs/dbraw/zinc/44/24/56/1134442456.db2.gz KFIXZUFUQSQDBJ-UHFFFAOYSA-N 0 3 340.423 3.726 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790736005 1134459695 /nfs/dbraw/zinc/45/96/95/1134459695.db2.gz HKBMGCRQXWEZOZ-KDOFPFPSSA-N 0 3 335.394 3.562 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(Oc3ccncc3C)CC2)c([O-])c1 ZINC000775206730 1134521339 /nfs/dbraw/zinc/52/13/39/1134521339.db2.gz YBPQXXTWOHUGIP-UHFFFAOYSA-N 0 3 342.439 3.538 20 10 EHCDHN CC[NH+](CC)CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792162970 1134661659 /nfs/dbraw/zinc/66/16/59/1134661659.db2.gz TUWSBRJKWFFZQN-UHFFFAOYSA-N 0 3 328.859 3.739 20 10 EHCDHN CCN(CC)[C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000793240952 1134886057 /nfs/dbraw/zinc/88/60/57/1134886057.db2.gz VQYBVOYBNZNJGJ-QGZVFWFLSA-N 0 3 342.483 3.791 20 10 EHCDHN CCOC(=O)CCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001192014173 1134956045 /nfs/dbraw/zinc/95/60/45/1134956045.db2.gz QKUDGLQWIKOMQH-UHFFFAOYSA-N 0 3 331.412 3.721 20 10 EHCDHN CCOC(=O)CCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001192014173 1134956049 /nfs/dbraw/zinc/95/60/49/1134956049.db2.gz QKUDGLQWIKOMQH-UHFFFAOYSA-N 0 3 331.412 3.721 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)c2c1c(F)ccc2[O-] ZINC000793565231 1134957996 /nfs/dbraw/zinc/95/79/96/1134957996.db2.gz HCWDTHPLRYISND-CABZTGNLSA-N 0 3 338.329 3.866 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000775725977 1135577594 /nfs/dbraw/zinc/57/75/94/1135577594.db2.gz VQQQFVREURKYKM-GFCCVEGCSA-N 0 3 325.836 3.518 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000775725977 1135577597 /nfs/dbraw/zinc/57/75/97/1135577597.db2.gz VQQQFVREURKYKM-GFCCVEGCSA-N 0 3 325.836 3.518 20 10 EHCDHN CC[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001197004186 1135639560 /nfs/dbraw/zinc/63/95/60/1135639560.db2.gz PFWVIXIZTQQZBL-CXAGYDPISA-N 0 3 346.858 3.964 20 10 EHCDHN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808682696 1135710744 /nfs/dbraw/zinc/71/07/44/1135710744.db2.gz XWHIATGUMXOVFP-ZDUSSCGKSA-N 0 3 346.858 3.955 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000808682053 1135710895 /nfs/dbraw/zinc/71/08/95/1135710895.db2.gz MQPMCVHEAULJFM-ZIAGYGMSSA-N 0 3 346.858 3.710 20 10 EHCDHN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808679203 1135715660 /nfs/dbraw/zinc/71/56/60/1135715660.db2.gz HGBGLBSQEHHPBY-CQSZACIVSA-N 0 3 346.858 3.743 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000808708596 1135717506 /nfs/dbraw/zinc/71/75/06/1135717506.db2.gz NSHLSYRNBLFRNC-YJYMSZOUSA-N 0 3 331.843 3.839 20 10 EHCDHN CC(C)CCC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775832706 1135792536 /nfs/dbraw/zinc/79/25/36/1135792536.db2.gz ANOUBHJYGDBOPY-IAGOWNOFSA-N 0 3 333.520 3.734 20 10 EHCDHN CC(C)CCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832708 1135792598 /nfs/dbraw/zinc/79/25/98/1135792598.db2.gz ANOUBHJYGDBOPY-SJORKVTESA-N 0 3 333.520 3.734 20 10 EHCDHN CSc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837343 1135795961 /nfs/dbraw/zinc/79/59/61/1135795961.db2.gz RLRKWBWMUGZIII-AWEZNQCLSA-N 0 3 343.496 3.764 20 10 EHCDHN CN(C)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809728001 1135872680 /nfs/dbraw/zinc/87/26/80/1135872680.db2.gz GZTPONKHAYNUBR-UHFFFAOYSA-N 0 3 336.838 3.749 20 10 EHCDHN CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809728001 1135872682 /nfs/dbraw/zinc/87/26/82/1135872682.db2.gz GZTPONKHAYNUBR-UHFFFAOYSA-N 0 3 336.838 3.749 20 10 EHCDHN COC(=O)Nc1ccc(CNCc2c(C)c3ccccc3n2C)cc1 ZINC001199310058 1135895171 /nfs/dbraw/zinc/89/51/71/1135895171.db2.gz PQXHRQUREQKELW-UHFFFAOYSA-N 0 3 337.423 3.955 20 10 EHCDHN COc1cc(O)c(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000776012891 1135917941 /nfs/dbraw/zinc/91/79/41/1135917941.db2.gz KLYHYEGZIJUGGP-CMPLNLGQSA-N 0 3 333.350 3.572 20 10 EHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001199841802 1135931955 /nfs/dbraw/zinc/93/19/55/1135931955.db2.gz CYLAVJWYSDMDFU-HNNXBMFYSA-N 0 3 344.430 3.522 20 10 EHCDHN COc1cc(CN[C@H](CO)c2ccccc2C)c(O)c(C(C)(C)C)c1 ZINC000850170464 1136216662 /nfs/dbraw/zinc/21/66/62/1136216662.db2.gz KQEIONGRKZJTDW-LJQANCHMSA-N 0 3 343.467 3.830 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)c2c1c(F)ccc2[O-] ZINC000812735484 1136239449 /nfs/dbraw/zinc/23/94/49/1136239449.db2.gz SKUZKFATSZUTPU-XHDPSFHLSA-N 0 3 325.387 3.756 20 10 EHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000850505621 1136273526 /nfs/dbraw/zinc/27/35/26/1136273526.db2.gz UHSPCZHCSHWUKM-HIFRSBDPSA-N 0 3 329.362 3.859 20 10 EHCDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850502850 1136273570 /nfs/dbraw/zinc/27/35/70/1136273570.db2.gz RWVBRUKTDPPMND-YOKBYHGQSA-N 0 3 341.879 3.571 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c([O-])c1 ZINC000850567524 1136287405 /nfs/dbraw/zinc/28/74/05/1136287405.db2.gz DZFDTGQCSKEMPZ-MRXNPFEDSA-N 0 3 340.467 3.513 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@](C)(C4CC4)C3)c2c1 ZINC000853528399 1136541391 /nfs/dbraw/zinc/54/13/91/1136541391.db2.gz OVMOVADUQUSMLZ-HXUWFJFHSA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@](C)(C4CC4)C3)c2c1 ZINC000853528399 1136541394 /nfs/dbraw/zinc/54/13/94/1136541394.db2.gz OVMOVADUQUSMLZ-HXUWFJFHSA-N 0 3 327.424 3.555 20 10 EHCDHN Cc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)ccc1N(C)C ZINC000815118872 1136551971 /nfs/dbraw/zinc/55/19/71/1136551971.db2.gz UAMBHVILJJURNY-RDJZCZTQSA-N 0 3 347.503 3.549 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c([O-])c1 ZINC000815148872 1136562887 /nfs/dbraw/zinc/56/28/87/1136562887.db2.gz OENYSAXYBKAYRN-UHFFFAOYSA-N 0 3 340.345 3.537 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCNc1cnccn1 ZINC000815589025 1136615986 /nfs/dbraw/zinc/61/59/86/1136615986.db2.gz GJWNTBNFIFQVMT-IBGZPJMESA-N 0 3 348.450 3.558 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000815618825 1136620071 /nfs/dbraw/zinc/62/00/71/1136620071.db2.gz VOIJSULAIVJJLW-ICSRJNTNSA-N 0 3 347.462 3.867 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000816642275 1136743850 /nfs/dbraw/zinc/74/38/50/1136743850.db2.gz VEHJUCNQZWHSIF-GFCCVEGCSA-N 0 3 329.350 3.707 20 10 EHCDHN CC[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000817940405 1136848785 /nfs/dbraw/zinc/84/87/85/1136848785.db2.gz MOQKNKCSVFJSGS-QGZVFWFLSA-N 0 3 333.863 3.661 20 10 EHCDHN COc1ccc(N2CCC(N[C@H]3C[C@]3(F)c3ccccc3)CC2)cc1 ZINC000818229904 1136868382 /nfs/dbraw/zinc/86/83/82/1136868382.db2.gz HHUMBAQUIVROOU-SFTDATJTSA-N 0 3 340.442 3.891 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000858449189 1136968795 /nfs/dbraw/zinc/96/87/95/1136968795.db2.gz JOZCCHFHSIKRCY-XWIASGKRSA-N 0 3 343.324 3.669 20 10 EHCDHN C[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(N2CCCCC2)cc1 ZINC000858528236 1136976400 /nfs/dbraw/zinc/97/64/00/1136976400.db2.gz PEQFPQWVBAYMHT-HRAATJIYSA-N 0 3 349.478 3.891 20 10 EHCDHN COc1ccc([C@@H](NCc2ccc(N(C)C)c(C)c2)C2CC2)cn1 ZINC000860209918 1137049641 /nfs/dbraw/zinc/04/96/41/1137049641.db2.gz RDGFOWMDAIBXER-FQEVSTJZSA-N 0 3 325.456 3.706 20 10 EHCDHN CC(C)N(Cc1ccnn1-c1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000824566868 1137143155 /nfs/dbraw/zinc/14/31/55/1137143155.db2.gz ORIZBYDXZAYUDE-UHFFFAOYSA-N 0 3 349.482 3.744 20 10 EHCDHN Cn1ncc(C2CC2)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000824776027 1137151656 /nfs/dbraw/zinc/15/16/56/1137151656.db2.gz FALMTJCIVIUWQT-UHFFFAOYSA-N 0 3 325.456 3.948 20 10 EHCDHN Cn1ncc(C2CC2)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000824776027 1137151658 /nfs/dbraw/zinc/15/16/58/1137151658.db2.gz FALMTJCIVIUWQT-UHFFFAOYSA-N 0 3 325.456 3.948 20 10 EHCDHN C[C@](CO)(NCc1cc(F)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC000825130245 1137166872 /nfs/dbraw/zinc/16/68/72/1137166872.db2.gz QMSBEWJLHYHQFA-MRXNPFEDSA-N 0 3 344.213 3.835 20 10 EHCDHN CCOC(=O)N[C@H](C[NH2+][C@@H](CC)c1ccc(C)cc1[O-])CC(C)C ZINC000794794758 1137250876 /nfs/dbraw/zinc/25/08/76/1137250876.db2.gz QVISUFVHZSFRPQ-RDJZCZTQSA-N 0 3 336.476 3.902 20 10 EHCDHN c1c2c(nn1-c1ccccc1)CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000794803530 1137255101 /nfs/dbraw/zinc/25/51/01/1137255101.db2.gz JQOBYDLZZSQJHW-FQEVSTJZSA-N 0 3 345.446 3.974 20 10 EHCDHN CC[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794813076 1137262194 /nfs/dbraw/zinc/26/21/94/1137262194.db2.gz BJACHALFHXKMFT-MRXNPFEDSA-N 0 3 334.460 3.608 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(C)cc1[O-] ZINC000794812727 1137262438 /nfs/dbraw/zinc/26/24/38/1137262438.db2.gz YXLVTYUBQHZFTL-IAGOWNOFSA-N 0 3 342.414 3.686 20 10 EHCDHN CC[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794818570 1137265542 /nfs/dbraw/zinc/26/55/42/1137265542.db2.gz UBBAFJAEIDMOLG-DOTOQJQBSA-N 0 3 327.424 3.971 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000794818746 1137266308 /nfs/dbraw/zinc/26/63/08/1137266308.db2.gz YNCQCEXNVIZDGL-INMHGKMJSA-N 0 3 334.460 3.608 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](SC)C2)c1[O-] ZINC000866487878 1137358471 /nfs/dbraw/zinc/35/84/71/1137358471.db2.gz HIJVKJRMCKAAJS-LSJOCFKGSA-N 0 3 346.290 3.708 20 10 EHCDHN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000773104874 1137465679 /nfs/dbraw/zinc/46/56/79/1137465679.db2.gz GPXOCEZABCQDLC-DZGCQCFKSA-N 0 3 330.394 3.641 20 10 EHCDHN CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1[O-])C2 ZINC001172104633 1137536407 /nfs/dbraw/zinc/53/64/07/1137536407.db2.gz DPFJAQOSPPXBKM-QDMKHBRRSA-N 0 3 345.874 3.699 20 10 EHCDHN COc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1Cn1cccn1 ZINC000873098641 1137590176 /nfs/dbraw/zinc/59/01/76/1137590176.db2.gz TZOSTTNJIRAGIY-OAQYLSRUSA-N 0 3 348.450 3.576 20 10 EHCDHN CC1(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000873198129 1137593849 /nfs/dbraw/zinc/59/38/49/1137593849.db2.gz RSDWCUMXQXACKW-UHFFFAOYSA-N 0 3 339.386 3.863 20 10 EHCDHN Cc1ccc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000876946639 1137666040 /nfs/dbraw/zinc/66/60/40/1137666040.db2.gz UJWQRSVZVRBDMH-UHFFFAOYSA-N 0 3 328.431 3.594 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000877000012 1137667459 /nfs/dbraw/zinc/66/74/59/1137667459.db2.gz JPXNWURTPGWNBM-GOSISDBHSA-N 0 3 345.446 3.805 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([O-])c1 ZINC000877123811 1137670697 /nfs/dbraw/zinc/67/06/97/1137670697.db2.gz OTXSDPZNMLJENJ-MJGOQNOKSA-N 0 3 332.394 3.514 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c([O-])c1 ZINC000877612440 1137682994 /nfs/dbraw/zinc/68/29/94/1137682994.db2.gz IYWLJSQQJAIEFB-PBHICJAKSA-N 0 3 341.455 3.662 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000877617016 1137683096 /nfs/dbraw/zinc/68/30/96/1137683096.db2.gz QQOQUGNOOGGTAS-GOEBONIOSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000877617016 1137683097 /nfs/dbraw/zinc/68/30/97/1137683097.db2.gz QQOQUGNOOGGTAS-GOEBONIOSA-N 0 3 334.460 3.578 20 10 EHCDHN COCCc1ccc(OC[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877755929 1137688065 /nfs/dbraw/zinc/68/80/65/1137688065.db2.gz TUYCUVAJRUCEQH-JKSUJKDBSA-N 0 3 329.440 3.699 20 10 EHCDHN C[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000877757043 1137688366 /nfs/dbraw/zinc/68/83/66/1137688366.db2.gz CHBGSXNUIHPXAB-INIZCTEOSA-N 0 3 342.458 3.889 20 10 EHCDHN C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877757395 1137688395 /nfs/dbraw/zinc/68/83/95/1137688395.db2.gz XCRWROOGCXCAIF-LIRRHRJNSA-N 0 3 334.460 3.690 20 10 EHCDHN Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000879651332 1137753730 /nfs/dbraw/zinc/75/37/30/1137753730.db2.gz RKNSWMKQZGFHKK-ZDUSSCGKSA-N 0 3 332.831 3.952 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1[O-] ZINC000879651144 1137753732 /nfs/dbraw/zinc/75/37/32/1137753732.db2.gz JXWNLORZLFLMMH-ZDUSSCGKSA-N 0 3 335.403 3.838 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCSc2ccccc21 ZINC000879651252 1137753785 /nfs/dbraw/zinc/75/37/85/1137753785.db2.gz OPHGEDPXNVIZON-UONOGXRCSA-N 0 3 342.464 3.570 20 10 EHCDHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652015 1137753975 /nfs/dbraw/zinc/75/39/75/1137753975.db2.gz TZOMMCRRPKMCRB-DLBZAZTESA-N 0 3 340.467 3.869 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883394803 1137859429 /nfs/dbraw/zinc/85/94/29/1137859429.db2.gz HDWWKOPMBITPPH-QGZVFWFLSA-N 0 3 325.408 3.555 20 10 EHCDHN COc1ccc(CNCCCSc2nccs2)c(F)c1OC ZINC000885993083 1138030837 /nfs/dbraw/zinc/03/08/37/1138030837.db2.gz YMCXVFLWWQGWEL-UHFFFAOYSA-N 0 3 342.461 3.571 20 10 EHCDHN CSCc1n[nH]c(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000886751126 1138131240 /nfs/dbraw/zinc/13/12/40/1138131240.db2.gz IIMJYAVYGNOJGI-AWEZNQCLSA-N 0 3 345.516 3.509 20 10 EHCDHN CSCc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)[n-]1 ZINC000886751126 1138131241 /nfs/dbraw/zinc/13/12/41/1138131241.db2.gz IIMJYAVYGNOJGI-AWEZNQCLSA-N 0 3 345.516 3.509 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1[O-] ZINC000886766886 1138135921 /nfs/dbraw/zinc/13/59/21/1138135921.db2.gz UEERWTVTDIMWEM-BWQRHGBYSA-N 0 3 339.863 3.731 20 10 EHCDHN COc1cccc(CN(C)Cc2ccc(SC)c(OC)c2)c1O ZINC000092674423 1138230091 /nfs/dbraw/zinc/23/00/91/1138230091.db2.gz MQZXOISIHHENKU-UHFFFAOYSA-N 0 3 333.453 3.763 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])CC12CCC2 ZINC000302100021 1138712256 /nfs/dbraw/zinc/71/22/56/1138712256.db2.gz WFZWHHUUBQQVFP-MRXNPFEDSA-N 0 3 346.471 3.804 20 10 EHCDHN CN1CC[C@@H](C[NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136207497 1138790665 /nfs/dbraw/zinc/79/06/65/1138790665.db2.gz ZLPQVRYTKGPXFK-KXBFYZLASA-N 0 3 348.849 3.967 20 10 EHCDHN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000152245212 1139080106 /nfs/dbraw/zinc/08/01/06/1139080106.db2.gz BSGWBGNZJCWZOF-KBXCAEBGSA-N 0 3 344.430 3.984 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000183451719 1140039014 /nfs/dbraw/zinc/03/90/14/1140039014.db2.gz OCMWPCFSVVQSJW-KGLIPLIRSA-N 0 3 326.396 3.761 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1cc(F)ccc1[O-] ZINC000184988283 1140129846 /nfs/dbraw/zinc/12/98/46/1140129846.db2.gz SXEQMIPHFIESRU-CQSZACIVSA-N 0 3 342.414 3.505 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC(C)C)c2)c([O-])c1 ZINC000185479098 1140152145 /nfs/dbraw/zinc/15/21/45/1140152145.db2.gz KJSCUZIUIOKKNT-MGPUTAFESA-N 0 3 329.440 3.872 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2nccs2)c1[O-] ZINC000187123040 1140240168 /nfs/dbraw/zinc/24/01/68/1140240168.db2.gz QOTDYPZNXZZPTR-JTQLQIEISA-N 0 3 341.274 3.813 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CCOCC2)c1[O-] ZINC000187125175 1140240127 /nfs/dbraw/zinc/24/01/27/1140240127.db2.gz UHCYZPQHHBOBJR-NSHDSACASA-N 0 3 328.250 3.540 20 10 EHCDHN COc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1C ZINC000266211443 1140656361 /nfs/dbraw/zinc/65/63/61/1140656361.db2.gz ONDINGLQEVIPDD-UHFFFAOYSA-N 0 3 329.415 3.938 20 10 EHCDHN CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000040416058 213301106 /nfs/dbraw/zinc/30/11/06/213301106.db2.gz OVIXKJLSFWUGRG-UHFFFAOYSA-N 0 3 338.451 3.800 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000275392915 1016676939 /nfs/dbraw/zinc/67/69/39/1016676939.db2.gz YVDQZBRKCIONGU-FRRDWIJNSA-N 0 3 342.277 3.929 20 10 EHCDHN CCc1cccc2c1OCC[C@H]2NCc1ccc(OC)c(OC)c1O ZINC000892944856 1017843780 /nfs/dbraw/zinc/84/37/80/1017843780.db2.gz PEHSBQGRBVRSEW-MRXNPFEDSA-N 0 3 343.423 3.585 20 10 EHCDHN CC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccc(F)cc1F ZINC000893002287 1018115414 /nfs/dbraw/zinc/11/54/14/1018115414.db2.gz TXRYRXJOXOCUCU-HNNXBMFYSA-N 0 3 337.366 3.929 20 10 EHCDHN CCN(CC)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756342169 1018583460 /nfs/dbraw/zinc/58/34/60/1018583460.db2.gz OIVABLPUEGGFBZ-LLVKDONJSA-N 0 3 347.272 3.676 20 10 EHCDHN COc1ccc(CNCc2ccc(Cn3ccccc3=O)cc2)cc1C ZINC000067249151 1018948805 /nfs/dbraw/zinc/94/88/05/1018948805.db2.gz PVBOCLPBQAQFNH-UHFFFAOYSA-N 0 3 348.446 3.503 20 10 EHCDHN CCNC(=O)c1ccc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])cc1 ZINC000280003269 1019984812 /nfs/dbraw/zinc/98/48/12/1019984812.db2.gz GCCPSTKFQGUGOE-GOSISDBHSA-N 0 3 326.440 3.691 20 10 EHCDHN COc1cc(C)cc(CNCc2cc(C)ccc2OC(F)F)c1O ZINC000894330911 1021683001 /nfs/dbraw/zinc/68/30/01/1021683001.db2.gz YGVFRZPOHKVIBM-UHFFFAOYSA-N 0 3 337.366 3.909 20 10 EHCDHN COc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)c(O)c1OC ZINC000891549277 1021894111 /nfs/dbraw/zinc/89/41/11/1021894111.db2.gz HBVMYCLPMQXJJS-MRXNPFEDSA-N 0 3 331.387 3.886 20 10 EHCDHN CCCOc1ccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c(O)c1 ZINC000277060388 1023728395 /nfs/dbraw/zinc/72/83/95/1023728395.db2.gz BRYZESOXSVVCNS-QWHCGFSZSA-N 0 3 332.448 3.663 20 10 EHCDHN Cc1cc(O)c(CNCc2ccncc2OCC(F)(F)F)cc1C ZINC000282164894 1024509094 /nfs/dbraw/zinc/50/90/94/1024509094.db2.gz ITOFZPDZZILMHA-UHFFFAOYSA-N 0 3 340.345 3.635 20 10 EHCDHN COc1ccc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)cc1C ZINC000277356170 1024751014 /nfs/dbraw/zinc/75/10/14/1024751014.db2.gz AHVBSAINXYWZTI-SFHVURJKSA-N 0 3 337.423 3.769 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000896441833 1025450793 /nfs/dbraw/zinc/45/07/93/1025450793.db2.gz NMRNTWFRZMSWGN-UHFFFAOYSA-N 0 3 339.435 3.644 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000896441833 1025450800 /nfs/dbraw/zinc/45/08/00/1025450800.db2.gz NMRNTWFRZMSWGN-UHFFFAOYSA-N 0 3 339.435 3.644 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1cncc(Br)c1 ZINC000475193955 1026355447 /nfs/dbraw/zinc/35/54/47/1026355447.db2.gz DJTKQIMSMVRRTD-UHFFFAOYSA-N 0 3 344.256 3.934 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000359874311 1027862068 /nfs/dbraw/zinc/86/20/68/1027862068.db2.gz RFPFCDWPSHWPCC-UVFQYZLESA-N 0 3 328.431 3.875 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000067690646 1029182688 /nfs/dbraw/zinc/18/26/88/1029182688.db2.gz MCOFSGZODCXLLM-AWEZNQCLSA-N 0 3 345.439 3.880 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000125279741 1029472526 /nfs/dbraw/zinc/47/25/26/1029472526.db2.gz RUUFREFOPLVIRU-MRXNPFEDSA-N 0 3 327.424 3.718 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000125279741 1029472543 /nfs/dbraw/zinc/47/25/43/1029472543.db2.gz RUUFREFOPLVIRU-MRXNPFEDSA-N 0 3 327.424 3.718 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)c2c1c(F)ccc2[O-] ZINC000527960760 1031524804 /nfs/dbraw/zinc/52/48/04/1031524804.db2.gz DXFNNGBJHOLTIY-BDJLRTHQSA-N 0 3 325.387 3.756 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179563131 1031787420 /nfs/dbraw/zinc/78/74/20/1031787420.db2.gz SDSYGQSAWQDKAG-SJPCQFCGSA-N 0 3 346.471 3.755 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179563131 1031787426 /nfs/dbraw/zinc/78/74/26/1031787426.db2.gz SDSYGQSAWQDKAG-SJPCQFCGSA-N 0 3 346.471 3.755 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1C ZINC000174375044 1033911727 /nfs/dbraw/zinc/91/17/27/1033911727.db2.gz GNCUZMOZORGZHK-INIZCTEOSA-N 0 3 326.440 3.940 20 10 EHCDHN COCCN(Cc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC000761182410 1034273330 /nfs/dbraw/zinc/27/33/30/1034273330.db2.gz DKEPWMIZXYKKRG-UHFFFAOYSA-N 0 3 335.831 3.703 20 10 EHCDHN COCC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761182410 1034273335 /nfs/dbraw/zinc/27/33/35/1034273335.db2.gz DKEPWMIZXYKKRG-UHFFFAOYSA-N 0 3 335.831 3.703 20 10 EHCDHN COCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761182410 1034273343 /nfs/dbraw/zinc/27/33/43/1034273343.db2.gz DKEPWMIZXYKKRG-UHFFFAOYSA-N 0 3 335.831 3.703 20 10 EHCDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000066236446 1035302946 /nfs/dbraw/zinc/30/29/46/1035302946.db2.gz WLUUEXAKJDNKJI-QGZVFWFLSA-N 0 3 340.467 3.691 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000179875313 1037954301 /nfs/dbraw/zinc/95/43/01/1037954301.db2.gz LOWRZDZWIXRQFG-GJZGRUSLSA-N 0 3 334.460 3.690 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cc(F)ccc1[O-] ZINC000185011129 1038984576 /nfs/dbraw/zinc/98/45/76/1038984576.db2.gz DWOBPVXGDMWCQG-CQSZACIVSA-N 0 3 342.414 3.505 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cc(F)ccc1[O-] ZINC000185073732 1039003086 /nfs/dbraw/zinc/00/30/86/1039003086.db2.gz OLTBADGRNJSIFC-CQSZACIVSA-N 0 3 346.421 3.986 20 10 EHCDHN CCOC1(C)CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000312543994 1040095114 /nfs/dbraw/zinc/09/51/14/1040095114.db2.gz RBZXDUJQCIOKLH-UHFFFAOYSA-N 0 3 342.277 3.854 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Br)ccc1[O-] ZINC000044534531 1040977752 /nfs/dbraw/zinc/97/77/52/1040977752.db2.gz IINPGTBMAFFWDO-WFASDCNBSA-N 0 3 341.293 3.537 20 10 EHCDHN CN(Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183747408 1125768881 /nfs/dbraw/zinc/76/88/81/1125768881.db2.gz XRUXGPYPVMSDPJ-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(C(F)(F)F)cn2)c([O-])c1 ZINC000186108342 1127274417 /nfs/dbraw/zinc/27/44/17/1127274417.db2.gz GLASLYFTPSQFOF-GFCCVEGCSA-N 0 3 340.345 3.844 20 10 EHCDHN Cc1cccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000764570553 1127507350 /nfs/dbraw/zinc/50/73/50/1127507350.db2.gz FCKWCHBBXSAIPB-INIZCTEOSA-N 0 3 325.456 3.659 20 10 EHCDHN Cc1c2ccccc2n(C)c1CNCc1cnn(CC(F)(F)F)c1 ZINC000355129842 1128903657 /nfs/dbraw/zinc/90/36/57/1128903657.db2.gz XGJVWDQWBHNAJB-UHFFFAOYSA-N 0 3 336.361 3.535 20 10 EHCDHN COc1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1C ZINC000068706187 1124004033 /nfs/dbraw/zinc/00/40/33/1124004033.db2.gz ZXRASSJTDPPOGB-MRXNPFEDSA-N 0 3 338.451 3.981 20 10 EHCDHN Cc1ccc(O)c(CNCc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000735507706 1131351693 /nfs/dbraw/zinc/35/16/93/1131351693.db2.gz VEAAXBAMGAAMTM-UHFFFAOYSA-N 0 3 327.815 3.830 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1[O-])COCc1ccccc1 ZINC000702789127 1130245211 /nfs/dbraw/zinc/24/52/11/1130245211.db2.gz CKNDVPGPNXXJLB-UWJYYQICSA-N 0 3 343.467 3.973 20 10 EHCDHN Cc1ccc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000736309439 1131416253 /nfs/dbraw/zinc/41/62/53/1131416253.db2.gz AAHAUKAXYAWZJY-FQEVSTJZSA-N 0 3 325.452 3.924 20 10 EHCDHN Cc1ccc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000736309439 1131416256 /nfs/dbraw/zinc/41/62/56/1131416256.db2.gz AAHAUKAXYAWZJY-FQEVSTJZSA-N 0 3 325.452 3.924 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921680 1131905658 /nfs/dbraw/zinc/90/56/58/1131905658.db2.gz QRAVSDXORDHYJW-KRWDZBQOSA-N 0 3 326.396 3.680 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921680 1131905663 /nfs/dbraw/zinc/90/56/63/1131905663.db2.gz QRAVSDXORDHYJW-KRWDZBQOSA-N 0 3 326.396 3.680 20 10 EHCDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(O)c1[O-] ZINC001173079156 1131959608 /nfs/dbraw/zinc/95/96/08/1131959608.db2.gz MSSJTKJRXOXQJE-NSHDSACASA-N 0 3 341.329 3.717 20 10 EHCDHN CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000103479502 1132903838 /nfs/dbraw/zinc/90/38/38/1132903838.db2.gz TXPZMOOBXNMCOC-UHFFFAOYSA-N 0 3 342.439 3.642 20 10 EHCDHN CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000103479502 1132903844 /nfs/dbraw/zinc/90/38/44/1132903844.db2.gz TXPZMOOBXNMCOC-UHFFFAOYSA-N 0 3 342.439 3.642 20 10 EHCDHN CN(C)c1ccc(/C=C/CNCc2ccnc(OCC3CC3)c2)cc1 ZINC001177674069 1133091592 /nfs/dbraw/zinc/09/15/92/1133091592.db2.gz KAMRTYAAROBOMZ-ONEGZZNKSA-N 0 3 337.467 3.739 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(OC)c1OC ZINC000768134892 1133100631 /nfs/dbraw/zinc/10/06/31/1133100631.db2.gz XFRVWDXXVQLXHD-UHFFFAOYSA-N 0 3 328.456 3.792 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCc2ccccc21 ZINC000768443249 1133138774 /nfs/dbraw/zinc/13/87/74/1133138774.db2.gz BZGITQFBZFWJFW-UYAOXDASSA-N 0 3 339.435 3.718 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCc2ccccc21 ZINC000768443249 1133138777 /nfs/dbraw/zinc/13/87/77/1133138777.db2.gz BZGITQFBZFWJFW-UYAOXDASSA-N 0 3 339.435 3.718 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC(C)(C)C2)c1[O-] ZINC000768661547 1133167912 /nfs/dbraw/zinc/16/79/12/1133167912.db2.gz GAUGBZKRMCNBSY-GFCCVEGCSA-N 0 3 328.250 3.832 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c([O-])c1 ZINC000769236659 1133247803 /nfs/dbraw/zinc/24/78/03/1133247803.db2.gz BVPYXGYLQVSFRZ-MRXNPFEDSA-N 0 3 327.424 3.789 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c([O-])c1 ZINC000769236659 1133247806 /nfs/dbraw/zinc/24/78/06/1133247806.db2.gz BVPYXGYLQVSFRZ-MRXNPFEDSA-N 0 3 327.424 3.789 20 10 EHCDHN COc1cccc(O)c1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000769313070 1133259593 /nfs/dbraw/zinc/25/95/93/1133259593.db2.gz SBKCLHCUNSFXKS-INIZCTEOSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000769313070 1133259598 /nfs/dbraw/zinc/25/95/98/1133259598.db2.gz SBKCLHCUNSFXKS-INIZCTEOSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000769313070 1133259605 /nfs/dbraw/zinc/25/96/05/1133259605.db2.gz SBKCLHCUNSFXKS-INIZCTEOSA-N 0 3 341.407 3.509 20 10 EHCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000769417960 1133280508 /nfs/dbraw/zinc/28/05/08/1133280508.db2.gz YENNPJJWIBNLBT-LOWVWBTDSA-N 0 3 338.423 3.582 20 10 EHCDHN COC(=O)c1c(CN2CC[C@@H](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001180198873 1133347793 /nfs/dbraw/zinc/34/77/93/1133347793.db2.gz KOTUNGBJHJNQJG-OLZOCXBDSA-N 0 3 332.419 3.582 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000770326676 1133411421 /nfs/dbraw/zinc/41/14/21/1133411421.db2.gz QKVYMLUEBFWXBG-QAPCUYQASA-N 0 3 345.439 3.862 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000770326676 1133411424 /nfs/dbraw/zinc/41/14/24/1133411424.db2.gz QKVYMLUEBFWXBG-QAPCUYQASA-N 0 3 345.439 3.862 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770509762 1133436099 /nfs/dbraw/zinc/43/60/99/1133436099.db2.gz TUPBYFQXJQYBCS-GDBMZVCRSA-N 0 3 334.460 3.660 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770509762 1133436102 /nfs/dbraw/zinc/43/61/02/1133436102.db2.gz TUPBYFQXJQYBCS-GDBMZVCRSA-N 0 3 334.460 3.660 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cc(F)ccc1F ZINC000774480340 1133687137 /nfs/dbraw/zinc/68/71/37/1133687137.db2.gz AIIMZWFTYSPTAK-CHWSQXEVSA-N 0 3 347.409 3.709 20 10 EHCDHN CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccnn1C ZINC000788260304 1134102222 /nfs/dbraw/zinc/10/22/22/1134102222.db2.gz YMNVXDGPBDFVJW-UMVBOHGHSA-N 0 3 331.435 3.843 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC000788801437 1134171586 /nfs/dbraw/zinc/17/15/86/1134171586.db2.gz MZWMTLJMLYSLQZ-KSZLIROESA-N 0 3 344.499 3.841 20 10 EHCDHN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000789767235 1134328923 /nfs/dbraw/zinc/32/89/23/1134328923.db2.gz GFMGXWPZKVVCMZ-ZDUSSCGKSA-N 0 3 344.386 3.681 20 10 EHCDHN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000789767235 1134328929 /nfs/dbraw/zinc/32/89/29/1134328929.db2.gz GFMGXWPZKVVCMZ-ZDUSSCGKSA-N 0 3 344.386 3.681 20 10 EHCDHN Cc1cc(CN2C[C@H](C)OC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000790406470 1134412061 /nfs/dbraw/zinc/41/20/61/1134412061.db2.gz XLTNUGNTZVULGZ-INIZCTEOSA-N 0 3 347.499 3.768 20 10 EHCDHN COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170304950 1134740100 /nfs/dbraw/zinc/74/01/00/1134740100.db2.gz IKBAWOWEGXFDRR-QWHCGFSZSA-N 0 3 330.384 3.591 20 10 EHCDHN Oc1ccc(Br)cc1CNc1ccnc2ccccc21 ZINC000804828532 1135205262 /nfs/dbraw/zinc/20/52/62/1135205262.db2.gz YWIGERDDMYLMDJ-UHFFFAOYSA-N 0 3 329.197 3.737 20 10 EHCDHN CCOC(=O)CC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775648485 1135406119 /nfs/dbraw/zinc/40/61/19/1135406119.db2.gz ACVWARLGRQPCFP-UHFFFAOYSA-N 0 3 325.836 3.519 20 10 EHCDHN CCOC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775727642 1135585611 /nfs/dbraw/zinc/58/56/11/1135585611.db2.gz WGOJHMNPOOFKRF-UHFFFAOYSA-N 0 3 339.863 3.909 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000808709228 1135717987 /nfs/dbraw/zinc/71/79/87/1135717987.db2.gz WAFRZTJYQQPEQR-ZFWWWQNUSA-N 0 3 331.847 3.679 20 10 EHCDHN Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716043 1135720068 /nfs/dbraw/zinc/72/00/68/1135720068.db2.gz QLKRGDBNHHRGET-YOEHRIQHSA-N 0 3 333.859 3.917 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809768144 1135880594 /nfs/dbraw/zinc/88/05/94/1135880594.db2.gz DAHLBKRWTZEBFS-MRXNPFEDSA-N 0 3 325.387 3.546 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809768144 1135880598 /nfs/dbraw/zinc/88/05/98/1135880598.db2.gz DAHLBKRWTZEBFS-MRXNPFEDSA-N 0 3 325.387 3.546 20 10 EHCDHN COc1cc(Cl)cc(CN(C)Cc2ccccc2N(C)C)c1O ZINC000809787372 1135891322 /nfs/dbraw/zinc/89/13/22/1135891322.db2.gz ANULNTXZFRPNSG-UHFFFAOYSA-N 0 3 334.847 3.752 20 10 EHCDHN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003989 1135915637 /nfs/dbraw/zinc/91/56/37/1135915637.db2.gz YYQONYNALUAEFU-MFKMUULPSA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003989 1135915639 /nfs/dbraw/zinc/91/56/39/1135915639.db2.gz YYQONYNALUAEFU-MFKMUULPSA-N 0 3 328.250 3.784 20 10 EHCDHN C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)N1CCc2ccccc21 ZINC001199924232 1135938256 /nfs/dbraw/zinc/93/82/56/1135938256.db2.gz DFIBCDFMRCHGHV-AWEZNQCLSA-N 0 3 345.437 3.572 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CC2(O)CCCCCC2)c1[O-] ZINC000776208867 1136060241 /nfs/dbraw/zinc/06/02/41/1136060241.db2.gz JBWMYROIBGTSFQ-UHFFFAOYSA-N 0 3 342.277 3.638 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)c2c1 ZINC000811777887 1136134347 /nfs/dbraw/zinc/13/43/47/1136134347.db2.gz KPEBBMCFJBQBQW-WOJBJXKFSA-N 0 3 341.451 3.943 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)c2c1 ZINC000811777887 1136134348 /nfs/dbraw/zinc/13/43/48/1136134348.db2.gz KPEBBMCFJBQBQW-WOJBJXKFSA-N 0 3 341.451 3.943 20 10 EHCDHN COc1cc(CNCc2ccccc2OC)c(O)c(C(C)(C)C)c1 ZINC000850004631 1136198268 /nfs/dbraw/zinc/19/82/68/1136198268.db2.gz PGPYOUNDGQOBQL-UHFFFAOYSA-N 0 3 329.440 3.997 20 10 EHCDHN CCN(CC)c1ccc(CNCc2c(C3CCC3)cnn2C)cc1 ZINC000850035171 1136201208 /nfs/dbraw/zinc/20/12/08/1136201208.db2.gz WSNLHMLYGDNXRU-UHFFFAOYSA-N 0 3 326.488 3.824 20 10 EHCDHN CCOc1cccc(CNCc2cc(F)ccc2OC(F)F)c1O ZINC000850408895 1136252308 /nfs/dbraw/zinc/25/23/08/1136252308.db2.gz UUXMRLWBJJQGCS-UHFFFAOYSA-N 0 3 341.329 3.821 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(F)cc(F)c1 ZINC000850566570 1136287327 /nfs/dbraw/zinc/28/73/27/1136287327.db2.gz PQSIUEBYMMIJBC-CQSZACIVSA-N 0 3 346.421 3.777 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c([O-])c1 ZINC000776497761 1136312016 /nfs/dbraw/zinc/31/20/16/1136312016.db2.gz FEEAPYNTJPQDPV-DJJJIMSYSA-N 0 3 333.403 3.796 20 10 EHCDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000747859245 1136343702 /nfs/dbraw/zinc/34/37/02/1136343702.db2.gz KFKWTKMTFUQTDQ-CQSZACIVSA-N 0 3 341.455 3.570 20 10 EHCDHN CC[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000813881599 1136372283 /nfs/dbraw/zinc/37/22/83/1136372283.db2.gz QOLOCTUDZABTNU-HXUWFJFHSA-N 0 3 349.478 3.845 20 10 EHCDHN CC1(C)C[C@]1(NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000853091848 1136507918 /nfs/dbraw/zinc/50/79/18/1136507918.db2.gz VZQUIWKLVJPYOG-QFIPXVFZSA-N 0 3 336.479 3.938 20 10 EHCDHN C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1[O-] ZINC000111236065 1136524480 /nfs/dbraw/zinc/52/44/80/1136524480.db2.gz BSXLUTMKUSRURP-UHFFFAOYSA-N 0 3 336.794 3.645 20 10 EHCDHN C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1[O-] ZINC000111236065 1136524482 /nfs/dbraw/zinc/52/44/82/1136524482.db2.gz BSXLUTMKUSRURP-UHFFFAOYSA-N 0 3 336.794 3.645 20 10 EHCDHN COc1cc(C)cc(CN(C)Cc2cc(OC)c(OC)cc2C)c1O ZINC000111702605 1136572882 /nfs/dbraw/zinc/57/28/82/1136572882.db2.gz FWRWIEASGOKQEV-UHFFFAOYSA-N 0 3 345.439 3.667 20 10 EHCDHN CCN(CC)C(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815566417 1136611789 /nfs/dbraw/zinc/61/17/89/1136611789.db2.gz SUHJRHVDEDGHFO-IBGZPJMESA-N 0 3 340.467 3.524 20 10 EHCDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815582551 1136614064 /nfs/dbraw/zinc/61/40/64/1136614064.db2.gz JJWQXNPPWZIROF-XFQXTVEOSA-N 0 3 345.508 3.768 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000816545014 1136732369 /nfs/dbraw/zinc/73/23/69/1136732369.db2.gz ZVSNBWPFBDPRDA-UHFFFAOYSA-N 0 3 340.870 3.929 20 10 EHCDHN [O-]c1c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc2ccccc21 ZINC000816522249 1136733185 /nfs/dbraw/zinc/73/31/85/1136733185.db2.gz QIKLMIHVZSSURM-QGZVFWFLSA-N 0 3 348.450 3.921 20 10 EHCDHN [O-]c1c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc2ccccc21 ZINC000816522249 1136733188 /nfs/dbraw/zinc/73/31/88/1136733188.db2.gz QIKLMIHVZSSURM-QGZVFWFLSA-N 0 3 348.450 3.921 20 10 EHCDHN CCCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000856765522 1136808032 /nfs/dbraw/zinc/80/80/32/1136808032.db2.gz HDPMVPVJOSESND-UHFFFAOYSA-N 0 3 348.487 3.966 20 10 EHCDHN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1OC1CC1 ZINC000858117006 1136941423 /nfs/dbraw/zinc/94/14/23/1136941423.db2.gz WOFDPKCEHVPBDI-UHFFFAOYSA-N 0 3 344.430 3.731 20 10 EHCDHN Oc1ccccc1CNCc1cccc(F)c1OCC(F)(F)F ZINC000858120808 1136941968 /nfs/dbraw/zinc/94/19/68/1136941968.db2.gz MXVWWTNQOAWZGC-UHFFFAOYSA-N 0 3 329.293 3.762 20 10 EHCDHN COc1ccc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)c(OC)c1 ZINC000858502343 1136974132 /nfs/dbraw/zinc/97/41/32/1136974132.db2.gz JVNGASYANBZGES-STQMWFEESA-N 0 3 331.412 3.830 20 10 EHCDHN COc1cc(F)cc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000823670996 1137109070 /nfs/dbraw/zinc/10/90/70/1137109070.db2.gz HHDZFUDQXJTLNH-UHFFFAOYSA-N 0 3 346.471 3.677 20 10 EHCDHN Cc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1F ZINC000823730114 1137112282 /nfs/dbraw/zinc/11/22/82/1137112282.db2.gz QUHHHCFLCYJNOA-INIZCTEOSA-N 0 3 328.431 3.822 20 10 EHCDHN Cc1cc(Br)cc(CN[C@H](C)c2ccns2)c1O ZINC000862540044 1137148727 /nfs/dbraw/zinc/14/87/27/1137148727.db2.gz XZBOBEQQMYRGRU-SECBINFHSA-N 0 3 327.247 3.770 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccns2)c1[O-] ZINC000862540044 1137148728 /nfs/dbraw/zinc/14/87/28/1137148728.db2.gz XZBOBEQQMYRGRU-SECBINFHSA-N 0 3 327.247 3.770 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(OC)c2ccccc2)c1[O-] ZINC000824780518 1137151830 /nfs/dbraw/zinc/15/18/30/1137151830.db2.gz RMVHHZSBWBMFGL-GOSISDBHSA-N 0 3 335.831 3.706 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824794974 1137154491 /nfs/dbraw/zinc/15/44/91/1137154491.db2.gz JJRBIYKSIIHJRN-UHFFFAOYSA-N 0 3 329.415 3.915 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc(C(=O)OC)c(F)c2)cc1 ZINC000825124954 1137166481 /nfs/dbraw/zinc/16/64/81/1137166481.db2.gz BDAZBPXAPBFPIG-UHFFFAOYSA-N 0 3 344.430 3.748 20 10 EHCDHN CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1[O-] ZINC000794810165 1137259490 /nfs/dbraw/zinc/25/94/90/1137259490.db2.gz JQLDDFKEMXTUDA-QGZVFWFLSA-N 0 3 330.384 3.729 20 10 EHCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1C(C)C ZINC000794903634 1137332707 /nfs/dbraw/zinc/33/27/07/1137332707.db2.gz VCXPGKDLHAEYIU-OXQOHEQNSA-N 0 3 333.472 3.594 20 10 EHCDHN COC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(F)c(F)c1 ZINC000846159411 1137336993 /nfs/dbraw/zinc/33/69/93/1137336993.db2.gz OHBGBXLLGZKNPR-BZNIZROVSA-N 0 3 337.366 3.717 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@H](O)C(F)F ZINC000866442503 1137355267 /nfs/dbraw/zinc/35/52/67/1137355267.db2.gz NJOTZFFYUGKWEE-AEFFLSMTSA-N 0 3 335.394 3.672 20 10 EHCDHN Fc1cc2c(c(F)c1)CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000121130557 1137367722 /nfs/dbraw/zinc/36/77/22/1137367722.db2.gz KCTJSIXYQOXNFZ-HXUWFJFHSA-N 0 3 344.405 3.579 20 10 EHCDHN Cc1ccc(N2CC[C@H](N[C@H](C)c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000773017617 1137459414 /nfs/dbraw/zinc/45/94/14/1137459414.db2.gz SIRVDEVMLPWPET-UZLBHIALSA-N 0 3 337.467 3.517 20 10 EHCDHN C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(N(C)C)cc1 ZINC000773045828 1137461476 /nfs/dbraw/zinc/46/14/76/1137461476.db2.gz XWTIZMMIORKMFO-ZDUSSCGKSA-N 0 3 339.418 3.528 20 10 EHCDHN C[C@H](NCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000773045828 1137461478 /nfs/dbraw/zinc/46/14/78/1137461478.db2.gz XWTIZMMIORKMFO-ZDUSSCGKSA-N 0 3 339.418 3.528 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3nccnc3c2)cc1F ZINC000873047708 1137588881 /nfs/dbraw/zinc/58/88/81/1137588881.db2.gz ACWPVGBOWUDEQA-UHFFFAOYSA-N 0 3 338.430 3.905 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3oc(=O)[nH]c3c2)cc1F ZINC000873172671 1137592294 /nfs/dbraw/zinc/59/22/94/1137592294.db2.gz DMWUQHFHECPDBH-UHFFFAOYSA-N 0 3 343.402 3.809 20 10 EHCDHN OC1CCN(c2ccc(CNC3(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000877022558 1137667882 /nfs/dbraw/zinc/66/78/82/1137667882.db2.gz NRGVYDIZMNNDPC-UHFFFAOYSA-N 0 3 340.442 3.566 20 10 EHCDHN CC1CCN(c2ccc(CNCc3cccc(F)c3N)cc2)CC1 ZINC000877024624 1137668013 /nfs/dbraw/zinc/66/80/13/1137668013.db2.gz JNCCISZRTDWMSY-UHFFFAOYSA-N 0 3 327.447 3.934 20 10 EHCDHN Cc1ccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877048036 1137668720 /nfs/dbraw/zinc/66/87/20/1137668720.db2.gz HDHSDQLCEWLRDO-UHFFFAOYSA-N 0 3 334.460 3.626 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000877544736 1137680640 /nfs/dbraw/zinc/68/06/40/1137680640.db2.gz VPUALRKQWHOQQY-NRFANRHFSA-N 0 3 325.452 3.518 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000877544736 1137680641 /nfs/dbraw/zinc/68/06/41/1137680641.db2.gz VPUALRKQWHOQQY-NRFANRHFSA-N 0 3 325.452 3.518 20 10 EHCDHN COc1cc(O)c(CNCc2ccsc2C(F)(F)F)cc1OC ZINC000877663601 1137684834 /nfs/dbraw/zinc/68/48/34/1137684834.db2.gz VUCBEGOPRHXDER-UHFFFAOYSA-N 0 3 347.358 3.780 20 10 EHCDHN COc1cc(O)c(CNCc2ccc(C(F)(F)F)s2)cc1OC ZINC000877804789 1137690482 /nfs/dbraw/zinc/69/04/82/1137690482.db2.gz DGCSLNKNFCRSGX-UHFFFAOYSA-N 0 3 347.358 3.780 20 10 EHCDHN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651684 1137753888 /nfs/dbraw/zinc/75/38/88/1137753888.db2.gz HEBMMSVLQLYBGH-OWCLPIDISA-N 0 3 326.440 3.617 20 10 EHCDHN Fc1cc(CN(Cc2cccs2)C2CC2)ccc1N1CCOCC1 ZINC000130249158 1137835733 /nfs/dbraw/zinc/83/57/33/1137835733.db2.gz CVYRPGYUVSCOIP-UHFFFAOYSA-N 0 3 346.471 3.888 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCOCC3)CO2)c2c1c(F)ccc2[O-] ZINC000883263069 1137851239 /nfs/dbraw/zinc/85/12/39/1137851239.db2.gz GCNODARFYUGEEI-IIAWOOMASA-N 0 3 349.446 3.645 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(n3ccnc3)CC2)cc1F ZINC000092648573 1138230433 /nfs/dbraw/zinc/23/04/33/1138230433.db2.gz SHBLXYUKIGFZGY-UHFFFAOYSA-N 0 3 330.451 3.706 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccs1 ZINC000151522731 1139039890 /nfs/dbraw/zinc/03/98/90/1139039890.db2.gz NAWYXCNCWJAYIE-CYBMUJFWSA-N 0 3 334.460 3.699 20 10 EHCDHN CCOc1cccc(CNCc2ccc(OC(C)(C)C)nc2)c1O ZINC000180888060 1139871519 /nfs/dbraw/zinc/87/15/19/1139871519.db2.gz HSZKHIOJZSOTKK-UHFFFAOYSA-N 0 3 330.428 3.653 20 10 EHCDHN C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccccc1[O-] ZINC000183432126 1140038141 /nfs/dbraw/zinc/03/81/41/1140038141.db2.gz PQHOOVHHHQBARN-AWEZNQCLSA-N 0 3 346.421 3.986 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(O[C@@H]2CCOC2)c1 ZINC000183557957 1140046198 /nfs/dbraw/zinc/04/61/98/1140046198.db2.gz DGEXAGJRJSRDTA-NVXWUHKLSA-N 0 3 327.424 3.719 20 10 EHCDHN COc1cc2c(cc1CN[C@@H](C)c1cc(C)ccc1O)O[C@@H](C)C2 ZINC000184974977 1140128478 /nfs/dbraw/zinc/12/84/78/1140128478.db2.gz VNQDSAGESOJYFQ-KBPBESRZSA-N 0 3 327.424 3.883 20 10 EHCDHN CCCCOc1ncccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000185143664 1140137792 /nfs/dbraw/zinc/13/77/92/1140137792.db2.gz XKBBFQDUZJNGLN-CQSZACIVSA-N 0 3 330.428 3.826 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000185151398 1140138235 /nfs/dbraw/zinc/13/82/35/1140138235.db2.gz NXZPIECMCLHELT-JTQLQIEISA-N 0 3 337.778 3.807 20 10 EHCDHN COc1ccccc1N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185244972 1140141466 /nfs/dbraw/zinc/14/14/66/1140141466.db2.gz QZFIBHUXORWWDC-CQSZACIVSA-N 0 3 344.430 3.860 20 10 EHCDHN C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185646841 1140160741 /nfs/dbraw/zinc/16/07/41/1140160741.db2.gz XXAGIAYNUMRLFR-LBPRGKRZSA-N 0 3 348.384 3.846 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000189079274 1140319994 /nfs/dbraw/zinc/31/99/94/1140319994.db2.gz GQNKNLNULWGQTB-MOPGFXCFSA-N 0 3 338.451 3.542 20 10 EHCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274342642 1141499553 /nfs/dbraw/zinc/49/95/53/1141499553.db2.gz DIOITQZIMWKXCF-SJCJKPOMSA-N 0 3 329.396 3.584 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1[O-] ZINC000155116234 1016172659 /nfs/dbraw/zinc/17/26/59/1016172659.db2.gz WAYWDNJCOSREKS-IBGZPJMESA-N 0 3 338.451 3.756 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)c1[O-] ZINC000275283347 1016295649 /nfs/dbraw/zinc/29/56/49/1016295649.db2.gz FJKGSKNSRWYOGC-MDZLAQPJSA-N 0 3 328.250 3.681 20 10 EHCDHN C[C@@H](c1cccs1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000157827851 1033035385 /nfs/dbraw/zinc/03/53/85/1033035385.db2.gz CHXOAMXPOVOFOS-AWEZNQCLSA-N 0 3 334.460 3.917 20 10 EHCDHN COc1ccc(CNC(C)(C)c2ccc(F)cc2F)c(O)c1OC ZINC000896064616 1025117964 /nfs/dbraw/zinc/11/79/64/1025117964.db2.gz NYMYIIYXESTZGD-UHFFFAOYSA-N 0 3 337.366 3.713 20 10 EHCDHN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197831 1025372598 /nfs/dbraw/zinc/37/25/98/1025372598.db2.gz YKTARHAMEQJCKQ-KGLIPLIRSA-N 0 3 325.474 3.515 20 10 EHCDHN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197831 1025372612 /nfs/dbraw/zinc/37/26/12/1025372612.db2.gz YKTARHAMEQJCKQ-KGLIPLIRSA-N 0 3 325.474 3.515 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273213372 1027315413 /nfs/dbraw/zinc/31/54/13/1027315413.db2.gz UFCDAQNZSIEWFH-MAUKXSAKSA-N 0 3 327.424 3.628 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271813593 1029185329 /nfs/dbraw/zinc/18/53/29/1029185329.db2.gz MKSGUPCQBYLERH-CYBMUJFWSA-N 0 3 347.846 3.994 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271813593 1029185334 /nfs/dbraw/zinc/18/53/34/1029185334.db2.gz MKSGUPCQBYLERH-CYBMUJFWSA-N 0 3 347.846 3.994 20 10 EHCDHN Cc1cc(Cl)cc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271813593 1029185337 /nfs/dbraw/zinc/18/53/37/1029185337.db2.gz MKSGUPCQBYLERH-CYBMUJFWSA-N 0 3 347.846 3.994 20 10 EHCDHN CCn1nncc1CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000527725150 1031153206 /nfs/dbraw/zinc/15/32/06/1031153206.db2.gz DJKNJIFYYZGFPF-UHFFFAOYSA-N 0 3 344.503 3.888 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000527926266 1031419601 /nfs/dbraw/zinc/41/96/01/1031419601.db2.gz KKCGQIVREFPBKW-QWHCGFSZSA-N 0 3 342.277 3.930 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000180131511 1031804111 /nfs/dbraw/zinc/80/41/11/1031804111.db2.gz IBTDTZARTMLPPB-IBGZPJMESA-N 0 3 333.378 3.616 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000195136720 1032047895 /nfs/dbraw/zinc/04/78/95/1032047895.db2.gz TVTGWUHIIANSEE-WBVHZDCISA-N 0 3 328.431 3.704 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1[O-] ZINC000898071485 1033322398 /nfs/dbraw/zinc/32/23/98/1033322398.db2.gz LUMAZFHFNSVLTK-NSHDSACASA-N 0 3 338.860 3.575 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1[O-] ZINC000898071485 1033322406 /nfs/dbraw/zinc/32/24/06/1033322406.db2.gz LUMAZFHFNSVLTK-NSHDSACASA-N 0 3 338.860 3.575 20 10 EHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898181342 1033382159 /nfs/dbraw/zinc/38/21/59/1033382159.db2.gz FPEKCTJRZKZXQC-KGLIPLIRSA-N 0 3 329.444 3.809 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000761196070 1034401546 /nfs/dbraw/zinc/40/15/46/1034401546.db2.gz VGAXDKSSYQXANS-SFHVURJKSA-N 0 3 347.842 3.800 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1[O-] ZINC000761196070 1034401553 /nfs/dbraw/zinc/40/15/53/1034401553.db2.gz VGAXDKSSYQXANS-SFHVURJKSA-N 0 3 347.842 3.800 20 10 EHCDHN COc1cc(Cl)cc(CN(C)C[C@@H]2OCCc3ccccc32)c1O ZINC000761196070 1034401558 /nfs/dbraw/zinc/40/15/58/1034401558.db2.gz VGAXDKSSYQXANS-SFHVURJKSA-N 0 3 347.842 3.800 20 10 EHCDHN COc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)c(O)c1OC ZINC000893684589 1043872067 /nfs/dbraw/zinc/87/20/67/1043872067.db2.gz DIOQVDPBSWBLDL-PWSUYJOCSA-N 0 3 333.350 3.572 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000279824120 1044701896 /nfs/dbraw/zinc/70/18/96/1044701896.db2.gz APZWLOJVARORLM-INIZCTEOSA-N 0 3 329.465 3.814 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1[O-] ZINC000185062725 1126747541 /nfs/dbraw/zinc/74/75/41/1126747541.db2.gz UXTUMPJZLIOHDQ-CQSZACIVSA-N 0 3 346.471 3.935 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)c([O-])c1 ZINC000185174357 1126803261 /nfs/dbraw/zinc/80/32/61/1126803261.db2.gz BTXFTMVPYUGKJT-GJZGRUSLSA-N 0 3 330.497 3.860 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000185292074 1126859378 /nfs/dbraw/zinc/85/93/78/1126859378.db2.gz PCFZCZBRLYIEAC-OAHLLOKOSA-N 0 3 348.487 3.998 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC000368365600 1127415149 /nfs/dbraw/zinc/41/51/49/1127415149.db2.gz SOCGDHNUYGPFNW-PBHICJAKSA-N 0 3 346.471 3.832 20 10 EHCDHN [O-]c1c(CNc2ccc3c(c2)C[NH2+]C3)cc(Cl)c2cccnc12 ZINC001168522277 1122383847 /nfs/dbraw/zinc/38/38/47/1122383847.db2.gz DURRDSOBUKPKEC-UHFFFAOYSA-N 0 3 325.799 3.809 20 10 EHCDHN CCOc1ccccc1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000917090080 1122487927 /nfs/dbraw/zinc/48/79/27/1122487927.db2.gz ZQJWCLYIHCZLPN-UHFFFAOYSA-N 0 3 340.467 3.806 20 10 EHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(N2CCCC2=O)c1 ZINC000068706452 1124004044 /nfs/dbraw/zinc/00/40/44/1124004044.db2.gz NFKVAFLGYHUFFN-MRXNPFEDSA-N 0 3 337.467 3.730 20 10 EHCDHN CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(-c4ccccc4)ccc3[O-])C[C@@H]2O1 ZINC000922876072 1129699960 /nfs/dbraw/zinc/69/99/60/1129699960.db2.gz QYJSGVUEOMGYIV-VJDPLVQDSA-N 0 3 339.435 3.831 20 10 EHCDHN CC1CC[NH+](Cc2ccccc2CNC(=O)c2cc([O-])cs2)CC1 ZINC000731869184 1130856623 /nfs/dbraw/zinc/85/66/23/1130856623.db2.gz ASXGVANLMYASCA-UHFFFAOYSA-N 0 3 344.480 3.616 20 10 EHCDHN COC(=O)c1coc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204247 1130899819 /nfs/dbraw/zinc/89/98/19/1130899819.db2.gz GTODJJKBLXOMBL-UHFFFAOYSA-N 0 3 329.396 3.717 20 10 EHCDHN COC(=O)c1coc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000732204247 1130899825 /nfs/dbraw/zinc/89/98/25/1130899825.db2.gz GTODJJKBLXOMBL-UHFFFAOYSA-N 0 3 329.396 3.717 20 10 EHCDHN Cc1cc(C(=O)NC[C@H]2CCCN2C)c(C)n1-c1ccc(Cl)cc1 ZINC000733169495 1131003652 /nfs/dbraw/zinc/00/36/52/1131003652.db2.gz VSPCQGFPDSGOHX-QGZVFWFLSA-N 0 3 345.874 3.572 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]CCCOc1cccc2cccnc21 ZINC000733326735 1131026238 /nfs/dbraw/zinc/02/62/38/1131026238.db2.gz XBNOLKQRQDXRTC-UHFFFAOYSA-N 0 3 338.407 3.508 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@H]3CC(C)C)c2c1 ZINC000733790095 1131080277 /nfs/dbraw/zinc/08/02/77/1131080277.db2.gz FQMIGQFFBTWONV-MRXNPFEDSA-N 0 3 329.440 3.801 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@H]3CC(C)C)c2c1 ZINC000733790095 1131080283 /nfs/dbraw/zinc/08/02/83/1131080283.db2.gz FQMIGQFFBTWONV-MRXNPFEDSA-N 0 3 329.440 3.801 20 10 EHCDHN CC[C@H]1C[N@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)CCS1 ZINC000743397604 1131911477 /nfs/dbraw/zinc/91/14/77/1131911477.db2.gz OOTPNOSSWLOMOK-AWEZNQCLSA-N 0 3 345.464 3.659 20 10 EHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)CCS1 ZINC000743397604 1131911483 /nfs/dbraw/zinc/91/14/83/1131911483.db2.gz OOTPNOSSWLOMOK-AWEZNQCLSA-N 0 3 345.464 3.659 20 10 EHCDHN C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073986 1131955834 /nfs/dbraw/zinc/95/58/34/1131955834.db2.gz FSGXZMSSUFJIFF-ZBFHGGJFSA-N 0 3 346.471 3.538 20 10 EHCDHN C[C@@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073986 1131955839 /nfs/dbraw/zinc/95/58/39/1131955839.db2.gz FSGXZMSSUFJIFF-ZBFHGGJFSA-N 0 3 346.471 3.538 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccccc1C ZINC000743869899 1131995773 /nfs/dbraw/zinc/99/57/73/1131995773.db2.gz FSLBXEZXHITONJ-KRWDZBQOSA-N 0 3 340.467 3.618 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccccc1C ZINC000743869899 1131995781 /nfs/dbraw/zinc/99/57/81/1131995781.db2.gz FSLBXEZXHITONJ-KRWDZBQOSA-N 0 3 340.467 3.618 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000378917356 1132426338 /nfs/dbraw/zinc/42/63/38/1132426338.db2.gz MZFJQMQSQBMANU-IBGZPJMESA-N 0 3 334.460 3.519 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(OCC(F)F)cc2)cc1F ZINC001177554147 1133075154 /nfs/dbraw/zinc/07/51/54/1133075154.db2.gz LTZHAPXOGSMFBJ-UHFFFAOYSA-N 0 3 338.373 3.825 20 10 EHCDHN COc1ccc([C@H]2CCCN2Cc2c(O)cccc2OC)c(OC)c1 ZINC000768205973 1133108098 /nfs/dbraw/zinc/10/80/98/1133108098.db2.gz CSIXAMNAFUKUGA-QGZVFWFLSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)c(OC)c1 ZINC000768205973 1133108101 /nfs/dbraw/zinc/10/81/01/1133108101.db2.gz CSIXAMNAFUKUGA-QGZVFWFLSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)c(OC)c1 ZINC000768205973 1133108104 /nfs/dbraw/zinc/10/81/04/1133108104.db2.gz CSIXAMNAFUKUGA-QGZVFWFLSA-N 0 3 343.423 3.755 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768440923 1133139609 /nfs/dbraw/zinc/13/96/09/1133139609.db2.gz HUHGMJDTKWGKMS-AEFFLSMTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768440923 1133139613 /nfs/dbraw/zinc/13/96/13/1133139613.db2.gz HUHGMJDTKWGKMS-AEFFLSMTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)[C@@H](O)CO2 ZINC000768440923 1133139616 /nfs/dbraw/zinc/13/96/16/1133139616.db2.gz HUHGMJDTKWGKMS-AEFFLSMTSA-N 0 3 345.826 3.809 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CC(F)(F)F)c1[O-] ZINC000768526754 1133150396 /nfs/dbraw/zinc/15/03/96/1133150396.db2.gz RBXPOWKWQSKMJD-QMMMGPOBSA-N 0 3 326.156 3.894 20 10 EHCDHN CC[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768847346 1133191876 /nfs/dbraw/zinc/19/18/76/1133191876.db2.gz UCAXUMBXQCMDQZ-NSHDSACASA-N 0 3 328.250 3.785 20 10 EHCDHN CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768847346 1133191881 /nfs/dbraw/zinc/19/18/81/1133191881.db2.gz UCAXUMBXQCMDQZ-NSHDSACASA-N 0 3 328.250 3.785 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000769326913 1133262533 /nfs/dbraw/zinc/26/25/33/1133262533.db2.gz QVXNRZMKIANVPA-HNNXBMFYSA-N 0 3 329.440 3.863 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000769326913 1133262534 /nfs/dbraw/zinc/26/25/34/1133262534.db2.gz QVXNRZMKIANVPA-HNNXBMFYSA-N 0 3 329.440 3.863 20 10 EHCDHN COc1ccc(C[C@@H]2CCC[N@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769394112 1133285634 /nfs/dbraw/zinc/28/56/34/1133285634.db2.gz ISNYCVXTLJFIGX-KRWDZBQOSA-N 0 3 341.451 3.864 20 10 EHCDHN COc1ccc(C[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769394112 1133285639 /nfs/dbraw/zinc/28/56/39/1133285639.db2.gz ISNYCVXTLJFIGX-KRWDZBQOSA-N 0 3 341.451 3.864 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)c([O-])c1 ZINC000769452575 1133293519 /nfs/dbraw/zinc/29/35/19/1133293519.db2.gz YCWGODLLTDITHL-IBGZPJMESA-N 0 3 340.467 3.892 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c([O-])c1 ZINC000769452575 1133293524 /nfs/dbraw/zinc/29/35/24/1133293524.db2.gz YCWGODLLTDITHL-IBGZPJMESA-N 0 3 340.467 3.892 20 10 EHCDHN COc1ccc(C[C@H](C)C[N@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000769519246 1133308234 /nfs/dbraw/zinc/30/82/34/1133308234.db2.gz MVWSDOWJPPDSIL-HNNXBMFYSA-N 0 3 329.440 3.720 20 10 EHCDHN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2c([O-])cccc2OC)cc1 ZINC000769519246 1133308236 /nfs/dbraw/zinc/30/82/36/1133308236.db2.gz MVWSDOWJPPDSIL-HNNXBMFYSA-N 0 3 329.440 3.720 20 10 EHCDHN CCOc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000769708901 1133333817 /nfs/dbraw/zinc/33/38/17/1133333817.db2.gz GHYLQCCYIXXGPO-UHFFFAOYSA-N 0 3 349.471 3.781 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235549 1133349045 /nfs/dbraw/zinc/34/90/45/1133349045.db2.gz YRXWSSCTHFYURZ-DOTOQJQBSA-N 0 3 348.487 3.826 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235549 1133349052 /nfs/dbraw/zinc/34/90/52/1133349052.db2.gz YRXWSSCTHFYURZ-DOTOQJQBSA-N 0 3 348.487 3.826 20 10 EHCDHN CC[N@H+](Cc1cccc(Br)c1)Cc1ccc(O)cc1[O-] ZINC001204281513 1133418573 /nfs/dbraw/zinc/41/85/73/1133418573.db2.gz SZAYCHBKBCYDTJ-UHFFFAOYSA-N 0 3 336.229 3.882 20 10 EHCDHN CC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(O)cc1[O-] ZINC001204281513 1133418576 /nfs/dbraw/zinc/41/85/76/1133418576.db2.gz SZAYCHBKBCYDTJ-UHFFFAOYSA-N 0 3 336.229 3.882 20 10 EHCDHN C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccccc1[O-] ZINC000770508760 1133436308 /nfs/dbraw/zinc/43/63/08/1133436308.db2.gz GZOMOJFJYXTEIC-UHFFFAOYSA-N 0 3 339.414 3.986 20 10 EHCDHN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccccc1[O-] ZINC000770508760 1133436311 /nfs/dbraw/zinc/43/63/11/1133436311.db2.gz GZOMOJFJYXTEIC-UHFFFAOYSA-N 0 3 339.414 3.986 20 10 EHCDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000771376318 1133546617 /nfs/dbraw/zinc/54/66/17/1133546617.db2.gz WMBZTDQKZIGZCF-WMZOPIPTSA-N 0 3 339.483 3.947 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cc(F)ccc1F ZINC000774480342 1133686956 /nfs/dbraw/zinc/68/69/56/1133686956.db2.gz AIIMZWFTYSPTAK-QWHCGFSZSA-N 0 3 347.409 3.709 20 10 EHCDHN CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774483447 1133687848 /nfs/dbraw/zinc/68/78/48/1133687848.db2.gz KUUWLLDTWZNXES-JKSUJKDBSA-N 0 3 339.483 3.993 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000785567638 1133727988 /nfs/dbraw/zinc/72/79/88/1133727988.db2.gz GGILRPVKSGJVHP-GUYCJALGSA-N 0 3 334.435 3.506 20 10 EHCDHN CSC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC001183270657 1133788056 /nfs/dbraw/zinc/78/80/56/1133788056.db2.gz XNLOSLLDXYZXAI-UHFFFAOYSA-N 0 3 330.291 3.791 20 10 EHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1ccccc1[O-] ZINC001183354404 1133792856 /nfs/dbraw/zinc/79/28/56/1133792856.db2.gz ATXFRJUCLSEGLU-UHOFOFEASA-N 0 3 334.460 3.735 20 10 EHCDHN CC(C)c1ccc(O)c(CNCc2cc(C(F)(F)F)nn2C)c1 ZINC001183739735 1133851508 /nfs/dbraw/zinc/85/15/08/1133851508.db2.gz LYIJVMXJZVTPCM-UHFFFAOYSA-N 0 3 327.350 3.558 20 10 EHCDHN CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775201202 1134511392 /nfs/dbraw/zinc/51/13/92/1134511392.db2.gz CMGGKYZTFVEGKR-QGZVFWFLSA-N 0 3 327.852 3.835 20 10 EHCDHN CCC[C@]1(COC)CCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775201202 1134511397 /nfs/dbraw/zinc/51/13/97/1134511397.db2.gz CMGGKYZTFVEGKR-QGZVFWFLSA-N 0 3 327.852 3.835 20 10 EHCDHN C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1Cc1ccccc1[O-] ZINC000775203110 1134516639 /nfs/dbraw/zinc/51/66/39/1134516639.db2.gz JVZDKTXSWQUZPS-INIZCTEOSA-N 0 3 333.435 3.651 20 10 EHCDHN C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccccc1[O-] ZINC000775203110 1134516643 /nfs/dbraw/zinc/51/66/43/1134516643.db2.gz JVZDKTXSWQUZPS-INIZCTEOSA-N 0 3 333.435 3.651 20 10 EHCDHN CCCN(CCC)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000792185129 1134665558 /nfs/dbraw/zinc/66/55/58/1134665558.db2.gz HSPKHKNGPWLPKZ-HXUWFJFHSA-N 0 3 343.515 3.510 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(-c3ccccc3)nc2)c1 ZINC000775369445 1134672389 /nfs/dbraw/zinc/67/23/89/1134672389.db2.gz CQZUOXRXSUDYLK-CQSZACIVSA-N 0 3 335.407 3.709 20 10 EHCDHN CCOC[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792834361 1134798697 /nfs/dbraw/zinc/79/86/97/1134798697.db2.gz HRFHDURRRIYNFR-CYBMUJFWSA-N 0 3 330.394 3.630 20 10 EHCDHN CCOc1ccc(O)c(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000793614204 1134972994 /nfs/dbraw/zinc/97/29/94/1134972994.db2.gz OSSPXGAZCSSJSS-LSDHHAIUSA-N 0 3 330.255 3.807 20 10 EHCDHN CC[C@H]([NH2+]CC1(N2CCC(OC)CC2)CCCC1)c1ccccc1[O-] ZINC000775503705 1134973076 /nfs/dbraw/zinc/97/30/76/1134973076.db2.gz MZPNJRCFXWIKPA-IBGZPJMESA-N 0 3 346.515 3.857 20 10 EHCDHN CN1CC[C@]2(CC[N@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)C1 ZINC000793767091 1134986742 /nfs/dbraw/zinc/98/67/42/1134986742.db2.gz NLSBACKJBBPKKL-NRFANRHFSA-N 0 3 336.435 3.819 20 10 EHCDHN CN1CC[C@]2(CC[N@@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)C1 ZINC000793767091 1134986744 /nfs/dbraw/zinc/98/67/44/1134986744.db2.gz NLSBACKJBBPKKL-NRFANRHFSA-N 0 3 336.435 3.819 20 10 EHCDHN CC[C@@H]([NH2+]CCCOc1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000775525865 1135011061 /nfs/dbraw/zinc/01/10/61/1135011061.db2.gz GIZKDGLEVKUPSM-LJQANCHMSA-N 0 3 345.439 3.919 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000775739183 1135596922 /nfs/dbraw/zinc/59/69/22/1135596922.db2.gz MJXJLNZTSKVEAU-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000775739183 1135596927 /nfs/dbraw/zinc/59/69/27/1135596927.db2.gz MJXJLNZTSKVEAU-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000775739183 1135596931 /nfs/dbraw/zinc/59/69/31/1135596931.db2.gz MJXJLNZTSKVEAU-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000775739183 1135596935 /nfs/dbraw/zinc/59/69/35/1135596935.db2.gz MJXJLNZTSKVEAU-SJKOYZFVSA-N 0 3 338.854 3.633 20 10 EHCDHN CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808680911 1135709772 /nfs/dbraw/zinc/70/97/72/1135709772.db2.gz PXXPNPDIHJWSJU-GFCCVEGCSA-N 0 3 332.831 3.564 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)c1[O-] ZINC000808690168 1135711224 /nfs/dbraw/zinc/71/12/24/1135711224.db2.gz AWUABFDFSCCHIS-CYBMUJFWSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOC2CCOCC2)c1[O-] ZINC000808707623 1135716679 /nfs/dbraw/zinc/71/66/79/1135716679.db2.gz UBMSTVQYXWGHLX-ZDUSSCGKSA-N 0 3 327.852 3.590 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000808710066 1135718562 /nfs/dbraw/zinc/71/85/62/1135718562.db2.gz LKGQKVXFXUYRMP-OCCSQVGLSA-N 0 3 325.836 3.690 20 10 EHCDHN Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716038 1135719499 /nfs/dbraw/zinc/71/94/99/1135719499.db2.gz QLKRGDBNHHRGET-PBHICJAKSA-N 0 3 333.859 3.917 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1[O-] ZINC000808715256 1135719582 /nfs/dbraw/zinc/71/95/82/1135719582.db2.gz CBINQRZBXWJRCG-SECBINFHSA-N 0 3 343.748 3.922 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1[O-] ZINC000808715189 1135719867 /nfs/dbraw/zinc/71/98/67/1135719867.db2.gz BGCLDIKOHVHEFU-LSDHHAIUSA-N 0 3 340.895 3.506 20 10 EHCDHN Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808714999 1135720180 /nfs/dbraw/zinc/72/01/80/1135720180.db2.gz GKSWWTGDTRVDDQ-YOEHRIQHSA-N 0 3 333.859 3.917 20 10 EHCDHN CCOc1ccc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c([O-])c1 ZINC000809775002 1135881974 /nfs/dbraw/zinc/88/19/74/1135881974.db2.gz WWQHKGDAXCEUMW-SJORKVTESA-N 0 3 343.467 3.777 20 10 EHCDHN CCOc1ccc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c([O-])c1 ZINC000809775002 1135881977 /nfs/dbraw/zinc/88/19/77/1135881977.db2.gz WWQHKGDAXCEUMW-SJORKVTESA-N 0 3 343.467 3.777 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000810164036 1135933594 /nfs/dbraw/zinc/93/35/94/1135933594.db2.gz ROKJRQSCDIRHNV-UHFFFAOYSA-N 0 3 345.240 3.968 20 10 EHCDHN CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000811512782 1136103334 /nfs/dbraw/zinc/10/33/34/1136103334.db2.gz SCUDDVXKYMJIRE-KRWDZBQOSA-N 0 3 342.483 3.790 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC000811778248 1136134166 /nfs/dbraw/zinc/13/41/66/1136134166.db2.gz JFNAQOFFFHDTEM-GFCCVEGCSA-N 0 3 349.377 3.809 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC000811778248 1136134169 /nfs/dbraw/zinc/13/41/69/1136134169.db2.gz JFNAQOFFFHDTEM-GFCCVEGCSA-N 0 3 349.377 3.809 20 10 EHCDHN Cc1c(Br)cncc1CNCc1ccc(N(C)C)cc1 ZINC000850011234 1136199021 /nfs/dbraw/zinc/19/90/21/1136199021.db2.gz MMIIHFJQBDUEQK-UHFFFAOYSA-N 0 3 334.261 3.508 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)c2c1c(F)ccc2[O-] ZINC000812735483 1136239359 /nfs/dbraw/zinc/23/93/59/1136239359.db2.gz SKUZKFATSZUTPU-NHYWBVRUSA-N 0 3 325.387 3.756 20 10 EHCDHN OC1CCN(c2ccc(CNCc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000850405804 1136251273 /nfs/dbraw/zinc/25/12/73/1136251273.db2.gz FNEFZPCYNGWAKY-UHFFFAOYSA-N 0 3 348.849 3.730 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(OC)cc3F)C2)cc1 ZINC000850488574 1136269468 /nfs/dbraw/zinc/26/94/68/1136269468.db2.gz NISCTVKDZUYFNH-HUUCEWRRSA-N 0 3 344.430 3.772 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CCC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850552724 1136283919 /nfs/dbraw/zinc/28/39/19/1136283919.db2.gz XTABWIRKOQJMJN-IAQYHMDHSA-N 0 3 329.419 3.870 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)nc1 ZINC000850566693 1136287317 /nfs/dbraw/zinc/28/73/17/1136287317.db2.gz QWQOSJNQAADSTI-CQSZACIVSA-N 0 3 345.874 3.547 20 10 EHCDHN CCOc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000813792373 1136362807 /nfs/dbraw/zinc/36/28/07/1136362807.db2.gz XUOKDDHRPAWVQL-UHFFFAOYSA-N 0 3 330.384 3.724 20 10 EHCDHN CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000813792373 1136362811 /nfs/dbraw/zinc/36/28/11/1136362811.db2.gz XUOKDDHRPAWVQL-UHFFFAOYSA-N 0 3 330.384 3.724 20 10 EHCDHN C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000814169699 1136414997 /nfs/dbraw/zinc/41/49/97/1136414997.db2.gz MAFGPPWDMNIRPZ-CYBMUJFWSA-N 0 3 340.439 3.704 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC4(CCC4)OC[C@H]3C)c2c1 ZINC000853542024 1136542806 /nfs/dbraw/zinc/54/28/06/1136542806.db2.gz KSKPSMZNLBQLSJ-CQSZACIVSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC4(CCC4)OC[C@H]3C)c2c1 ZINC000853542024 1136542808 /nfs/dbraw/zinc/54/28/08/1136542808.db2.gz KSKPSMZNLBQLSJ-CQSZACIVSA-N 0 3 327.424 3.697 20 10 EHCDHN COC(=O)[C@@H](C)[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815073245 1136547460 /nfs/dbraw/zinc/54/74/60/1136547460.db2.gz YVQRDDFAETUANL-JXFKEZNVSA-N 0 3 340.467 3.701 20 10 EHCDHN CC[C@@H]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882844 1136559564 /nfs/dbraw/zinc/55/95/64/1136559564.db2.gz VUMKQNFODWEETC-AHRSYUTCSA-N 0 3 345.531 3.688 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1(CO)CCC1 ZINC000815616324 1136619416 /nfs/dbraw/zinc/61/94/16/1136619416.db2.gz LOZXFTJIZGOOSQ-LJQANCHMSA-N 0 3 325.452 3.818 20 10 EHCDHN COc1cc(Cl)cc(CN2CCN(C)Cc3ccccc32)c1O ZINC000816617592 1136741627 /nfs/dbraw/zinc/74/16/27/1136741627.db2.gz DHFZPEOLLORFGY-UHFFFAOYSA-N 0 3 332.831 3.506 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3nc(C)sc3C)C2)cc1 ZINC000818342794 1136872482 /nfs/dbraw/zinc/87/24/82/1136872482.db2.gz VRGYBDULCIFITR-XJKSGUPXSA-N 0 3 345.512 3.946 20 10 EHCDHN CC[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858448864 1136968780 /nfs/dbraw/zinc/96/87/80/1136968780.db2.gz SNKVALGAESBRSE-HOTGVXAUSA-N 0 3 340.393 3.793 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC2(F)F)c1[O-] ZINC000824799659 1137152719 /nfs/dbraw/zinc/15/27/19/1137152719.db2.gz QBUFAEUGIOCLIW-NSHDSACASA-N 0 3 334.204 3.988 20 10 EHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1C ZINC000824815692 1137153568 /nfs/dbraw/zinc/15/35/68/1137153568.db2.gz WYSJJCDQRHAGSZ-HRAATJIYSA-N 0 3 341.451 3.828 20 10 EHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1C ZINC000824815692 1137153570 /nfs/dbraw/zinc/15/35/70/1137153570.db2.gz WYSJJCDQRHAGSZ-HRAATJIYSA-N 0 3 341.451 3.828 20 10 EHCDHN COC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000825321995 1137172873 /nfs/dbraw/zinc/17/28/73/1137172873.db2.gz UJZHVNINXJGTDX-ZDUSSCGKSA-N 0 3 342.277 3.712 20 10 EHCDHN COC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000825321995 1137172874 /nfs/dbraw/zinc/17/28/74/1137172874.db2.gz UJZHVNINXJGTDX-ZDUSSCGKSA-N 0 3 342.277 3.712 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c([O-])c1 ZINC000825311278 1137174097 /nfs/dbraw/zinc/17/40/97/1137174097.db2.gz HZCRITYOHKCSKA-SFHVURJKSA-N 0 3 347.480 3.846 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794793673 1137253077 /nfs/dbraw/zinc/25/30/77/1137253077.db2.gz ADGGFUVJKLZUHW-KRWDZBQOSA-N 0 3 332.488 3.778 20 10 EHCDHN CC[C@H](NCc1nc2cc(F)ccc2n1C)c1ccc(C)cc1O ZINC000794809266 1137261692 /nfs/dbraw/zinc/26/16/92/1137261692.db2.gz FIKLMQQVYLDMQE-HNNXBMFYSA-N 0 3 327.403 3.967 20 10 EHCDHN Cc1scc(CNCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000865417652 1137281817 /nfs/dbraw/zinc/28/18/17/1137281817.db2.gz ACIBKRTUUZILDU-UHFFFAOYSA-N 0 3 334.460 3.630 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846009462 1137325499 /nfs/dbraw/zinc/32/54/99/1137325499.db2.gz ACJULKNUMDGNIW-IBGZPJMESA-N 0 3 347.842 3.538 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846009462 1137325501 /nfs/dbraw/zinc/32/55/01/1137325501.db2.gz ACJULKNUMDGNIW-IBGZPJMESA-N 0 3 347.842 3.538 20 10 EHCDHN C[C@@H](CO)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000846058434 1137327441 /nfs/dbraw/zinc/32/74/41/1137327441.db2.gz OVTYZANJRWNNOM-INIZCTEOSA-N 0 3 325.452 3.900 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCOC3)c2c1c(F)ccc2[O-] ZINC000866478558 1137358060 /nfs/dbraw/zinc/35/80/60/1137358060.db2.gz IYTRLWGTTYKYMB-PXAZEXFGSA-N 0 3 327.399 3.942 20 10 EHCDHN CC(C)(C)OC(=O)C1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001171931200 1137521455 /nfs/dbraw/zinc/52/14/55/1137521455.db2.gz YNBPNGXJZDRIDE-UHFFFAOYSA-N 0 3 331.456 3.651 20 10 EHCDHN CC(C)(C)OC(=O)C1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001171931200 1137521456 /nfs/dbraw/zinc/52/14/56/1137521456.db2.gz YNBPNGXJZDRIDE-UHFFFAOYSA-N 0 3 331.456 3.651 20 10 EHCDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1[O-])C2 ZINC001172080061 1137530982 /nfs/dbraw/zinc/53/09/82/1137530982.db2.gz MACRUBPKKNXKBK-BJWYYQGGSA-N 0 3 346.471 3.802 20 10 EHCDHN CCCOc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1C ZINC000873127774 1137590800 /nfs/dbraw/zinc/59/08/00/1137590800.db2.gz WECFXRQBRSIVIB-XMMPIXPASA-N 0 3 345.508 3.952 20 10 EHCDHN Cc1cccc(O)c1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000876531274 1137654729 /nfs/dbraw/zinc/65/47/29/1137654729.db2.gz AWENODLQWSMJBQ-QGZVFWFLSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1cccc(O)c1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000876531274 1137654730 /nfs/dbraw/zinc/65/47/30/1137654730.db2.gz AWENODLQWSMJBQ-QGZVFWFLSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000876795864 1137661544 /nfs/dbraw/zinc/66/15/44/1137661544.db2.gz WBHHOIOLBGTHSV-UHFFFAOYSA-N 0 3 348.487 3.968 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000876795864 1137661545 /nfs/dbraw/zinc/66/15/45/1137661545.db2.gz WBHHOIOLBGTHSV-UHFFFAOYSA-N 0 3 348.487 3.968 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000876988403 1137666974 /nfs/dbraw/zinc/66/69/74/1137666974.db2.gz FHUAPYQDTBJEBW-INIZCTEOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c([O-])c1 ZINC000876989558 1137667155 /nfs/dbraw/zinc/66/71/55/1137667155.db2.gz XYKIXSDXYYPKAY-MRXNPFEDSA-N 0 3 325.330 3.543 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(Br)c(C)s2)c([O-])c1 ZINC000877494123 1137678446 /nfs/dbraw/zinc/67/84/46/1137678446.db2.gz SXWKJBTWSIOVGQ-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN COc1ccc(CNCc2cccc(F)c2OC(F)(F)F)c(O)c1 ZINC000877493357 1137678349 /nfs/dbraw/zinc/67/83/49/1137678349.db2.gz KSPOHTKGNUJLHC-UHFFFAOYSA-N 0 3 345.292 3.728 20 10 EHCDHN CCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)c1cccnc1 ZINC000877529970 1137679997 /nfs/dbraw/zinc/67/99/97/1137679997.db2.gz ARRGWOOCDAAVQA-KRWDZBQOSA-N 0 3 339.483 3.626 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000877756257 1137688428 /nfs/dbraw/zinc/68/84/28/1137688428.db2.gz CHBGSXNUIHPXAB-MRXNPFEDSA-N 0 3 342.458 3.889 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000879649477 1137753546 /nfs/dbraw/zinc/75/35/46/1137753546.db2.gz UKJCSCRDUMSSJY-DOMZBBRYSA-N 0 3 339.357 3.665 20 10 EHCDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1O ZINC000879648680 1137753573 /nfs/dbraw/zinc/75/35/73/1137753573.db2.gz ZCMMMXPPCIRGBU-CYBMUJFWSA-N 0 3 330.384 3.938 20 10 EHCDHN CCC[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879651612 1137753763 /nfs/dbraw/zinc/75/37/63/1137753763.db2.gz DBPILAQPBYNFAS-MAUKXSAKSA-N 0 3 326.440 3.700 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000879650862 1137753871 /nfs/dbraw/zinc/75/38/71/1137753871.db2.gz UKJCSCRDUMSSJY-SWLSCSKDSA-N 0 3 339.357 3.665 20 10 EHCDHN CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651830 1137753988 /nfs/dbraw/zinc/75/39/88/1137753988.db2.gz LWKMLHRAKFYRNJ-QWHCGFSZSA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879651872 1137754046 /nfs/dbraw/zinc/75/40/46/1137754046.db2.gz NRVDERJPKFMZDH-JJRVBVJISA-N 0 3 349.858 3.835 20 10 EHCDHN CCOc1ccc(N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC001137179060 1137830150 /nfs/dbraw/zinc/83/01/50/1137830150.db2.gz IYMYNULBXHSNOD-UHFFFAOYSA-N 0 3 347.462 3.956 20 10 EHCDHN CCc1cc(CN2CCOC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000131264796 1137849576 /nfs/dbraw/zinc/84/95/76/1137849576.db2.gz ZGXUOJOEZNHDGH-UHFFFAOYSA-N 0 3 347.499 3.634 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000126807390 1138339312 /nfs/dbraw/zinc/33/93/12/1138339312.db2.gz QXBLJZIFQAGBDX-MRXNPFEDSA-N 0 3 326.488 3.845 20 10 EHCDHN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263707743 1138346659 /nfs/dbraw/zinc/34/66/59/1138346659.db2.gz SUWUAUVHXUVECG-LJQANCHMSA-N 0 3 333.435 3.960 20 10 EHCDHN COc1cc(O)c(CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000179661250 1139772230 /nfs/dbraw/zinc/77/22/30/1139772230.db2.gz BHPDGYIJZOJPNY-NSHDSACASA-N 0 3 337.366 3.881 20 10 EHCDHN COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183472627 1140040096 /nfs/dbraw/zinc/04/00/96/1140040096.db2.gz CADJPALCKHZNOV-HNNXBMFYSA-N 0 3 326.440 3.720 20 10 EHCDHN CSc1nnc(CCC[NH2+][C@@H](C)c2ccccc2[O-])n1CC(C)C ZINC000183512084 1140044254 /nfs/dbraw/zinc/04/42/54/1140044254.db2.gz OYAAGOMCFURJKZ-AWEZNQCLSA-N 0 3 348.516 3.645 20 10 EHCDHN Cc1ccc([C@H](C)NCc2cccnc2OCC(F)(F)F)c(O)c1 ZINC000184984928 1140129628 /nfs/dbraw/zinc/12/96/28/1140129628.db2.gz RFXUWNQJVABTLE-LBPRGKRZSA-N 0 3 340.345 3.888 20 10 EHCDHN C[C@H](NCc1ccc(N(C)C)nc1)c1ccc(N2CCCCC2)cc1 ZINC000268779437 1140990042 /nfs/dbraw/zinc/99/00/42/1140990042.db2.gz SOSLWVHTGMVIFD-KRWDZBQOSA-N 0 3 338.499 3.989 20 10 EHCDHN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000268795077 1140993897 /nfs/dbraw/zinc/99/38/97/1140993897.db2.gz WKRFFKWRXCMGLF-KRWDZBQOSA-N 0 3 338.499 3.989 20 10 EHCDHN C[C@H](OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618397 1141127172 /nfs/dbraw/zinc/12/71/72/1141127172.db2.gz HIMVCSPJNHIHHR-KSSFIOAISA-N 0 3 349.858 3.616 20 10 EHCDHN C[C@H](OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618397 1141127176 /nfs/dbraw/zinc/12/71/76/1141127176.db2.gz HIMVCSPJNHIHHR-KSSFIOAISA-N 0 3 349.858 3.616 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000271274381 1141337217 /nfs/dbraw/zinc/33/72/17/1141337217.db2.gz OCMHJFSYIQEWHQ-VQIMIIECSA-N 0 3 345.439 3.862 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000271274381 1141337222 /nfs/dbraw/zinc/33/72/22/1141337222.db2.gz OCMHJFSYIQEWHQ-VQIMIIECSA-N 0 3 345.439 3.862 20 10 EHCDHN COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])CCO2 ZINC000274469727 1141538334 /nfs/dbraw/zinc/53/83/34/1141538334.db2.gz YFQDJQUVMYNUOO-INIZCTEOSA-N 0 3 333.815 3.976 20 10 EHCDHN COc1ccc2c(c1)[C@@H](NCc1cc(Cl)cc(C)c1O)CCO2 ZINC000274469727 1141538339 /nfs/dbraw/zinc/53/83/39/1141538339.db2.gz YFQDJQUVMYNUOO-INIZCTEOSA-N 0 3 333.815 3.976 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(Br)ccc1[O-] ZINC000037644086 522866768 /nfs/dbraw/zinc/86/67/68/522866768.db2.gz RHZLUOHKCQRDTP-IUODEOHRSA-N 0 3 341.293 3.537 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000155348309 1016534183 /nfs/dbraw/zinc/53/41/83/1016534183.db2.gz KDWCUUPTMAJKHR-DYVFJYSZSA-N 0 3 333.453 3.598 20 10 EHCDHN C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000760446064 1032961789 /nfs/dbraw/zinc/96/17/89/1032961789.db2.gz RFXSATPODCVJPQ-AWEZNQCLSA-N 0 3 328.416 3.764 20 10 EHCDHN CC[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccccc1[O-] ZINC000156633353 1024264774 /nfs/dbraw/zinc/26/47/74/1024264774.db2.gz XMDQWGLTJPIBLH-HNNXBMFYSA-N 0 3 327.403 3.701 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1[O-] ZINC000895821896 1024874689 /nfs/dbraw/zinc/87/46/89/1024874689.db2.gz LCGRCQXDXCVJJE-KRWDZBQOSA-N 0 3 339.863 3.883 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C)cc1C ZINC000727830752 1025221186 /nfs/dbraw/zinc/22/11/86/1025221186.db2.gz LXPNKJKZTFFFQJ-LJQANCHMSA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C)cc1C ZINC000727830752 1025221194 /nfs/dbraw/zinc/22/11/94/1025221194.db2.gz LXPNKJKZTFFFQJ-LJQANCHMSA-N 0 3 343.467 3.661 20 10 EHCDHN CO[C@]12CCC[C@@]1([NH2+]Cc1cc(-c3ccccc3)ccc1[O-])CCO2 ZINC000896413534 1025419294 /nfs/dbraw/zinc/41/92/94/1025419294.db2.gz RAGBQSPPERZWLO-RTWAWAEBSA-N 0 3 339.435 3.835 20 10 EHCDHN COc1cccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348262 1027388535 /nfs/dbraw/zinc/38/85/35/1027388535.db2.gz AMGXVOWGDKKHMQ-IEBWSBKVSA-N 0 3 345.414 3.892 20 10 EHCDHN COc1cccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273348262 1027388547 /nfs/dbraw/zinc/38/85/47/1027388547.db2.gz AMGXVOWGDKKHMQ-IEBWSBKVSA-N 0 3 345.414 3.892 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437293 1027423952 /nfs/dbraw/zinc/42/39/52/1027423952.db2.gz MFXWBSKPSJTHEW-SOUVJXGZSA-N 0 3 347.459 3.604 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1C ZINC000174375057 1033910068 /nfs/dbraw/zinc/91/00/68/1033910068.db2.gz GNCUZMOZORGZHK-MRXNPFEDSA-N 0 3 326.440 3.940 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCc2ccc3ccccc3n2)c1[O-] ZINC000761198009 1034383847 /nfs/dbraw/zinc/38/38/47/1034383847.db2.gz MJEYLIVYMLAEQH-UHFFFAOYSA-N 0 3 342.826 3.935 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)CCOCc2ccccc2)c1[O-] ZINC000761204891 1034433699 /nfs/dbraw/zinc/43/36/99/1034433699.db2.gz OVKUJJQXACDIQU-UHFFFAOYSA-N 0 3 335.831 3.703 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCOCc2ccccc2)c1[O-] ZINC000761204891 1034433708 /nfs/dbraw/zinc/43/37/08/1034433708.db2.gz OVKUJJQXACDIQU-UHFFFAOYSA-N 0 3 335.831 3.703 20 10 EHCDHN COc1ccc(CN[C@H]2CCSc3ccc(F)cc32)c(O)c1OC ZINC000892475509 1034554197 /nfs/dbraw/zinc/55/41/97/1034554197.db2.gz JVZRMSZOZCHKFN-AWEZNQCLSA-N 0 3 349.427 3.875 20 10 EHCDHN CCC(CC)[C@@H](CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OC ZINC000761215305 1034581821 /nfs/dbraw/zinc/58/18/21/1034581821.db2.gz JUEXOPSFPCKNOW-OAHLLOKOSA-N 0 3 329.868 3.985 20 10 EHCDHN C[C@H]1C[C@H](NCc2nn(C)c3ccccc23)c2c1c(F)ccc2O ZINC000760898210 1037692156 /nfs/dbraw/zinc/69/21/56/1037692156.db2.gz PCTYLLLMXDSERS-FZMZJTMJSA-N 0 3 325.387 3.756 20 10 EHCDHN CC[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O ZINC000157596844 1037764562 /nfs/dbraw/zinc/76/45/62/1037764562.db2.gz WZLVMXQDHISUET-IBGZPJMESA-N 0 3 325.456 3.707 20 10 EHCDHN C[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000185326867 1039076468 /nfs/dbraw/zinc/07/64/68/1039076468.db2.gz CRVBFAYMRYVHMV-BDJLRTHQSA-N 0 3 343.320 3.632 20 10 EHCDHN COc1nc(C)cc(C)c1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756531909 1040028326 /nfs/dbraw/zinc/02/83/26/1040028326.db2.gz BPJLWNHRTHJCFB-XHDPSFHLSA-N 0 3 330.403 3.890 20 10 EHCDHN COc1nc(C)cc(C)c1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756531909 1040028342 /nfs/dbraw/zinc/02/83/42/1040028342.db2.gz BPJLWNHRTHJCFB-XHDPSFHLSA-N 0 3 330.403 3.890 20 10 EHCDHN CN(C)c1ccc(CN(C)Cc2cn(C)nc2-c2ccccc2)cc1 ZINC000183376308 1125542642 /nfs/dbraw/zinc/54/26/42/1125542642.db2.gz UFFQWENGRGIYFZ-UHFFFAOYSA-N 0 3 334.467 3.785 20 10 EHCDHN C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000185019178 1126739712 /nfs/dbraw/zinc/73/97/12/1126739712.db2.gz LRDOGKWANHYATG-JTQLQIEISA-N 0 3 344.308 3.718 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185455888 1126903898 /nfs/dbraw/zinc/90/38/98/1126903898.db2.gz LYCSHZDMTIXSCQ-LSDHHAIUSA-N 0 3 334.460 3.751 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1cc(F)ccc1[O-] ZINC000185459123 1126904425 /nfs/dbraw/zinc/90/44/25/1126904425.db2.gz KEOHSRZJDICJCH-BDJLRTHQSA-N 0 3 338.373 3.763 20 10 EHCDHN C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000186021219 1127235578 /nfs/dbraw/zinc/23/55/78/1127235578.db2.gz QZMDMSASBKITJL-AWEZNQCLSA-N 0 3 342.414 3.551 20 10 EHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(F)F ZINC000765713989 1127733863 /nfs/dbraw/zinc/73/38/63/1127733863.db2.gz DUPWXQXKZZPMFM-HNNXBMFYSA-N 0 3 334.410 3.707 20 10 EHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(F)F ZINC000765713989 1127733867 /nfs/dbraw/zinc/73/38/67/1127733867.db2.gz DUPWXQXKZZPMFM-HNNXBMFYSA-N 0 3 334.410 3.707 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc([S@@](C)=O)cc1 ZINC000921931264 1128933891 /nfs/dbraw/zinc/93/38/91/1128933891.db2.gz DLOPOBXGAXMVNN-LFVRLGFBSA-N 0 3 329.465 3.600 20 10 EHCDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763083422 1121677124 /nfs/dbraw/zinc/67/71/24/1121677124.db2.gz HIXCMODCCUZIRO-LSDHHAIUSA-N 0 3 340.427 3.647 20 10 EHCDHN COC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)oc1C ZINC000917074640 1122471297 /nfs/dbraw/zinc/47/12/97/1122471297.db2.gz DWQIFALMQMUNGG-UHFFFAOYSA-N 0 3 344.455 3.851 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)c2c1 ZINC000917471971 1122615905 /nfs/dbraw/zinc/61/59/05/1122615905.db2.gz FSJRVJRELLOLQC-UYAOXDASSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)c2c1 ZINC000917471971 1122615906 /nfs/dbraw/zinc/61/59/06/1122615906.db2.gz FSJRVJRELLOLQC-UYAOXDASSA-N 0 3 327.424 3.697 20 10 EHCDHN CN(C)c1ccc(CN(C)Cc2c[nH]nc2-c2cccs2)cc1 ZINC000155183254 1123290531 /nfs/dbraw/zinc/29/05/31/1123290531.db2.gz XPIHCQAFXSHKQR-UHFFFAOYSA-N 0 3 326.469 3.836 20 10 EHCDHN Cc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000237805335 1123866165 /nfs/dbraw/zinc/86/61/65/1123866165.db2.gz HDBHZOGREVTMQA-AWEZNQCLSA-N 0 3 336.382 3.948 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000180275022 1123975175 /nfs/dbraw/zinc/97/51/75/1123975175.db2.gz NSLMDRPPXAJWDW-PKOBYXMFSA-N 0 3 333.378 3.759 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000180275022 1123975177 /nfs/dbraw/zinc/97/51/77/1123975177.db2.gz NSLMDRPPXAJWDW-PKOBYXMFSA-N 0 3 333.378 3.759 20 10 EHCDHN CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182462837 1125299203 /nfs/dbraw/zinc/29/92/03/1125299203.db2.gz NGIWYMMFNMOETD-AWEZNQCLSA-N 0 3 342.439 3.561 20 10 EHCDHN [O-]c1ccc(Cl)cc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000731448887 1130798124 /nfs/dbraw/zinc/79/81/24/1130798124.db2.gz CZWKHTPCEQAHAJ-UHFFFAOYSA-N 0 3 344.886 3.842 20 10 EHCDHN CN(C)[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000738144414 1131463245 /nfs/dbraw/zinc/46/32/45/1131463245.db2.gz POGPHGLMUZTWIW-AWEZNQCLSA-N 0 3 328.456 3.543 20 10 EHCDHN CN(C)[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000738144414 1131463247 /nfs/dbraw/zinc/46/32/47/1131463247.db2.gz POGPHGLMUZTWIW-AWEZNQCLSA-N 0 3 328.456 3.543 20 10 EHCDHN CCOc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)c([O-])c1 ZINC000742373190 1131717178 /nfs/dbraw/zinc/71/71/78/1131717178.db2.gz QZLHUPVRMFSUFL-UHFFFAOYSA-N 0 3 327.424 3.586 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921681 1131905019 /nfs/dbraw/zinc/90/50/19/1131905019.db2.gz QRAVSDXORDHYJW-QGZVFWFLSA-N 0 3 326.396 3.680 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921681 1131905023 /nfs/dbraw/zinc/90/50/23/1131905023.db2.gz QRAVSDXORDHYJW-QGZVFWFLSA-N 0 3 326.396 3.680 20 10 EHCDHN C[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073988 1131955301 /nfs/dbraw/zinc/95/53/01/1131955301.db2.gz FUUWAQBNFUKZEP-GOEBONIOSA-N 0 3 334.460 3.612 20 10 EHCDHN C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC001173073988 1131955307 /nfs/dbraw/zinc/95/53/07/1131955307.db2.gz FUUWAQBNFUKZEP-GOEBONIOSA-N 0 3 334.460 3.612 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000743870311 1131996213 /nfs/dbraw/zinc/99/62/13/1131996213.db2.gz PQCBSUCZKOTDOB-KRWDZBQOSA-N 0 3 340.467 3.618 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000743870311 1131996217 /nfs/dbraw/zinc/99/62/17/1131996217.db2.gz PQCBSUCZKOTDOB-KRWDZBQOSA-N 0 3 340.467 3.618 20 10 EHCDHN CCCCCn1cc(C[NH2+]Cc2ccc(OCC)cc2[O-])c(C)n1 ZINC000767426759 1133000518 /nfs/dbraw/zinc/00/05/18/1133000518.db2.gz MXFAZEJXQRQKSE-UHFFFAOYSA-N 0 3 331.460 3.776 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000768223255 1133114174 /nfs/dbraw/zinc/11/41/74/1133114174.db2.gz FRKQXWZACKQTGA-UHFFFAOYSA-N 0 3 337.423 3.657 20 10 EHCDHN C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439266 1133139526 /nfs/dbraw/zinc/13/95/26/1133139526.db2.gz JHYGFARUWCCFDA-JLTOFOAXSA-N 0 3 339.435 3.619 20 10 EHCDHN C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439266 1133139530 /nfs/dbraw/zinc/13/95/30/1133139530.db2.gz JHYGFARUWCCFDA-JLTOFOAXSA-N 0 3 339.435 3.619 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446489 1133140287 /nfs/dbraw/zinc/14/02/87/1133140287.db2.gz KQSPWIIGCJPCSL-MDOVXXIYSA-N 0 3 339.435 3.504 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446489 1133140290 /nfs/dbraw/zinc/14/02/90/1133140290.db2.gz KQSPWIIGCJPCSL-MDOVXXIYSA-N 0 3 339.435 3.504 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446493 1133140403 /nfs/dbraw/zinc/14/04/03/1133140403.db2.gz KQSPWIIGCJPCSL-STXHMFSFSA-N 0 3 339.435 3.504 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768446493 1133140408 /nfs/dbraw/zinc/14/04/08/1133140408.db2.gz KQSPWIIGCJPCSL-STXHMFSFSA-N 0 3 339.435 3.504 20 10 EHCDHN CCN(Cc1ccccc1)c1ccc(CNCC2(C)OCCO2)cc1 ZINC000768633320 1133163566 /nfs/dbraw/zinc/16/35/66/1133163566.db2.gz MIWUWJCNGBJIPZ-UHFFFAOYSA-N 0 3 340.467 3.566 20 10 EHCDHN CCO[C@H](CNCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC001178601055 1133184852 /nfs/dbraw/zinc/18/48/52/1133184852.db2.gz GFLIAZPIOAVPNI-LJQANCHMSA-N 0 3 334.410 3.898 20 10 EHCDHN CC(C)[C@H](O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001179244154 1133239235 /nfs/dbraw/zinc/23/92/35/1133239235.db2.gz XDJILLCMPSYDNA-SFTDATJTSA-N 0 3 325.452 3.859 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c([O-])c1 ZINC000769242882 1133243135 /nfs/dbraw/zinc/24/31/35/1133243135.db2.gz LYXRHKWGNPSCLW-CTNGQTDRSA-N 0 3 341.451 3.879 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c([O-])c1 ZINC000769242882 1133243141 /nfs/dbraw/zinc/24/31/41/1133243141.db2.gz LYXRHKWGNPSCLW-CTNGQTDRSA-N 0 3 341.451 3.879 20 10 EHCDHN CCN(CC)c1ccc(CN(C)[C@@H](CO)c2ccc(OC)cc2)cc1 ZINC000769424503 1133282785 /nfs/dbraw/zinc/28/27/85/1133282785.db2.gz FXCVLSJSODGLCQ-NRFANRHFSA-N 0 3 342.483 3.707 20 10 EHCDHN CSC[C@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769513528 1133306380 /nfs/dbraw/zinc/30/63/80/1133306380.db2.gz BAIMBNAOERHVAT-MRXNPFEDSA-N 0 3 349.500 3.913 20 10 EHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001204276224 1133400787 /nfs/dbraw/zinc/40/07/87/1133400787.db2.gz IAPICQCYIYLRNU-UHFFFAOYSA-N 0 3 333.815 3.795 20 10 EHCDHN C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1 ZINC000770505221 1133435789 /nfs/dbraw/zinc/43/57/89/1133435789.db2.gz JRWKZXHZPWREFO-HNNXBMFYSA-N 0 3 330.859 3.924 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770509764 1133435957 /nfs/dbraw/zinc/43/59/57/1133435957.db2.gz TUPBYFQXJQYBCS-GOEBONIOSA-N 0 3 334.460 3.660 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770509764 1133435961 /nfs/dbraw/zinc/43/59/61/1133435961.db2.gz TUPBYFQXJQYBCS-GOEBONIOSA-N 0 3 334.460 3.660 20 10 EHCDHN COc1cc(C)c(CNCc2sccc2Br)c(O)c1 ZINC001181315548 1133478869 /nfs/dbraw/zinc/47/88/69/1133478869.db2.gz NYZKQTXGVQGANZ-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001181764335 1133523402 /nfs/dbraw/zinc/52/34/02/1133523402.db2.gz NMWCKYBFBSXSPK-OAHLLOKOSA-N 0 3 343.437 3.688 20 10 EHCDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000771376314 1133546646 /nfs/dbraw/zinc/54/66/46/1133546646.db2.gz WMBZTDQKZIGZCF-FUHWJXTLSA-N 0 3 339.483 3.947 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c2c1c(F)ccc2[O-] ZINC000774381922 1133667710 /nfs/dbraw/zinc/66/77/10/1133667710.db2.gz CYOLVWCLNPRFOY-WCBMZHEXSA-N 0 3 339.304 3.586 20 10 EHCDHN Cc1cc(C)n(-c2ccccc2CNCc2ccc3c(c2)CCO3)n1 ZINC000152287382 1133688674 /nfs/dbraw/zinc/68/86/74/1133688674.db2.gz HRICWALUXPQVAN-UHFFFAOYSA-N 0 3 333.435 3.714 20 10 EHCDHN Cc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774485719 1133688788 /nfs/dbraw/zinc/68/87/88/1133688788.db2.gz UTLJGLNNXQLPBI-JKSUJKDBSA-N 0 3 325.456 3.739 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000785567636 1133727883 /nfs/dbraw/zinc/72/78/83/1133727883.db2.gz GGILRPVKSGJVHP-DYVFJYSZSA-N 0 3 334.435 3.506 20 10 EHCDHN Cc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000790408018 1134411862 /nfs/dbraw/zinc/41/18/62/1134411862.db2.gz SIOCSAUBSGCEFJ-MRUHUIDDSA-N 0 3 347.499 3.766 20 10 EHCDHN FC(F)Oc1cc(CNCc2ccc(N3CCCCC3)cc2)ccn1 ZINC000790633852 1134444341 /nfs/dbraw/zinc/44/43/41/1134444341.db2.gz DVQYNGFNOWTCAS-UHFFFAOYSA-N 0 3 347.409 3.963 20 10 EHCDHN CCOc1ccc(CN[C@@H]2CCOc3ccc(OCC)cc32)c(O)c1 ZINC000775345592 1134657375 /nfs/dbraw/zinc/65/73/75/1134657375.db2.gz PNUUUJDFGCZHBZ-GOSISDBHSA-N 0 3 343.423 3.803 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2CCOc3ccc(OCC)cc32)c([O-])c1 ZINC000775345592 1134657378 /nfs/dbraw/zinc/65/73/78/1134657378.db2.gz PNUUUJDFGCZHBZ-GOSISDBHSA-N 0 3 343.423 3.803 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(Cl)nc(Cl)c2)c1 ZINC000775376295 1134686056 /nfs/dbraw/zinc/68/60/56/1134686056.db2.gz SFFITBYYANMHBX-VIFPVBQESA-N 0 3 327.211 3.953 20 10 EHCDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793190718 1134871852 /nfs/dbraw/zinc/87/18/52/1134871852.db2.gz WESBPROGOJLLIO-CJNGLKHVSA-N 0 3 344.421 3.897 20 10 EHCDHN CCC[C@@H]([NH2+]Cc1ccc(OCC)cc1[O-])[C@@H](O)c1ccccc1 ZINC000793236650 1134881581 /nfs/dbraw/zinc/88/15/81/1134881581.db2.gz JNRVPMDHRUZANT-QUCCMNQESA-N 0 3 329.440 3.783 20 10 EHCDHN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793247774 1134888808 /nfs/dbraw/zinc/88/88/08/1134888808.db2.gz SURZQROPAIHUQA-HDICACEKSA-N 0 3 342.870 3.609 20 10 EHCDHN [O-]c1c(Cl)cccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793247774 1134888815 /nfs/dbraw/zinc/88/88/15/1134888815.db2.gz SURZQROPAIHUQA-HDICACEKSA-N 0 3 342.870 3.609 20 10 EHCDHN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793247774 1134888817 /nfs/dbraw/zinc/88/88/17/1134888817.db2.gz SURZQROPAIHUQA-HDICACEKSA-N 0 3 342.870 3.609 20 10 EHCDHN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793247774 1134888820 /nfs/dbraw/zinc/88/88/20/1134888820.db2.gz SURZQROPAIHUQA-HDICACEKSA-N 0 3 342.870 3.609 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C)C2)c1[O-] ZINC000793347077 1134903143 /nfs/dbraw/zinc/90/31/43/1134903143.db2.gz PFKNRVUXRUEVDN-QWRGUYRKSA-N 0 3 328.250 3.689 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)c2c1c(F)ccc2[O-] ZINC000793565233 1134958484 /nfs/dbraw/zinc/95/84/84/1134958484.db2.gz HCWDTHPLRYISND-SKDRFNHKSA-N 0 3 338.329 3.866 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775498754 1134965098 /nfs/dbraw/zinc/96/50/98/1134965098.db2.gz NPJSKZHYHZFVSV-BEFAXECRSA-N 0 3 326.440 3.720 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1cccc(Cl)c1 ZINC000805742591 1135323905 /nfs/dbraw/zinc/32/39/05/1135323905.db2.gz OAGZFUYWNNMUIH-SFHVURJKSA-N 0 3 333.859 3.861 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1cccc(Cl)c1 ZINC000805742591 1135323910 /nfs/dbraw/zinc/32/39/10/1135323910.db2.gz OAGZFUYWNNMUIH-SFHVURJKSA-N 0 3 333.859 3.861 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)CCOCc2ccccc2)c([O-])c1 ZINC000808433148 1135674898 /nfs/dbraw/zinc/67/48/98/1135674898.db2.gz CSMODQZOCKLCJN-INIZCTEOSA-N 0 3 329.440 3.876 20 10 EHCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808681210 1135710678 /nfs/dbraw/zinc/71/06/78/1135710678.db2.gz WVQSKBSWLUNKEG-HOCLYGCPSA-N 0 3 349.858 3.753 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c1[O-] ZINC000808688684 1135711335 /nfs/dbraw/zinc/71/13/35/1135711335.db2.gz UUTGAZRLBPHVQZ-AWEZNQCLSA-N 0 3 346.858 3.711 20 10 EHCDHN CSC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000808706078 1135716490 /nfs/dbraw/zinc/71/64/90/1135716490.db2.gz CVTNJZGFLYGQPF-LBPRGKRZSA-N 0 3 329.893 3.917 20 10 EHCDHN CO[C@H](CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808716552 1135720028 /nfs/dbraw/zinc/72/00/28/1135720028.db2.gz YUNBEMITNNLLME-JOYOIKCWSA-N 0 3 325.758 3.972 20 10 EHCDHN C[C@@H](NCC(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775834543 1135798186 /nfs/dbraw/zinc/79/81/86/1135798186.db2.gz UXHGYQNZTXYTIN-CYBMUJFWSA-N 0 3 331.847 3.695 20 10 EHCDHN C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000809702337 1135870880 /nfs/dbraw/zinc/87/08/80/1135870880.db2.gz RVYCSZAYTYNNIJ-RDTXWAMCSA-N 0 3 329.465 3.812 20 10 EHCDHN CC[N@H+](Cc1ccncc1)Cc1cc(Br)cc(C)c1[O-] ZINC000809727282 1135872394 /nfs/dbraw/zinc/87/23/94/1135872394.db2.gz VNWRCBREGSPHRP-UHFFFAOYSA-N 0 3 335.245 3.880 20 10 EHCDHN CC[N@@H+](Cc1ccncc1)Cc1cc(Br)cc(C)c1[O-] ZINC000809727282 1135872395 /nfs/dbraw/zinc/87/23/95/1135872395.db2.gz VNWRCBREGSPHRP-UHFFFAOYSA-N 0 3 335.245 3.880 20 10 EHCDHN CCN(Cc1ccncc1)Cc1cc(Br)cc(C)c1O ZINC000809727282 1135872398 /nfs/dbraw/zinc/87/23/98/1135872398.db2.gz VNWRCBREGSPHRP-UHFFFAOYSA-N 0 3 335.245 3.880 20 10 EHCDHN COc1cccc(CN(CC[NH+](C)C)Cc2c([O-])cccc2Cl)c1 ZINC000809751362 1135885550 /nfs/dbraw/zinc/88/55/50/1135885550.db2.gz DHWIPZXEASVXCH-UHFFFAOYSA-N 0 3 348.874 3.618 20 10 EHCDHN O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809780329 1135890146 /nfs/dbraw/zinc/89/01/46/1135890146.db2.gz USNOJSQUIMLITA-SFHVURJKSA-N 0 3 346.471 3.806 20 10 EHCDHN O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809780329 1135890149 /nfs/dbraw/zinc/89/01/49/1135890149.db2.gz USNOJSQUIMLITA-SFHVURJKSA-N 0 3 346.471 3.806 20 10 EHCDHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003992 1135915694 /nfs/dbraw/zinc/91/56/94/1135915694.db2.gz YYQONYNALUAEFU-ZWNOBZJWSA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000776003992 1135915696 /nfs/dbraw/zinc/91/56/96/1135915696.db2.gz YYQONYNALUAEFU-ZWNOBZJWSA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@@H]([NH2+]CCn1ccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215546 1135938548 /nfs/dbraw/zinc/93/85/48/1135938548.db2.gz ZDDJDRYPIFNTBK-CQSZACIVSA-N 0 3 327.350 3.657 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](n4cc(C)cn4)C3)c2c1 ZINC000811799902 1136138349 /nfs/dbraw/zinc/13/83/49/1136138349.db2.gz DHMMBIVHOCQXAG-INIZCTEOSA-N 0 3 337.423 3.506 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](n4cc(C)cn4)C3)c2c1 ZINC000811799902 1136138355 /nfs/dbraw/zinc/13/83/55/1136138355.db2.gz DHMMBIVHOCQXAG-INIZCTEOSA-N 0 3 337.423 3.506 20 10 EHCDHN COc1cc(CNCc2ccc(OC)c(O)c2)c(O)c(C(C)(C)C)c1 ZINC000850113110 1136211844 /nfs/dbraw/zinc/21/18/44/1136211844.db2.gz SQJKXWDYVMRFED-UHFFFAOYSA-N 0 3 345.439 3.702 20 10 EHCDHN Cc1ncc(CNCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)n1C ZINC000850285262 1136231096 /nfs/dbraw/zinc/23/10/96/1136231096.db2.gz RHZSXMOSHMLCFT-AWEZNQCLSA-N 0 3 346.906 3.908 20 10 EHCDHN COCCOCc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000812736749 1136240074 /nfs/dbraw/zinc/24/00/74/1136240074.db2.gz CKHYFBKJUXSELI-MRXNPFEDSA-N 0 3 329.440 3.714 20 10 EHCDHN CC[C@](C)([NH2+]Cc1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000850383592 1136246635 /nfs/dbraw/zinc/24/66/35/1136246635.db2.gz IEXJLLZALUTJBY-HNNXBMFYSA-N 0 3 328.250 3.832 20 10 EHCDHN CCOCc1cc(CNCc2cccc(OC)c2C)ccc1OC ZINC000850416103 1136254165 /nfs/dbraw/zinc/25/41/65/1136254165.db2.gz BCEBOMYAOMHPRI-UHFFFAOYSA-N 0 3 329.440 3.839 20 10 EHCDHN CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000850484249 1136267974 /nfs/dbraw/zinc/26/79/74/1136267974.db2.gz FSHKARCTHXKSDQ-ZDUSSCGKSA-N 0 3 346.858 3.841 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850504892 1136273547 /nfs/dbraw/zinc/27/35/47/1136273547.db2.gz HNSFJBLXMNBDSS-BZNIZROVSA-N 0 3 347.377 3.942 20 10 EHCDHN C[N@H+](Cc1cccc(OCC(F)(F)F)c1)Cc1ccccc1[O-] ZINC000109772045 1136339813 /nfs/dbraw/zinc/33/98/13/1136339813.db2.gz FBFYPIKSCHJZAY-UHFFFAOYSA-N 0 3 325.330 3.965 20 10 EHCDHN C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)Cc1ccccc1[O-] ZINC000109772045 1136339816 /nfs/dbraw/zinc/33/98/16/1136339816.db2.gz FBFYPIKSCHJZAY-UHFFFAOYSA-N 0 3 325.330 3.965 20 10 EHCDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000814300462 1136437966 /nfs/dbraw/zinc/43/79/66/1136437966.db2.gz KCDODUKIGSREFE-MRXNPFEDSA-N 0 3 340.467 3.701 20 10 EHCDHN CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815564054 1136611395 /nfs/dbraw/zinc/61/13/95/1136611395.db2.gz WAPNTVVEDZXRKW-STQMWFEESA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1[O-] ZINC000816624736 1136739420 /nfs/dbraw/zinc/73/94/20/1136739420.db2.gz GAHQAQLUFZYILA-UHFFFAOYSA-N 0 3 345.870 3.880 20 10 EHCDHN Cc1cc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cc(C)n1 ZINC000817411937 1136806061 /nfs/dbraw/zinc/80/60/61/1136806061.db2.gz ZNFXPBUOGUJNHI-UHFFFAOYSA-N 0 3 335.245 3.765 20 10 EHCDHN CC[C@@H]([NH2+]C[C@]1(COC)CCCN1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974652 1136853765 /nfs/dbraw/zinc/85/37/65/1136853765.db2.gz NBSCMZSFHISVGK-ZBFHGGJFSA-N 0 3 347.286 3.508 20 10 EHCDHN COc1ccc(N2CCC(N[C@H]3C[C@@]3(F)c3ccccc3)CC2)cc1 ZINC000818229901 1136868101 /nfs/dbraw/zinc/86/81/01/1136868101.db2.gz HHUMBAQUIVROOU-LEWJYISDSA-N 0 3 340.442 3.891 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000818342384 1136873121 /nfs/dbraw/zinc/87/31/21/1136873121.db2.gz QAHJWQCAQOBVLR-SJORKVTESA-N 0 3 340.467 3.886 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C)cc3[O-])C2)cc1 ZINC000818342382 1136873282 /nfs/dbraw/zinc/87/32/82/1136873282.db2.gz QAHJWQCAQOBVLR-IAGOWNOFSA-N 0 3 340.467 3.886 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000858330046 1136958803 /nfs/dbraw/zinc/95/88/03/1136958803.db2.gz KEWXCQXYTWIJOJ-UHFFFAOYSA-N 0 3 325.330 3.795 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000858449186 1136968851 /nfs/dbraw/zinc/96/88/51/1136968851.db2.gz JOZCCHFHSIKRCY-CDMKHQONSA-N 0 3 343.324 3.669 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1ccccc1[O-] ZINC000858489447 1136972599 /nfs/dbraw/zinc/97/25/99/1136972599.db2.gz CVUHNXWRNLDPRU-WMLDXEAASA-N 0 3 346.858 3.602 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000824007487 1137120501 /nfs/dbraw/zinc/12/05/01/1137120501.db2.gz WGRKWUAVPYFWAW-UWUNEBHHSA-N 0 3 341.451 3.612 20 10 EHCDHN CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824626382 1137146947 /nfs/dbraw/zinc/14/69/47/1137146947.db2.gz YXHIKXHWLWQYOZ-IBGZPJMESA-N 0 3 327.424 3.628 20 10 EHCDHN CC[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(C)cc1[O-] ZINC000794810446 1137259536 /nfs/dbraw/zinc/25/95/36/1137259536.db2.gz LGFBKKXYRIDTJK-IBGZPJMESA-N 0 3 344.499 3.923 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1ccc(C)cc1[O-] ZINC000794813704 1137262571 /nfs/dbraw/zinc/26/25/71/1137262571.db2.gz BTJKBYGRVFUWDL-MAUKXSAKSA-N 0 3 327.424 3.754 20 10 EHCDHN CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794819170 1137266127 /nfs/dbraw/zinc/26/61/27/1137266127.db2.gz VTFBRLCFGDCRCK-SNRMKQJTSA-N 0 3 338.451 3.935 20 10 EHCDHN CN(C)c1ccc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC000865653323 1137301854 /nfs/dbraw/zinc/30/18/54/1137301854.db2.gz DFVVCFIXKNKZDC-SFHVURJKSA-N 0 3 336.838 3.758 20 10 EHCDHN COC[C@@H](NCc1ccccc1O)c1cccc(Br)c1 ZINC000865823105 1137314374 /nfs/dbraw/zinc/31/43/74/1137314374.db2.gz BPGZHGIAJKUJQE-OAHLLOKOSA-N 0 3 336.229 3.632 20 10 EHCDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(Br)c1 ZINC000865823105 1137314375 /nfs/dbraw/zinc/31/43/75/1137314375.db2.gz BPGZHGIAJKUJQE-OAHLLOKOSA-N 0 3 336.229 3.632 20 10 EHCDHN COc1cc(CN[C@@H]2CCCn3nccc32)c(O)c(C(C)(C)C)c1 ZINC000865871037 1137317945 /nfs/dbraw/zinc/31/79/45/1137317945.db2.gz BSFRPYSTGWEQCA-MRXNPFEDSA-N 0 3 329.444 3.520 20 10 EHCDHN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000846057406 1137327640 /nfs/dbraw/zinc/32/76/40/1137327640.db2.gz UYWRDJVYCSXJTN-ZIAGYGMSSA-N 0 3 328.250 3.510 20 10 EHCDHN COc1ccc(O)c(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051410 1137330586 /nfs/dbraw/zinc/33/05/86/1137330586.db2.gz DWFUODADAWNOBP-INIZCTEOSA-N 0 3 331.387 3.932 20 10 EHCDHN COc1cccc2c1OCCC[C@@H]2NCc1ccc(N(C)C)cc1 ZINC000866217791 1137335645 /nfs/dbraw/zinc/33/56/45/1137335645.db2.gz HKZHMAQDOANNRG-SFHVURJKSA-N 0 3 326.440 3.765 20 10 EHCDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(OC)c1O)CCO2 ZINC000846163873 1137337111 /nfs/dbraw/zinc/33/71/11/1137337111.db2.gz MNMYBGRCYHQNDL-CXAGYDPISA-N 0 3 343.423 3.974 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cccnc2OC2CCCC2)c1O ZINC000846139689 1137338332 /nfs/dbraw/zinc/33/83/32/1137338332.db2.gz RHSXEFRYYKJNAD-CQSZACIVSA-N 0 3 342.439 3.968 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000715105353 1137475499 /nfs/dbraw/zinc/47/54/99/1137475499.db2.gz XBQJETROKCQUDN-KFWWJZLASA-N 0 3 334.460 3.655 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000876624832 1137657441 /nfs/dbraw/zinc/65/74/41/1137657441.db2.gz LTBKMQWNQUNBQC-UHFFFAOYSA-N 0 3 325.452 3.924 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c([O-])c1 ZINC000876661631 1137658450 /nfs/dbraw/zinc/65/84/50/1137658450.db2.gz OGPTWKNVXCCBIU-UHFFFAOYSA-N 0 3 342.414 3.690 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c([O-])c1 ZINC000877544762 1137680584 /nfs/dbraw/zinc/68/05/84/1137680584.db2.gz WOOPSSBPURDUDT-OAQYLSRUSA-N 0 3 325.452 3.518 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c([O-])c1 ZINC000877544762 1137680585 /nfs/dbraw/zinc/68/05/85/1137680585.db2.gz WOOPSSBPURDUDT-OAQYLSRUSA-N 0 3 325.452 3.518 20 10 EHCDHN C[C@@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879649276 1137753685 /nfs/dbraw/zinc/75/36/85/1137753685.db2.gz OUROXUPCXHTVPS-DNVCBOLYSA-N 0 3 338.451 3.627 20 10 EHCDHN Cc1sc2[nH]c(CN[C@@H](C)c3ccccc3O)nc(=O)c2c1C ZINC000879650925 1137753734 /nfs/dbraw/zinc/75/37/34/1137753734.db2.gz XDOZKZLIRSVKBP-JTQLQIEISA-N 0 3 329.425 3.570 20 10 EHCDHN CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650325 1137753774 /nfs/dbraw/zinc/75/37/74/1137753774.db2.gz UQOCJSYSXQIPEO-CQSZACIVSA-N 0 3 340.423 3.664 20 10 EHCDHN CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653285 1137753945 /nfs/dbraw/zinc/75/39/45/1137753945.db2.gz MPAIVOSHIHVDQJ-AWEZNQCLSA-N 0 3 326.440 3.806 20 10 EHCDHN Cc1cc(CN[C@@H](Cn2ccnc2)c2ccccc2)ccc1N(C)C ZINC000880570088 1137781542 /nfs/dbraw/zinc/78/15/42/1137781542.db2.gz UHLDNNLFQNYIKL-FQEVSTJZSA-N 0 3 334.467 3.789 20 10 EHCDHN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000883319734 1137854600 /nfs/dbraw/zinc/85/46/00/1137854600.db2.gz NINFSOYQLPOADX-WZRBSPASSA-N 0 3 328.250 3.539 20 10 EHCDHN CCOc1ccc(O)c(CN[C@H](Cn2ccnc2)c2ccccc2)c1 ZINC000883398458 1137859788 /nfs/dbraw/zinc/85/97/88/1137859788.db2.gz NDMAJERUXXPXSM-LJQANCHMSA-N 0 3 337.423 3.519 20 10 EHCDHN Fc1cccc2c1CC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000886362801 1138071112 /nfs/dbraw/zinc/07/11/12/1138071112.db2.gz NVDRLMXGMMFFJY-IBGZPJMESA-N 0 3 344.405 3.579 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000301750573 1138635745 /nfs/dbraw/zinc/63/57/45/1138635745.db2.gz BKZUFDDTAZQULY-HUUCEWRRSA-N 0 3 334.460 3.832 20 10 EHCDHN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000151111802 1139008862 /nfs/dbraw/zinc/00/88/62/1139008862.db2.gz DXUHQEBPNRJDMR-OAHLLOKOSA-N 0 3 326.488 3.878 20 10 EHCDHN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000152245310 1139080306 /nfs/dbraw/zinc/08/03/06/1139080306.db2.gz BSGWBGNZJCWZOF-RDTXWAMCSA-N 0 3 344.430 3.984 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000177825029 1139644614 /nfs/dbraw/zinc/64/46/14/1139644614.db2.gz HNPPEHVGHDEHEP-LSDHHAIUSA-N 0 3 346.496 3.568 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179884596 1139790338 /nfs/dbraw/zinc/79/03/38/1139790338.db2.gz NOBCENWLFMLIES-IUODEOHRSA-N 0 3 330.815 3.502 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccccc1[O-] ZINC000179884620 1139790558 /nfs/dbraw/zinc/79/05/58/1139790558.db2.gz NOBCENWLFMLIES-DOMZBBRYSA-N 0 3 330.815 3.502 20 10 EHCDHN Cc1cc2ncc([C@H](C)NCc3ccc(N4CCCC4)cc3)c(C)n2n1 ZINC000181199955 1139892364 /nfs/dbraw/zinc/89/23/64/1139892364.db2.gz IOJJIPXPBYTEJV-INIZCTEOSA-N 0 3 349.482 3.797 20 10 EHCDHN CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccccc3[O-])ccc2NC1=O ZINC000183540336 1140044860 /nfs/dbraw/zinc/04/48/60/1140044860.db2.gz PJWCPNPWPZBOIV-FHSNZYRGSA-N 0 3 340.423 3.914 20 10 EHCDHN CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185479345 1140151869 /nfs/dbraw/zinc/15/18/69/1140151869.db2.gz OGWANXNFGRBJNT-YJYMSZOUSA-N 0 3 333.403 3.703 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C2CCOCC2)c1[O-] ZINC000187307277 1140249041 /nfs/dbraw/zinc/24/90/41/1140249041.db2.gz QOKIYEZDKAKWJH-NEPJUHHUSA-N 0 3 342.277 3.929 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1F ZINC000168193578 1016831304 /nfs/dbraw/zinc/83/13/04/1016831304.db2.gz TWFLNJYCXBPRLR-UHFFFAOYSA-N 0 3 342.336 3.922 20 10 EHCDHN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1F ZINC000183446538 1032171865 /nfs/dbraw/zinc/17/18/65/1032171865.db2.gz LPKPLAJGHAZWAD-ZDUSSCGKSA-N 0 3 325.387 3.876 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000237091083 1019309683 /nfs/dbraw/zinc/30/96/83/1019309683.db2.gz BGLVWBCMBYGQOS-UHFFFAOYSA-N 0 3 340.467 3.998 20 10 EHCDHN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)c2ccccc12 ZINC001167426226 1019770146 /nfs/dbraw/zinc/77/01/46/1019770146.db2.gz CNFIOHWJFXVTOA-UHFFFAOYSA-N 0 3 346.478 3.907 20 10 EHCDHN COCCOC[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093754632 1032902737 /nfs/dbraw/zinc/90/27/37/1032902737.db2.gz LJWTYEKXPLDQCE-QGZVFWFLSA-N 0 3 341.451 3.544 20 10 EHCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000093754632 1032902755 /nfs/dbraw/zinc/90/27/55/1032902755.db2.gz LJWTYEKXPLDQCE-QGZVFWFLSA-N 0 3 341.451 3.544 20 10 EHCDHN C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c([O-])ccc2ccccc21 ZINC000176125719 1023183271 /nfs/dbraw/zinc/18/32/71/1023183271.db2.gz IUGXSFRXYPQETN-XMMPIXPASA-N 0 3 339.460 3.915 20 10 EHCDHN C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c([O-])ccc2ccccc21 ZINC000176125719 1023183273 /nfs/dbraw/zinc/18/32/73/1023183273.db2.gz IUGXSFRXYPQETN-XMMPIXPASA-N 0 3 339.460 3.915 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccccc1[O-] ZINC000157927044 1033168415 /nfs/dbraw/zinc/16/84/15/1033168415.db2.gz BHSOYDIZLWFHJN-GOSISDBHSA-N 0 3 325.456 3.937 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1[O-] ZINC000897780577 1033174748 /nfs/dbraw/zinc/17/47/48/1033174748.db2.gz XNSRFXPUUCGHNU-WJFWJRBTSA-N 0 3 340.261 3.510 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2cccnc2-n2ccnc2)cc1 ZINC000151490116 1024116317 /nfs/dbraw/zinc/11/63/17/1024116317.db2.gz JVTSTHINBDLUHL-INIZCTEOSA-N 0 3 335.455 3.574 20 10 EHCDHN Cn1nc2c(c1C[N@H+](Cc1ccccc1[O-])C1CCCC1)CCC2 ZINC000892013250 1024335194 /nfs/dbraw/zinc/33/51/94/1024335194.db2.gz UIHYQUAOWNCSIE-UHFFFAOYSA-N 0 3 325.456 3.559 20 10 EHCDHN Cn1nc2c(c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1)CCC2 ZINC000892013250 1024335208 /nfs/dbraw/zinc/33/52/08/1024335208.db2.gz UIHYQUAOWNCSIE-UHFFFAOYSA-N 0 3 325.456 3.559 20 10 EHCDHN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000156938218 1024659603 /nfs/dbraw/zinc/65/96/03/1024659603.db2.gz KEHBRQGPUAZSGK-DLBZAZTESA-N 0 3 340.467 3.944 20 10 EHCDHN CCn1cc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000157508459 1024929204 /nfs/dbraw/zinc/92/92/04/1024929204.db2.gz VNZVYUVLRMQYQM-KRWDZBQOSA-N 0 3 326.488 3.990 20 10 EHCDHN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001279141996 1025098683 /nfs/dbraw/zinc/09/86/83/1025098683.db2.gz LTMDIPFZCTYGJM-RYQLBKOJSA-N 0 3 332.488 3.573 20 10 EHCDHN CCCCn1nc(C)c(C[NH2+]Cc2c([O-])cccc2F)c1Cl ZINC000896641826 1025794048 /nfs/dbraw/zinc/79/40/48/1025794048.db2.gz SKTNRPYHAHFEOE-UHFFFAOYSA-N 0 3 325.815 3.780 20 10 EHCDHN CCCCn1nc(C)c(CNCc2c(O)cccc2F)c1Cl ZINC000896641826 1025794067 /nfs/dbraw/zinc/79/40/67/1025794067.db2.gz SKTNRPYHAHFEOE-UHFFFAOYSA-N 0 3 325.815 3.780 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1[O-] ZINC000273755924 1027601213 /nfs/dbraw/zinc/60/12/13/1027601213.db2.gz OHINWKYJGFTWQG-ZFWWWQNUSA-N 0 3 327.852 3.738 20 10 EHCDHN Cc1ccc(CN[C@@H](CO)c2ccccc2C(F)(F)F)c(O)c1 ZINC000897330162 1028278347 /nfs/dbraw/zinc/27/83/47/1028278347.db2.gz JBMDAIHKACFMAT-HNNXBMFYSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3c2cccc3O)c1[O-] ZINC000271836489 1029194351 /nfs/dbraw/zinc/19/43/51/1029194351.db2.gz FZPDUFUNBLTIRF-OAHLLOKOSA-N 0 3 348.240 3.946 20 10 EHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1)CCCO2 ZINC000160530292 1030826604 /nfs/dbraw/zinc/82/66/04/1030826604.db2.gz ZEFZJDFHIKEQMO-IBGZPJMESA-N 0 3 326.440 3.765 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000760171775 1031762971 /nfs/dbraw/zinc/76/29/71/1031762971.db2.gz PCGKZICCHMHFOU-HUUCEWRRSA-N 0 3 345.874 3.983 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000171837538 1034666901 /nfs/dbraw/zinc/66/69/01/1034666901.db2.gz ZWDQQBSWIIXRBD-UHFFFAOYSA-N 0 3 339.483 3.524 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCc3nccs3)c2c1 ZINC000157116126 1036507906 /nfs/dbraw/zinc/50/79/06/1036507906.db2.gz PPMNPFXCCQLLDA-UHFFFAOYSA-N 0 3 328.437 3.685 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCc3nccs3)c2c1 ZINC000157116126 1036507919 /nfs/dbraw/zinc/50/79/19/1036507919.db2.gz PPMNPFXCCQLLDA-UHFFFAOYSA-N 0 3 328.437 3.685 20 10 EHCDHN CCCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000255960830 1037485505 /nfs/dbraw/zinc/48/55/05/1037485505.db2.gz GSOWPYSPTDHSIG-AEFFLSMTSA-N 0 3 332.488 3.641 20 10 EHCDHN C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756368101 1038014126 /nfs/dbraw/zinc/01/41/26/1038014126.db2.gz NUQPOUOIFPWXCN-CYBMUJFWSA-N 0 3 326.431 3.976 20 10 EHCDHN C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756368101 1038014151 /nfs/dbraw/zinc/01/41/51/1038014151.db2.gz NUQPOUOIFPWXCN-CYBMUJFWSA-N 0 3 326.431 3.976 20 10 EHCDHN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000378494265 1038668778 /nfs/dbraw/zinc/66/87/78/1038668778.db2.gz KMZSCUPOWXJAOM-IBGZPJMESA-N 0 3 348.462 3.534 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Br)ccc1[O-] ZINC000044534533 1040976727 /nfs/dbraw/zinc/97/67/27/1040976727.db2.gz IINPGTBMAFFWDO-SWLSCSKDSA-N 0 3 341.293 3.537 20 10 EHCDHN CSC[C@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775723934 1135575985 /nfs/dbraw/zinc/57/59/85/1135575985.db2.gz KPORYZVMUKUJQX-CYBMUJFWSA-N 0 3 330.291 3.791 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000184885422 1126707079 /nfs/dbraw/zinc/70/70/79/1126707079.db2.gz CQSBNPDBXHMPGT-CHWSQXEVSA-N 0 3 326.375 3.524 20 10 EHCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N2CCCC2)o1 ZINC000185298422 1126857544 /nfs/dbraw/zinc/85/75/44/1126857544.db2.gz SRJZTIZVWMWHRM-RHSMWYFYSA-N 0 3 332.419 3.920 20 10 EHCDHN C[C@H](c1ccsc1)N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000765720228 1127738573 /nfs/dbraw/zinc/73/85/73/1127738573.db2.gz PYEFBYWUBAMVOX-CYBMUJFWSA-N 0 3 336.888 3.986 20 10 EHCDHN CC[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000186167100 1127832129 /nfs/dbraw/zinc/83/21/29/1127832129.db2.gz YBWKZKBBYOIKRR-WBVHZDCISA-N 0 3 339.357 3.883 20 10 EHCDHN COc1ccc([C@H]2C[C@@H]([N@@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665236 1128744752 /nfs/dbraw/zinc/74/47/52/1128744752.db2.gz NRZPMFUCNCPERH-LAUBAEHRSA-N 0 3 339.435 3.679 20 10 EHCDHN COc1ccc([C@H]2C[C@@H]([N@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665236 1128744756 /nfs/dbraw/zinc/74/47/56/1128744756.db2.gz NRZPMFUCNCPERH-LAUBAEHRSA-N 0 3 339.435 3.679 20 10 EHCDHN Nc1[nH]c2ccc(NCc3cc(Cl)c4cccnc4c3[O-])cc2[nH+]1 ZINC001168522283 1122383761 /nfs/dbraw/zinc/38/37/61/1122383761.db2.gz DXVRSZBYULGQRG-UHFFFAOYSA-N 0 3 339.786 3.664 20 10 EHCDHN COC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000917074012 1122470281 /nfs/dbraw/zinc/47/02/81/1122470281.db2.gz MUEJWZUAKWYFII-UHFFFAOYSA-N 0 3 338.451 3.704 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000179875562 1123880327 /nfs/dbraw/zinc/88/03/27/1123880327.db2.gz DPBKMQGGZKFCJR-MLGOLLRUSA-N 0 3 330.815 3.502 20 10 EHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])CC1CCN(c2ccccn2)CC1 ZINC000180183793 1123957142 /nfs/dbraw/zinc/95/71/42/1123957142.db2.gz ZHYPWOOXLDTUOB-UHFFFAOYSA-N 0 3 343.446 3.665 20 10 EHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])CC1CCN(c2ccccn2)CC1 ZINC000180183793 1123957143 /nfs/dbraw/zinc/95/71/43/1123957143.db2.gz ZHYPWOOXLDTUOB-UHFFFAOYSA-N 0 3 343.446 3.665 20 10 EHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(N2CCCC2=O)c1 ZINC000068706449 1124004016 /nfs/dbraw/zinc/00/40/16/1124004016.db2.gz NFKVAFLGYHUFFN-INIZCTEOSA-N 0 3 337.467 3.730 20 10 EHCDHN CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000735087215 1131308643 /nfs/dbraw/zinc/30/86/43/1131308643.db2.gz XYZVHOZKHXRBLN-UHFFFAOYSA-N 0 3 334.460 3.749 20 10 EHCDHN CCCN(CC(=O)Nc1ccc(C)c(C)c1)Cc1ccccc1O ZINC000727831196 1130598255 /nfs/dbraw/zinc/59/82/55/1130598255.db2.gz NETYVMWSDBFTAS-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN CCC[N@H+](CCC(=O)NCC1CCCCC1)Cc1ccccc1[O-] ZINC000731354390 1130790901 /nfs/dbraw/zinc/79/09/01/1130790901.db2.gz LPBSTOJNMMNJDU-UHFFFAOYSA-N 0 3 332.488 3.691 20 10 EHCDHN CCC[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccccc1[O-] ZINC000731354390 1130790906 /nfs/dbraw/zinc/79/09/06/1130790906.db2.gz LPBSTOJNMMNJDU-UHFFFAOYSA-N 0 3 332.488 3.691 20 10 EHCDHN C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc([O-])cs2)C1 ZINC000731869395 1130857052 /nfs/dbraw/zinc/85/70/52/1130857052.db2.gz GOHZTMVOVUCQIB-CQSZACIVSA-N 0 3 344.480 3.616 20 10 EHCDHN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([O-])cs2)C1 ZINC000731869395 1130857057 /nfs/dbraw/zinc/85/70/57/1130857057.db2.gz GOHZTMVOVUCQIB-CQSZACIVSA-N 0 3 344.480 3.616 20 10 EHCDHN C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000732204918 1130900181 /nfs/dbraw/zinc/90/01/81/1130900181.db2.gz GHZKRPVOEVGNJN-IAGOWNOFSA-N 0 3 344.499 3.641 20 10 EHCDHN C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000732204918 1130900186 /nfs/dbraw/zinc/90/01/86/1130900186.db2.gz GHZKRPVOEVGNJN-IAGOWNOFSA-N 0 3 344.499 3.641 20 10 EHCDHN CCc1cc(CN2CCCC[C@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000740758883 1131540304 /nfs/dbraw/zinc/54/03/04/1131540304.db2.gz MBYNEGTZVKRDPD-SFHVURJKSA-N 0 3 347.499 3.980 20 10 EHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CCC[C@H](OC)C2)C1 ZINC001172940279 1131912507 /nfs/dbraw/zinc/91/25/07/1131912507.db2.gz WYJQPQDJNFIMPX-GJZGRUSLSA-N 0 3 328.456 3.503 20 10 EHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CCC[C@@H](OC)C2)C1 ZINC001172940281 1131912767 /nfs/dbraw/zinc/91/27/67/1131912767.db2.gz WYJQPQDJNFIMPX-LSDHHAIUSA-N 0 3 328.456 3.503 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CC(F)(F)F)c1[O-] ZINC000766480430 1132557004 /nfs/dbraw/zinc/55/70/04/1132557004.db2.gz UULIKMVZEWEGTQ-SSDOTTSWSA-N 0 3 342.155 3.594 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872189 1132593079 /nfs/dbraw/zinc/59/30/79/1132593079.db2.gz LJNSFYSMQSQRED-HOCLYGCPSA-N 0 3 334.460 3.612 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872189 1132593086 /nfs/dbraw/zinc/59/30/86/1132593086.db2.gz LJNSFYSMQSQRED-HOCLYGCPSA-N 0 3 334.460 3.612 20 10 EHCDHN CC(C)C[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440608 1133138916 /nfs/dbraw/zinc/13/89/16/1133138916.db2.gz RHQHPFMWDDRUFB-IBGZPJMESA-N 0 3 345.414 3.615 20 10 EHCDHN CC(C)C[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440608 1133138920 /nfs/dbraw/zinc/13/89/20/1133138920.db2.gz RHQHPFMWDDRUFB-IBGZPJMESA-N 0 3 345.414 3.615 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000768841772 1133191069 /nfs/dbraw/zinc/19/10/69/1133191069.db2.gz NWHUFNVWINLYFY-MRXNPFEDSA-N 0 3 337.419 3.593 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000768938459 1133206780 /nfs/dbraw/zinc/20/67/80/1133206780.db2.gz KKSDBUSQRCVHGB-UHFFFAOYSA-N 0 3 327.424 3.692 20 10 EHCDHN CN(C)c1cc(F)c(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1F ZINC001179211292 1133235397 /nfs/dbraw/zinc/23/53/97/1133235397.db2.gz YWHFLKWXYXBNJA-MDASCCDHSA-N 0 3 332.369 3.598 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769299538 1133255994 /nfs/dbraw/zinc/25/59/94/1133255994.db2.gz QYABWEJGHKQDPG-INIZCTEOSA-N 0 3 334.460 3.614 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769299538 1133255998 /nfs/dbraw/zinc/25/59/98/1133255998.db2.gz QYABWEJGHKQDPG-INIZCTEOSA-N 0 3 334.460 3.614 20 10 EHCDHN CCOc1ccc(C[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)c([O-])c1 ZINC000769444727 1133291876 /nfs/dbraw/zinc/29/18/76/1133291876.db2.gz CRJSMVCGOZCVDI-FQEVSTJZSA-N 0 3 345.414 3.628 20 10 EHCDHN CCOc1ccc(C[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)c([O-])c1 ZINC000769444727 1133291877 /nfs/dbraw/zinc/29/18/77/1133291877.db2.gz CRJSMVCGOZCVDI-FQEVSTJZSA-N 0 3 345.414 3.628 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770509769 1133435941 /nfs/dbraw/zinc/43/59/41/1133435941.db2.gz TUPBYFQXJQYBCS-ZBFHGGJFSA-N 0 3 334.460 3.660 20 10 EHCDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770509769 1133435944 /nfs/dbraw/zinc/43/59/44/1133435944.db2.gz TUPBYFQXJQYBCS-ZBFHGGJFSA-N 0 3 334.460 3.660 20 10 EHCDHN CCc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774480417 1133687145 /nfs/dbraw/zinc/68/71/45/1133687145.db2.gz BQJXOXVOYXXRIO-CVEARBPZSA-N 0 3 339.483 3.993 20 10 EHCDHN CCc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774483444 1133687653 /nfs/dbraw/zinc/68/76/53/1133687653.db2.gz KUUWLLDTWZNXES-HZPDHXFCSA-N 0 3 339.483 3.993 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c([O-])c1 ZINC000785570098 1133728322 /nfs/dbraw/zinc/72/83/22/1133728322.db2.gz LIJAYPXSCUIANJ-QAPCUYQASA-N 0 3 330.472 3.675 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2([C@H]3CCCCO3)CC2)c1[O-] ZINC001183971181 1133883133 /nfs/dbraw/zinc/88/31/33/1133883133.db2.gz FJDYHQGTYOCTRV-CQSZACIVSA-N 0 3 340.261 3.654 20 10 EHCDHN CC(=O)Nc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000788524006 1134137756 /nfs/dbraw/zinc/13/77/56/1134137756.db2.gz JXRKFMNOZQYBER-UHFFFAOYSA-N 0 3 347.418 3.702 20 10 EHCDHN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001203663621 1134346747 /nfs/dbraw/zinc/34/67/47/1134346747.db2.gz BUXKSFNUMROTBE-UHFFFAOYSA-N 0 3 348.849 3.893 20 10 EHCDHN [O-]c1ccc(Cl)cc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001203663621 1134346754 /nfs/dbraw/zinc/34/67/54/1134346754.db2.gz BUXKSFNUMROTBE-UHFFFAOYSA-N 0 3 348.849 3.893 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000775138280 1134369226 /nfs/dbraw/zinc/36/92/26/1134369226.db2.gz NVMOMVWLGSRYNP-NVXWUHKLSA-N 0 3 344.421 3.668 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001191277528 1134839071 /nfs/dbraw/zinc/83/90/71/1134839071.db2.gz LHCBYRJHBYMUQN-GOSISDBHSA-N 0 3 346.471 3.758 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001191277528 1134839080 /nfs/dbraw/zinc/83/90/80/1134839080.db2.gz LHCBYRJHBYMUQN-GOSISDBHSA-N 0 3 346.471 3.758 20 10 EHCDHN CCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1OCC ZINC000793386434 1134921078 /nfs/dbraw/zinc/92/10/78/1134921078.db2.gz PZJHWKVGGPAPLK-UHFFFAOYSA-N 0 3 345.439 3.878 20 10 EHCDHN COc1ccc(C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)c([O-])c1 ZINC000793387257 1134921113 /nfs/dbraw/zinc/92/11/13/1134921113.db2.gz BHKGIOBNHQCQKO-CYBMUJFWSA-N 0 3 333.403 3.517 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)c2c1c(F)ccc2[O-] ZINC000793565232 1134958848 /nfs/dbraw/zinc/95/88/48/1134958848.db2.gz HCWDTHPLRYISND-JOYOIKCWSA-N 0 3 338.329 3.866 20 10 EHCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC001130895281 1135533185 /nfs/dbraw/zinc/53/31/85/1135533185.db2.gz LODSBIAGDBYULN-IBGZPJMESA-N 0 3 339.483 3.697 20 10 EHCDHN CSC[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775723934 1135575980 /nfs/dbraw/zinc/57/59/80/1135575980.db2.gz KPORYZVMUKUJQX-CYBMUJFWSA-N 0 3 330.291 3.791 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000808453282 1135669835 /nfs/dbraw/zinc/66/98/35/1135669835.db2.gz CXNXLIWPHDFWKA-SIKLNZKXSA-N 0 3 347.414 3.643 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)c1[O-] ZINC000808674416 1135714180 /nfs/dbraw/zinc/71/41/80/1135714180.db2.gz GVXWDWPEKTXNJV-LLVKDONJSA-N 0 3 333.819 3.695 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000808710474 1135718461 /nfs/dbraw/zinc/71/84/61/1135718461.db2.gz RJELRXUKYBPILI-LRDDRELGSA-N 0 3 337.822 3.747 20 10 EHCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(Cl)cc(C)c3[O-])CC2)n[nH]1 ZINC000808714847 1135719726 /nfs/dbraw/zinc/71/97/26/1135719726.db2.gz DJRJMDMJPQUVPW-ZDUSSCGKSA-N 0 3 348.878 3.705 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000809655232 1135866259 /nfs/dbraw/zinc/86/62/59/1135866259.db2.gz FKQINIJAIWSTSV-LJQANCHMSA-N 0 3 329.440 3.640 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1[O-] ZINC000809655730 1135866655 /nfs/dbraw/zinc/86/66/55/1135866655.db2.gz OZVFLNNNCXZYKY-SFHVURJKSA-N 0 3 349.858 3.904 20 10 EHCDHN Cc1cccc(CCC[NH2+]Cc2cc(Br)cc(C)c2[O-])n1 ZINC000809690084 1135867041 /nfs/dbraw/zinc/86/70/41/1135867041.db2.gz ZYBJBGXWFLSVNK-UHFFFAOYSA-N 0 3 349.272 3.889 20 10 EHCDHN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809757511 1135887062 /nfs/dbraw/zinc/88/70/62/1135887062.db2.gz PCTCYOWBNFYJSJ-GOSISDBHSA-N 0 3 333.435 3.782 20 10 EHCDHN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000809757511 1135887065 /nfs/dbraw/zinc/88/70/65/1135887065.db2.gz PCTCYOWBNFYJSJ-GOSISDBHSA-N 0 3 333.435 3.782 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000809779546 1135889875 /nfs/dbraw/zinc/88/98/75/1135889875.db2.gz RPKWVTGKIXYBMG-CQSZACIVSA-N 0 3 340.250 3.873 20 10 EHCDHN COc1cccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC001199580953 1135912375 /nfs/dbraw/zinc/91/23/75/1135912375.db2.gz DSJGAZPRAXMVRW-OAHLLOKOSA-N 0 3 344.430 3.522 20 10 EHCDHN COc1cccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC001199580952 1135912648 /nfs/dbraw/zinc/91/26/48/1135912648.db2.gz DSJGAZPRAXMVRW-HNNXBMFYSA-N 0 3 344.430 3.522 20 10 EHCDHN COc1cc(CN[C@H]2CCCc3c[nH]nc32)c(O)c(C(C)(C)C)c1 ZINC000850193491 1136218667 /nfs/dbraw/zinc/21/86/67/1136218667.db2.gz UMRZKKKQEQBFFR-INIZCTEOSA-N 0 3 329.444 3.589 20 10 EHCDHN CCOc1cccc(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850356490 1136240003 /nfs/dbraw/zinc/24/00/03/1136240003.db2.gz WDEHDBVHROWLTF-OAHLLOKOSA-N 0 3 347.377 3.771 20 10 EHCDHN COC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850361626 1136241095 /nfs/dbraw/zinc/24/10/95/1136241095.db2.gz ABHWSZKDCCDPQQ-IRUYWQDXSA-N 0 3 340.467 3.752 20 10 EHCDHN Cc1cc(Cl)cc(CNCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406471 1136250971 /nfs/dbraw/zinc/25/09/71/1136250971.db2.gz HOEYFVXIGKIDCM-UHFFFAOYSA-N 0 3 344.886 3.899 20 10 EHCDHN COC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850514761 1136275474 /nfs/dbraw/zinc/27/54/74/1136275474.db2.gz QHOUQHCIRGXUQP-FOIQADDNSA-N 0 3 328.456 3.800 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000850541356 1136282008 /nfs/dbraw/zinc/28/20/08/1136282008.db2.gz VMBPWSINEIQFPA-NEWSRXKRSA-N 0 3 327.472 3.886 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CCC(O)CC2)c1[O-] ZINC000850557211 1136285062 /nfs/dbraw/zinc/28/50/62/1136285062.db2.gz UZUJDKQFWBTYSZ-DCBWTQNWSA-N 0 3 342.277 3.665 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000850566524 1136287386 /nfs/dbraw/zinc/28/73/86/1136287386.db2.gz OYIUAOIBFBVFSO-HNNXBMFYSA-N 0 3 328.431 3.638 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c([O-])c1 ZINC000850567523 1136287415 /nfs/dbraw/zinc/28/74/15/1136287415.db2.gz DZFDTGQCSKEMPZ-INIZCTEOSA-N 0 3 340.467 3.513 20 10 EHCDHN C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)C(C)(C)C ZINC001134686446 1136509285 /nfs/dbraw/zinc/50/92/85/1136509285.db2.gz KPSUMGYXRMYBGR-BXWFABGCSA-N 0 3 347.547 3.790 20 10 EHCDHN Oc1cccc2c1[C@@H](N[C@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000853243060 1136521259 /nfs/dbraw/zinc/52/12/59/1136521259.db2.gz WUINSCDNYYUXQD-IRXDYDNUSA-N 0 3 331.419 3.842 20 10 EHCDHN COc1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc(OC)c1 ZINC000815024025 1136541931 /nfs/dbraw/zinc/54/19/31/1136541931.db2.gz PGJQYYHHWSMQPY-UHFFFAOYSA-N 0 3 328.456 3.710 20 10 EHCDHN CN1CCN(c2ccc(CNc3ccc(C4CCC4)cn3)cc2)CC1 ZINC000815161112 1136558492 /nfs/dbraw/zinc/55/84/92/1136558492.db2.gz ZRAGXOQPKUITPI-UHFFFAOYSA-N 0 3 336.483 3.713 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000854224481 1136599601 /nfs/dbraw/zinc/59/96/01/1136599601.db2.gz MXRDYKATVNKLIG-NZSAHSFTSA-N 0 3 328.431 3.718 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000113356301 1136697766 /nfs/dbraw/zinc/69/77/66/1136697766.db2.gz VTPDREXEUFKBFR-UHFFFAOYSA-N 0 3 325.437 3.633 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817941850 1136848413 /nfs/dbraw/zinc/84/84/13/1136848413.db2.gz LFYXTYXGVPLVRQ-ACJLOTCBSA-N 0 3 347.890 3.771 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3nc(C)sc3C)C2)cc1 ZINC000818342791 1136872585 /nfs/dbraw/zinc/87/25/85/1136872585.db2.gz VRGYBDULCIFITR-CJNGLKHVSA-N 0 3 345.512 3.946 20 10 EHCDHN COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccccc3[O-])C2)cc1 ZINC000818341584 1136872718 /nfs/dbraw/zinc/87/27/18/1136872718.db2.gz BHZCIJJHLFCYJF-HOTGVXAUSA-N 0 3 326.440 3.578 20 10 EHCDHN CC[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858448863 1136968716 /nfs/dbraw/zinc/96/87/16/1136968716.db2.gz SNKVALGAESBRSE-CVEARBPZSA-N 0 3 340.393 3.793 20 10 EHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000013994902 1137133900 /nfs/dbraw/zinc/13/39/00/1137133900.db2.gz SLWMRTZWJWLXPI-LJQANCHMSA-N 0 3 327.424 3.582 20 10 EHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000013994902 1137133901 /nfs/dbraw/zinc/13/39/01/1137133901.db2.gz SLWMRTZWJWLXPI-LJQANCHMSA-N 0 3 327.424 3.582 20 10 EHCDHN COC[C@@]1(C)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824582573 1137145438 /nfs/dbraw/zinc/14/54/38/1137145438.db2.gz AQSRWGROILUKCC-NRFANRHFSA-N 0 3 341.451 3.830 20 10 EHCDHN COC[C@@]1(C)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000824582573 1137145440 /nfs/dbraw/zinc/14/54/40/1137145440.db2.gz AQSRWGROILUKCC-NRFANRHFSA-N 0 3 341.451 3.830 20 10 EHCDHN CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000825099373 1137163509 /nfs/dbraw/zinc/16/35/09/1137163509.db2.gz YNACYRMXXCQDGD-VFNWGFHPSA-N 0 3 341.451 3.874 20 10 EHCDHN C[C@](CO)(NCc1ccccc1O)c1cc(Cl)cc(Cl)c1 ZINC000825130029 1137166646 /nfs/dbraw/zinc/16/66/46/1137166646.db2.gz KPHGZWYQMRRMHV-MRXNPFEDSA-N 0 3 326.223 3.696 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825144495 1137167307 /nfs/dbraw/zinc/16/73/07/1137167307.db2.gz OCRLTOMEMOPKQL-GOSISDBHSA-N 0 3 341.451 3.878 20 10 EHCDHN CN(C)c1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1F ZINC000825312273 1137174232 /nfs/dbraw/zinc/17/42/32/1137174232.db2.gz SAADVSCROMYPLG-SFHVURJKSA-N 0 3 348.487 3.947 20 10 EHCDHN c1c2c(nn1-c1ccccc1)CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000794803532 1137254962 /nfs/dbraw/zinc/25/49/62/1137254962.db2.gz JQOBYDLZZSQJHW-HXUWFJFHSA-N 0 3 345.446 3.974 20 10 EHCDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000865431276 1137283032 /nfs/dbraw/zinc/28/30/32/1137283032.db2.gz AXGLFRRHXJSPKF-INIZCTEOSA-N 0 3 328.431 3.822 20 10 EHCDHN COc1ccc(O)c(CNCc2cccc(F)c2OC(F)(F)F)c1 ZINC000865464331 1137286032 /nfs/dbraw/zinc/28/60/32/1137286032.db2.gz XXVDNQLELUQCEH-UHFFFAOYSA-N 0 3 345.292 3.728 20 10 EHCDHN Cc1ccc(O)c(CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000865657630 1137302346 /nfs/dbraw/zinc/30/23/46/1137302346.db2.gz ZLXBIYDNKQEJKU-OAHLLOKOSA-N 0 3 325.330 3.543 20 10 EHCDHN CCOc1cccc(CNCc2ccc(OC(F)F)cc2F)c1O ZINC000865787633 1137311843 /nfs/dbraw/zinc/31/18/43/1137311843.db2.gz WMTKCZTYYRNNHZ-UHFFFAOYSA-N 0 3 341.329 3.821 20 10 EHCDHN c1c2cnccc2oc1CNCc1ccc(N2CCSCC2)cc1 ZINC000845923852 1137320406 /nfs/dbraw/zinc/32/04/06/1137320406.db2.gz FXGNMIVDQJWLLD-UHFFFAOYSA-N 0 3 339.464 3.671 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000845971457 1137322231 /nfs/dbraw/zinc/32/22/31/1137322231.db2.gz KOVPYXSVUJCZRG-ZBEGNZNMSA-N 0 3 334.441 3.560 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000845973300 1137322641 /nfs/dbraw/zinc/32/26/41/1137322641.db2.gz YMXXCRWFLKQHNT-SNVBAGLBSA-N 0 3 336.775 3.813 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(C)cc1[O-] ZINC000846214590 1137341790 /nfs/dbraw/zinc/34/17/90/1137341790.db2.gz HUEBKNHKWNMPQN-DLBZAZTESA-N 0 3 326.440 3.518 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(C)cc1[O-] ZINC000846214591 1137341877 /nfs/dbraw/zinc/34/18/77/1137341877.db2.gz HUEBKNHKWNMPQN-IAGOWNOFSA-N 0 3 326.440 3.518 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000866548651 1137364181 /nfs/dbraw/zinc/36/41/81/1137364181.db2.gz XFCZSWNLZJMUMU-JYJNAYRXSA-N 0 3 348.487 3.963 20 10 EHCDHN Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000773017607 1137459352 /nfs/dbraw/zinc/45/93/52/1137459352.db2.gz SIRVDEVMLPWPET-OXJNMPFZSA-N 0 3 337.467 3.517 20 10 EHCDHN Cc1ccc(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)c(O)c1 ZINC000876552345 1137655254 /nfs/dbraw/zinc/65/52/54/1137655254.db2.gz ROQOQIHCSCSRQM-UHFFFAOYSA-N 0 3 337.423 3.593 20 10 EHCDHN Cc1ccc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877432322 1137676127 /nfs/dbraw/zinc/67/61/27/1137676127.db2.gz USDKUDPTOCUAEZ-UHFFFAOYSA-N 0 3 334.460 3.580 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735726 1137687143 /nfs/dbraw/zinc/68/71/43/1137687143.db2.gz FCDCINMVZOLYFT-UHFFFAOYSA-N 0 3 331.391 3.561 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000877778154 1137689273 /nfs/dbraw/zinc/68/92/73/1137689273.db2.gz KPFPQJJLEWCORU-LJQANCHMSA-N 0 3 349.434 3.792 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1ccccc1[O-] ZINC000879647582 1137753468 /nfs/dbraw/zinc/75/34/68/1137753468.db2.gz FHXIWWARXWNPTL-OLZOCXBDSA-N 0 3 332.831 3.574 20 10 EHCDHN C[C@@H](NCC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccccc1O ZINC000879649741 1137753570 /nfs/dbraw/zinc/75/35/70/1137753570.db2.gz FOWXBTMWNABSAH-UPJWGTAASA-N 0 3 329.362 3.981 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccccc1[O-] ZINC000879649741 1137753571 /nfs/dbraw/zinc/75/35/71/1137753571.db2.gz FOWXBTMWNABSAH-UPJWGTAASA-N 0 3 329.362 3.981 20 10 EHCDHN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](N)CC1CC1 ZINC000884305273 1137946320 /nfs/dbraw/zinc/94/63/20/1137946320.db2.gz QISSSQUNZKAKLA-KXBFYZLASA-N 0 3 338.451 3.609 20 10 EHCDHN C[C@@H](NCc1cc(NC(=O)OC(C)(C)C)ccn1)c1ccccc1O ZINC000886681404 1138113814 /nfs/dbraw/zinc/11/38/14/1138113814.db2.gz ZCIGGTHUFDFWQF-CYBMUJFWSA-N 0 3 343.427 3.985 20 10 EHCDHN Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000137277740 1138843705 /nfs/dbraw/zinc/84/37/05/1138843705.db2.gz ADVGRLPKOMHBQR-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN Cc1cccc(C)c1NC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000137277740 1138843709 /nfs/dbraw/zinc/84/37/09/1138843709.db2.gz ADVGRLPKOMHBQR-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1 ZINC000151544455 1139042504 /nfs/dbraw/zinc/04/25/04/1139042504.db2.gz RGTPADNCXGDRER-CQSZACIVSA-N 0 3 346.421 3.777 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1[O-] ZINC000183592470 1140048376 /nfs/dbraw/zinc/04/83/76/1140048376.db2.gz UEKHMRYMFPDOHP-MRXNPFEDSA-N 0 3 338.451 3.869 20 10 EHCDHN CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184914032 1140125930 /nfs/dbraw/zinc/12/59/30/1140125930.db2.gz ODHDBLINKDKJNV-ZDUSSCGKSA-N 0 3 330.403 3.977 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc3c(cc2OC)C[C@@H](C)O3)c1 ZINC000184975172 1140129165 /nfs/dbraw/zinc/12/91/65/1140129165.db2.gz LKSGRMNQEIMYOS-OLZOCXBDSA-N 0 3 343.423 3.584 20 10 EHCDHN COC(=O)CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185999755 1140181953 /nfs/dbraw/zinc/18/19/53/1140181953.db2.gz HENVZAZZVQRLNS-DYVFJYSZSA-N 0 3 331.387 3.876 20 10 EHCDHN COCC1=CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000187613237 1140264517 /nfs/dbraw/zinc/26/45/17/1140264517.db2.gz IEUDTWWPCUSFIN-UHFFFAOYSA-N 0 3 339.435 3.750 20 10 EHCDHN COCC1=CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000187613237 1140264521 /nfs/dbraw/zinc/26/45/21/1140264521.db2.gz IEUDTWWPCUSFIN-UHFFFAOYSA-N 0 3 339.435 3.750 20 10 EHCDHN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC000268892528 1141018765 /nfs/dbraw/zinc/01/87/65/1141018765.db2.gz YLCZTANUQSRAHK-CQSZACIVSA-N 0 3 346.858 3.572 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000271224777 1141328649 /nfs/dbraw/zinc/32/86/49/1141328649.db2.gz ACKRIICHIPLTGF-QAPCUYQASA-N 0 3 332.419 3.573 20 10 EHCDHN COc1ccc(O)c(CNCc2ccc(Br)s2)c1 ZINC000038018463 213190468 /nfs/dbraw/zinc/19/04/68/213190468.db2.gz WYQCGQFSRJZYRD-UHFFFAOYSA-N 0 3 328.231 3.515 20 10 EHCDHN CCOCOc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000782952123 1016836686 /nfs/dbraw/zinc/83/66/86/1016836686.db2.gz ITRWHLOMEZQVMG-UHFFFAOYSA-N 0 3 332.419 3.554 20 10 EHCDHN Cc1noc(C[C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000897578837 1032815153 /nfs/dbraw/zinc/81/51/53/1032815153.db2.gz HQWLLESHNJFIEU-HNNXBMFYSA-N 0 3 337.423 3.692 20 10 EHCDHN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000897578837 1032815167 /nfs/dbraw/zinc/81/51/67/1032815167.db2.gz HQWLLESHNJFIEU-HNNXBMFYSA-N 0 3 337.423 3.692 20 10 EHCDHN CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000280088243 1020048605 /nfs/dbraw/zinc/04/86/05/1020048605.db2.gz MDOGHWYQDSHLLY-LJQANCHMSA-N 0 3 326.440 3.942 20 10 EHCDHN COc1ccc(CN(C)[C@H](C)c2ccc(F)c(F)c2)c(O)c1OC ZINC000891553465 1021914892 /nfs/dbraw/zinc/91/48/92/1021914892.db2.gz NJWUNZDYZLSGRX-LLVKDONJSA-N 0 3 337.366 3.881 20 10 EHCDHN COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([O-])c1OC ZINC000894525591 1022477132 /nfs/dbraw/zinc/47/71/32/1022477132.db2.gz FMRZKEAURQSPIZ-BETUJISGSA-N 0 3 347.377 3.962 20 10 EHCDHN COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([O-])c1OC ZINC000894525591 1022477144 /nfs/dbraw/zinc/47/71/44/1022477144.db2.gz FMRZKEAURQSPIZ-BETUJISGSA-N 0 3 347.377 3.962 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1ccccc1[O-] ZINC000278757257 1023392269 /nfs/dbraw/zinc/39/22/69/1023392269.db2.gz XHMUODUNDKSWLI-DZKIICNBSA-N 0 3 334.460 3.688 20 10 EHCDHN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000896639546 1025791571 /nfs/dbraw/zinc/79/15/71/1025791571.db2.gz VXELNWKVHBKSGK-RDJZCZTQSA-N 0 3 328.431 3.532 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1[O-] ZINC000896918458 1026010726 /nfs/dbraw/zinc/01/07/26/1026010726.db2.gz PNFOHTRQBPSHRE-CQSZACIVSA-N 0 3 325.836 3.636 20 10 EHCDHN O=C1C[C@@H](c2ccccc2)[N@H+](Cc2c([O-])ccc3ccccc32)CCN1 ZINC000122030818 1026158615 /nfs/dbraw/zinc/15/86/15/1026158615.db2.gz XMBZLGDZDNCQPM-FQEVSTJZSA-N 0 3 346.430 3.609 20 10 EHCDHN O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1 ZINC000122030818 1026158623 /nfs/dbraw/zinc/15/86/23/1026158623.db2.gz XMBZLGDZDNCQPM-FQEVSTJZSA-N 0 3 346.430 3.609 20 10 EHCDHN COc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000158637764 1026204902 /nfs/dbraw/zinc/20/49/02/1026204902.db2.gz ARFWWKJVODVPNL-HNNXBMFYSA-N 0 3 344.430 3.522 20 10 EHCDHN CCCOc1ccc(CNCc2ccc3c(n2)CCCC3)c(O)c1 ZINC000277673267 1026512994 /nfs/dbraw/zinc/51/29/94/1026512994.db2.gz INVGZVPCEGGMKY-UHFFFAOYSA-N 0 3 326.440 3.745 20 10 EHCDHN C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437289 1027424407 /nfs/dbraw/zinc/42/44/07/1027424407.db2.gz MFXWBSKPSJTHEW-KKUMJFAQSA-N 0 3 347.459 3.604 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2CCC3(CCOCC3)CC2)c1[O-] ZINC000359956468 1027883078 /nfs/dbraw/zinc/88/30/78/1027883078.db2.gz LDWZFXRASWKGLH-UHFFFAOYSA-N 0 3 339.863 3.883 20 10 EHCDHN CCOCc1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1OC ZINC000898324229 1033434851 /nfs/dbraw/zinc/43/48/51/1033434851.db2.gz FIRZEQMQLUEIIX-HXUWFJFHSA-N 0 3 326.440 3.868 20 10 EHCDHN COc1cc(Cl)cc(CN2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186443100 1035636458 /nfs/dbraw/zinc/63/64/58/1035636458.db2.gz MXRLDQYYMCGNKX-LJQANCHMSA-N 0 3 345.826 3.686 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000186443100 1035636466 /nfs/dbraw/zinc/63/64/66/1035636466.db2.gz MXRLDQYYMCGNKX-LJQANCHMSA-N 0 3 345.826 3.686 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000186443100 1035636481 /nfs/dbraw/zinc/63/64/81/1035636481.db2.gz MXRLDQYYMCGNKX-LJQANCHMSA-N 0 3 345.826 3.686 20 10 EHCDHN Fc1cc(CN[C@@H]2CCCc3sccc32)ccc1N1CCOCC1 ZINC000165189258 1036287126 /nfs/dbraw/zinc/28/71/26/1036287126.db2.gz RVPAIJWMXMOYPG-QGZVFWFLSA-N 0 3 346.471 3.891 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2(C3CC3)CCOCC2)c1[O-] ZINC000376383990 1036424984 /nfs/dbraw/zinc/42/49/84/1036424984.db2.gz HNWLJLLLLBDAMN-UHFFFAOYSA-N 0 3 340.261 3.512 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761519707 1037099395 /nfs/dbraw/zinc/09/93/95/1037099395.db2.gz FGPNKOMQCMGPBR-UHFFFAOYSA-N 0 3 333.819 3.912 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000121101717 1037953902 /nfs/dbraw/zinc/95/39/02/1037953902.db2.gz VLECEKBOIMIRTB-HOCLYGCPSA-N 0 3 334.460 3.690 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1cccc(F)c1)C1CCC1)[C@H](O)CO2 ZINC000905748130 1039054434 /nfs/dbraw/zinc/05/44/34/1039054434.db2.gz DYKOLHIZMDJRMX-LJQANCHMSA-N 0 3 343.398 3.512 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1cccc(F)c1)C1CCC1)[C@H](O)CO2 ZINC000905748130 1039054454 /nfs/dbraw/zinc/05/44/54/1039054454.db2.gz DYKOLHIZMDJRMX-LJQANCHMSA-N 0 3 343.398 3.512 20 10 EHCDHN C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000905741904 1039078135 /nfs/dbraw/zinc/07/81/35/1039078135.db2.gz OYNPZBCVKXCAMJ-DJKXOVBDSA-N 0 3 339.435 3.586 20 10 EHCDHN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000905741904 1039078149 /nfs/dbraw/zinc/07/81/49/1039078149.db2.gz OYNPZBCVKXCAMJ-DJKXOVBDSA-N 0 3 339.435 3.586 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)c([O-])c1 ZINC000185458890 1039114729 /nfs/dbraw/zinc/11/47/29/1039114729.db2.gz CUXMJUUVUPCQRJ-DYVFJYSZSA-N 0 3 334.410 3.932 20 10 EHCDHN Fc1cc(CNC2(c3ccccc3)CCC2)ccc1N1CCOCC1 ZINC000066991162 1043503326 /nfs/dbraw/zinc/50/33/26/1043503326.db2.gz GLYZSEQFTFNOTL-UHFFFAOYSA-N 0 3 340.442 3.831 20 10 EHCDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC(F)F ZINC000184950405 1126722468 /nfs/dbraw/zinc/72/24/68/1126722468.db2.gz SPAJMPCOFHGJIL-SNVBAGLBSA-N 0 3 341.329 3.992 20 10 EHCDHN COc1cc(OC)c(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])c(OC)c1 ZINC000185401355 1126885676 /nfs/dbraw/zinc/88/56/76/1126885676.db2.gz QXFZXNRJUQSMBE-CQSZACIVSA-N 0 3 345.439 3.620 20 10 EHCDHN Cn1cc(CNCc2ccc3c(c2)CCCN3C)c(C2CCCC2)n1 ZINC000921624890 1127891647 /nfs/dbraw/zinc/89/16/47/1127891647.db2.gz GGMCSBMIZGFGCH-UHFFFAOYSA-N 0 3 338.499 3.750 20 10 EHCDHN COc1ccc([C@H]2C[C@H]([N@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665128 1128744879 /nfs/dbraw/zinc/74/48/79/1128744879.db2.gz MJIBROKVSDWKHQ-YLJYHZDGSA-N 0 3 327.424 3.753 20 10 EHCDHN COc1ccc([C@H]2C[C@H]([N@@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665128 1128744881 /nfs/dbraw/zinc/74/48/81/1128744881.db2.gz MJIBROKVSDWKHQ-YLJYHZDGSA-N 0 3 327.424 3.753 20 10 EHCDHN CC(=O)N1CC[C@H](NCc2ccc3c(c2)CCCO3)c2ccccc21 ZINC000921934958 1128935471 /nfs/dbraw/zinc/93/54/71/1128935471.db2.gz ITAOGYXGFHQYAW-IBGZPJMESA-N 0 3 336.435 3.599 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000762468926 1121313666 /nfs/dbraw/zinc/31/36/66/1121313666.db2.gz XUCCYGLFTPTCEY-MJGOQNOKSA-N 0 3 325.408 3.545 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000762468926 1121313675 /nfs/dbraw/zinc/31/36/75/1121313675.db2.gz XUCCYGLFTPTCEY-MJGOQNOKSA-N 0 3 325.408 3.545 20 10 EHCDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763083418 1121676865 /nfs/dbraw/zinc/67/68/65/1121676865.db2.gz HIXCMODCCUZIRO-GJZGRUSLSA-N 0 3 340.427 3.647 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCC[C@@H]1O ZINC000183122699 1125448037 /nfs/dbraw/zinc/44/80/37/1125448037.db2.gz SXMWDRKXIJCETK-XLIONFOSSA-N 0 3 341.451 3.564 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCC[C@@H]1O ZINC000183122699 1125448041 /nfs/dbraw/zinc/44/80/41/1125448041.db2.gz SXMWDRKXIJCETK-XLIONFOSSA-N 0 3 341.451 3.564 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000282496762 1129948986 /nfs/dbraw/zinc/94/89/86/1129948986.db2.gz RORNBTXGXCBECG-WBVHZDCISA-N 0 3 339.439 3.658 20 10 EHCDHN CCCC[N@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1ccccc1[O-] ZINC000282523194 1130243238 /nfs/dbraw/zinc/24/32/38/1130243238.db2.gz UFZQZFSMPZOSGI-UHFFFAOYSA-N 0 3 340.467 3.896 20 10 EHCDHN CCCC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1ccccc1[O-] ZINC000282523194 1130243240 /nfs/dbraw/zinc/24/32/40/1130243240.db2.gz UFZQZFSMPZOSGI-UHFFFAOYSA-N 0 3 340.467 3.896 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@H]1CCc2cccc([O-])c21)COCc1ccccc1 ZINC000702790750 1130245377 /nfs/dbraw/zinc/24/53/77/1130245377.db2.gz PRHQHEBEKOWQEA-RXVVDRJESA-N 0 3 341.451 3.591 20 10 EHCDHN COc1ccccc1[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000729989476 1130663489 /nfs/dbraw/zinc/66/34/89/1130663489.db2.gz WHBFRZNLYNSZER-INIZCTEOSA-N 0 3 341.407 3.857 20 10 EHCDHN COc1cc(C)cc(CN(C)Cc2ccccc2N2CCCC2)c1O ZINC000732535715 1130932849 /nfs/dbraw/zinc/93/28/49/1130932849.db2.gz ILVYMTRSJRRJDN-UHFFFAOYSA-N 0 3 340.467 3.941 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000743870274 1131996007 /nfs/dbraw/zinc/99/60/07/1131996007.db2.gz OFVMMOHTYYEHCY-LJQANCHMSA-N 0 3 338.451 3.718 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000743870274 1131996012 /nfs/dbraw/zinc/99/60/12/1131996012.db2.gz OFVMMOHTYYEHCY-LJQANCHMSA-N 0 3 338.451 3.718 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000743870274 1131996016 /nfs/dbraw/zinc/99/60/16/1131996016.db2.gz OFVMMOHTYYEHCY-LJQANCHMSA-N 0 3 338.451 3.718 20 10 EHCDHN CCC[C@]1(C)CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000743871954 1131997863 /nfs/dbraw/zinc/99/78/63/1131997863.db2.gz DDHGALKFFZAURE-OAQYLSRUSA-N 0 3 345.531 3.613 20 10 EHCDHN Cc1cnccc1Nc1cc(C(C)(C)c2ccc(O)c(N)c2)ccc1O ZINC001174539856 1132389289 /nfs/dbraw/zinc/38/92/89/1132389289.db2.gz SUGQLVWMLSWXCI-UHFFFAOYSA-N 0 3 349.434 3.875 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC001169755692 1132847555 /nfs/dbraw/zinc/84/75/55/1132847555.db2.gz YTBIZESJXTXAPE-QGZVFWFLSA-N 0 3 327.424 3.834 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1COc2ccccc2O1 ZINC001169755692 1132847562 /nfs/dbraw/zinc/84/75/62/1132847562.db2.gz YTBIZESJXTXAPE-QGZVFWFLSA-N 0 3 327.424 3.834 20 10 EHCDHN CCN(CC)c1ccc(CN(C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000768207379 1133108086 /nfs/dbraw/zinc/10/80/86/1133108086.db2.gz GRLMEISWRXYBTQ-UHFFFAOYSA-N 0 3 349.482 3.950 20 10 EHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)cc1OC ZINC000768231178 1133115067 /nfs/dbraw/zinc/11/50/67/1133115067.db2.gz VMFVXEYSFGSOKH-INIZCTEOSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)cc1OC ZINC000768231178 1133115070 /nfs/dbraw/zinc/11/50/70/1133115070.db2.gz VMFVXEYSFGSOKH-INIZCTEOSA-N 0 3 343.423 3.755 20 10 EHCDHN CC(C)(C)[C@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@H]2O)c1ccccc1 ZINC000768440236 1133138873 /nfs/dbraw/zinc/13/88/73/1133138873.db2.gz UQAKUMTZGZVNBT-IEBWSBKVSA-N 0 3 327.424 3.695 20 10 EHCDHN C[N@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442491 1133139240 /nfs/dbraw/zinc/13/92/40/1133139240.db2.gz QZAKLCHYRLZKFX-FQEVSTJZSA-N 0 3 335.403 3.603 20 10 EHCDHN C[N@@H+](Cc1ccc2ccccc2c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442491 1133139243 /nfs/dbraw/zinc/13/92/43/1133139243.db2.gz QZAKLCHYRLZKFX-FQEVSTJZSA-N 0 3 335.403 3.603 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768453571 1133141169 /nfs/dbraw/zinc/14/11/69/1133141169.db2.gz YXQMSZJPGFZUCV-UZLBHIALSA-N 0 3 339.435 3.588 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768453571 1133141171 /nfs/dbraw/zinc/14/11/71/1133141171.db2.gz YXQMSZJPGFZUCV-UZLBHIALSA-N 0 3 339.435 3.588 20 10 EHCDHN CNC(=O)[C@H]1CCCN1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000768906217 1133200945 /nfs/dbraw/zinc/20/09/45/1133200945.db2.gz NGMYCGDOQLQITE-QGZVFWFLSA-N 0 3 346.515 3.698 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)OC)cc1 ZINC000773775708 1133203939 /nfs/dbraw/zinc/20/39/39/1133203939.db2.gz KOMFAHDGDJOYKW-OXQOHEQNSA-N 0 3 340.467 3.783 20 10 EHCDHN CCc1ccccc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001178917155 1133212848 /nfs/dbraw/zinc/21/28/48/1133212848.db2.gz UYBOBRCRQBVMBY-UHFFFAOYSA-N 0 3 346.421 3.654 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000769103540 1133232682 /nfs/dbraw/zinc/23/26/82/1133232682.db2.gz YOCIQHNRGNWXBX-FZMZJTMJSA-N 0 3 340.261 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000769103540 1133232689 /nfs/dbraw/zinc/23/26/89/1133232689.db2.gz YOCIQHNRGNWXBX-FZMZJTMJSA-N 0 3 340.261 3.928 20 10 EHCDHN CC1CC[NH+](C[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000769148591 1133234181 /nfs/dbraw/zinc/23/41/81/1133234181.db2.gz OOFMDTINTNFERG-MRXNPFEDSA-N 0 3 336.907 3.990 20 10 EHCDHN COc1ccccc1CC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769315250 1133260351 /nfs/dbraw/zinc/26/03/51/1133260351.db2.gz ZVFLJENCSYHJMX-UHFFFAOYSA-N 0 3 341.451 3.864 20 10 EHCDHN COc1cccc(CN2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c1O ZINC000769474918 1133299365 /nfs/dbraw/zinc/29/93/65/1133299365.db2.gz SZLVFXYQORWLMP-KRWDZBQOSA-N 0 3 340.467 3.728 20 10 EHCDHN CCc1nc2c(s1)[C@H](N(C)Cc1c(O)cccc1OC)CCC2 ZINC000769514818 1133307644 /nfs/dbraw/zinc/30/76/44/1133307644.db2.gz OPVOLVVBFHYUGT-CQSZACIVSA-N 0 3 332.469 3.929 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C(F)(F)F)cn2)c1 ZINC000769786477 1133344872 /nfs/dbraw/zinc/34/48/72/1133344872.db2.gz JIDURAUXBXKFHZ-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN COC(=O)c1c(CN2CC[C@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001180198874 1133348138 /nfs/dbraw/zinc/34/81/38/1133348138.db2.gz KOTUNGBJHJNQJG-QWHCGFSZSA-N 0 3 332.419 3.582 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000770291768 1133407487 /nfs/dbraw/zinc/40/74/87/1133407487.db2.gz MFFCSADASNZPTC-CRAIPNDOSA-N 0 3 347.480 3.941 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000770291768 1133407490 /nfs/dbraw/zinc/40/74/90/1133407490.db2.gz MFFCSADASNZPTC-CRAIPNDOSA-N 0 3 347.480 3.941 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000770312056 1133409332 /nfs/dbraw/zinc/40/93/32/1133409332.db2.gz ILUIYLVYXDOVSK-FQEVSTJZSA-N 0 3 326.488 3.912 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770328276 1133412681 /nfs/dbraw/zinc/41/26/81/1133412681.db2.gz NLSGIRKBMZBDHH-QFBILLFUSA-N 0 3 345.414 3.628 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000770328276 1133412685 /nfs/dbraw/zinc/41/26/85/1133412685.db2.gz NLSGIRKBMZBDHH-QFBILLFUSA-N 0 3 345.414 3.628 20 10 EHCDHN COc1ccccc1[C@H](C[NH2+]Cc1ccc(C)cc1[O-])OC(C)C ZINC001181114185 1133453756 /nfs/dbraw/zinc/45/37/56/1133453756.db2.gz TXZSMTDMRZBVGF-FQEVSTJZSA-N 0 3 329.440 3.965 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)c([O-])c1 ZINC000770747848 1133468555 /nfs/dbraw/zinc/46/85/55/1133468555.db2.gz QVZWMDPJOIRWTG-BFUOFWGJSA-N 0 3 333.403 3.796 20 10 EHCDHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000771389387 1133551184 /nfs/dbraw/zinc/55/11/84/1133551184.db2.gz RKUWOASEGNXZQH-HZPDHXFCSA-N 0 3 343.446 3.778 20 10 EHCDHN CCc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774483439 1133687743 /nfs/dbraw/zinc/68/77/43/1133687743.db2.gz KUUWLLDTWZNXES-CVEARBPZSA-N 0 3 339.483 3.993 20 10 EHCDHN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774482463 1133688060 /nfs/dbraw/zinc/68/80/60/1133688060.db2.gz LFJSCYUZVCYLBA-GJZGRUSLSA-N 0 3 343.446 3.878 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429318 1133940840 /nfs/dbraw/zinc/94/08/40/1133940840.db2.gz WCZCGRVEHTYCIE-OXQOHEQNSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429318 1133940843 /nfs/dbraw/zinc/94/08/43/1133940843.db2.gz WCZCGRVEHTYCIE-OXQOHEQNSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c([O-])c1 ZINC000788507896 1134134301 /nfs/dbraw/zinc/13/43/01/1134134301.db2.gz SXYILHWSBQJEMQ-HNNXBMFYSA-N 0 3 342.439 3.557 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c1[O-] ZINC000789777700 1134333794 /nfs/dbraw/zinc/33/37/94/1134333794.db2.gz AWHXESKUPVXRNU-HKUYNNGSSA-N 0 3 349.858 3.902 20 10 EHCDHN C[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1[O-] ZINC001191681802 1134898344 /nfs/dbraw/zinc/89/83/44/1134898344.db2.gz IKXKYBBXMRIZSH-UHFFFAOYSA-N 0 3 334.460 3.614 20 10 EHCDHN C[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1[O-] ZINC001191681802 1134898347 /nfs/dbraw/zinc/89/83/47/1134898347.db2.gz IKXKYBBXMRIZSH-UHFFFAOYSA-N 0 3 334.460 3.614 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000793377066 1134915288 /nfs/dbraw/zinc/91/52/88/1134915288.db2.gz RBNFYHVKCNVPFS-UHFFFAOYSA-N 0 3 343.320 3.805 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000793607193 1134968670 /nfs/dbraw/zinc/96/86/70/1134968670.db2.gz PKFHRAHNCHCNHB-UHFFFAOYSA-N 0 3 336.357 3.522 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000793607193 1134968674 /nfs/dbraw/zinc/96/86/74/1134968674.db2.gz PKFHRAHNCHCNHB-UHFFFAOYSA-N 0 3 336.357 3.522 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c([O-])c1 ZINC000808430795 1135675150 /nfs/dbraw/zinc/67/51/50/1135675150.db2.gz ZNAUKTSERWTOBP-KRWDZBQOSA-N 0 3 335.831 3.658 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1[O-] ZINC000808708740 1135718132 /nfs/dbraw/zinc/71/81/32/1135718132.db2.gz PGSQSRCLKFVCCW-VIFPVBQESA-N 0 3 347.768 3.957 20 10 EHCDHN Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808714998 1135719702 /nfs/dbraw/zinc/71/97/02/1135719702.db2.gz GKSWWTGDTRVDDQ-WMLDXEAASA-N 0 3 333.859 3.917 20 10 EHCDHN NC(=O)c1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000104078822 1135748316 /nfs/dbraw/zinc/74/83/16/1135748316.db2.gz IULSORLUKJANNG-UHFFFAOYSA-N 0 3 338.451 3.826 20 10 EHCDHN NC(=O)c1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000104078822 1135748321 /nfs/dbraw/zinc/74/83/21/1135748321.db2.gz IULSORLUKJANNG-UHFFFAOYSA-N 0 3 338.451 3.826 20 10 EHCDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775838661 1135797581 /nfs/dbraw/zinc/79/75/81/1135797581.db2.gz ZXESAYQURXSQLW-INIZCTEOSA-N 0 3 325.456 3.659 20 10 EHCDHN COc1cc(Br)cc(CN2CCC3(CCC3)CC2)c1O ZINC000809707405 1135875589 /nfs/dbraw/zinc/87/55/89/1135875589.db2.gz WEFYXVWHSXPRQC-UHFFFAOYSA-N 0 3 340.261 3.929 20 10 EHCDHN CN(CCC[N@H+](C)Cc1ccco1)Cc1c([O-])ccc(Cl)c1F ZINC000809717803 1135877317 /nfs/dbraw/zinc/87/73/17/1135877317.db2.gz BCFSQUTXCDRFIA-UHFFFAOYSA-N 0 3 340.826 3.732 20 10 EHCDHN CN(CCC[N@@H+](C)Cc1ccco1)Cc1c([O-])ccc(Cl)c1F ZINC000809717803 1135877321 /nfs/dbraw/zinc/87/73/21/1135877321.db2.gz BCFSQUTXCDRFIA-UHFFFAOYSA-N 0 3 340.826 3.732 20 10 EHCDHN COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC001199844473 1135931969 /nfs/dbraw/zinc/93/19/69/1135931969.db2.gz ZRFUNRSXUBREHL-OAHLLOKOSA-N 0 3 344.430 3.522 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000810258951 1135943869 /nfs/dbraw/zinc/94/38/69/1135943869.db2.gz AGHZCDHGNIBOEI-NHYWBVRUSA-N 0 3 342.277 3.665 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000811519990 1136098510 /nfs/dbraw/zinc/09/85/10/1136098510.db2.gz IDGQIIRSFVOZAT-AWEZNQCLSA-N 0 3 342.414 3.899 20 10 EHCDHN CCN(CC)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000776265002 1136115118 /nfs/dbraw/zinc/11/51/18/1136115118.db2.gz LUNQGVCTWHNQMF-HXUWFJFHSA-N 0 3 326.484 3.998 20 10 EHCDHN COc1ccc(N2CC[C@H](NCc3ccccc3OC(F)F)C2)cc1 ZINC000850346731 1136238700 /nfs/dbraw/zinc/23/87/00/1136238700.db2.gz XXJFALRBWJWISL-HNNXBMFYSA-N 0 3 348.393 3.665 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2OC(F)F)c1 ZINC000850570566 1136289005 /nfs/dbraw/zinc/28/90/05/1136289005.db2.gz WITJNQBKNHNLER-JTQLQIEISA-N 0 3 341.329 3.992 20 10 EHCDHN CCOc1cccc(CN2CCN(c3cccc(F)c3)C[C@H]2C)c1O ZINC000814178336 1136411848 /nfs/dbraw/zinc/41/18/48/1136411848.db2.gz MMIANDIHZHSAKU-OAHLLOKOSA-N 0 3 344.430 3.641 20 10 EHCDHN CC1=CC[C@@](C)(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686602 1136509102 /nfs/dbraw/zinc/50/91/02/1136509102.db2.gz PLZSEBXIWXEYRN-TZIWHRDSSA-N 0 3 343.515 3.608 20 10 EHCDHN Cc1cc(C)c(O)c(CN2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000853552115 1136544185 /nfs/dbraw/zinc/54/41/85/1136544185.db2.gz VSVLNSUISIYGQV-IBGZPJMESA-N 0 3 327.424 3.956 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000815576854 1136613076 /nfs/dbraw/zinc/61/30/76/1136613076.db2.gz ZRPWBTXMRMRFMV-GHTZIAJQSA-N 0 3 336.479 3.892 20 10 EHCDHN C[C@H](CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])[S@](C)=O ZINC000815596790 1136617100 /nfs/dbraw/zinc/61/71/00/1136617100.db2.gz DUYULZCIKQDMNG-XKPFWTEKSA-N 0 3 345.508 3.813 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cnn(CC(F)F)c1)C1CCCC1 ZINC000816508849 1136728743 /nfs/dbraw/zinc/72/87/43/1136728743.db2.gz WPQLEGPWPYFDLS-UHFFFAOYSA-N 0 3 335.398 3.799 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnn(CC(F)F)c1)C1CCCC1 ZINC000816508849 1136728746 /nfs/dbraw/zinc/72/87/46/1136728746.db2.gz WPQLEGPWPYFDLS-UHFFFAOYSA-N 0 3 335.398 3.799 20 10 EHCDHN CN(C)c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1F ZINC000816631262 1136739397 /nfs/dbraw/zinc/73/93/97/1136739397.db2.gz LNBOTVDMJIXTFJ-FQEVSTJZSA-N 0 3 342.458 3.885 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000776866794 1136749294 /nfs/dbraw/zinc/74/92/94/1136749294.db2.gz ZGBOPZNYCIMPHB-OAGGEKHMSA-N 0 3 334.460 3.608 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011174 1136930212 /nfs/dbraw/zinc/93/02/12/1136930212.db2.gz RFLYBFXUUPFWQP-SFHVURJKSA-N 0 3 342.414 3.847 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011174 1136930214 /nfs/dbraw/zinc/93/02/14/1136930214.db2.gz RFLYBFXUUPFWQP-SFHVURJKSA-N 0 3 342.414 3.847 20 10 EHCDHN CCN(CC)c1ccc(CNC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858209531 1136949786 /nfs/dbraw/zinc/94/97/86/1136949786.db2.gz NMIJOLPISFCWRN-INIZCTEOSA-N 0 3 340.393 3.623 20 10 EHCDHN C[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(N2CCCCC2)cc1 ZINC000858528245 1136976322 /nfs/dbraw/zinc/97/63/22/1136976322.db2.gz PEQFPQWVBAYMHT-IIBYNOLFSA-N 0 3 349.478 3.891 20 10 EHCDHN COc1ccc(N2CCC(NCc3ccnc(Cl)c3F)CC2)cc1 ZINC000823757470 1137112732 /nfs/dbraw/zinc/11/27/32/1137112732.db2.gz LNJCGDQKHRVDAL-UHFFFAOYSA-N 0 3 349.837 3.641 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cnc2n1CCC2)C1CCCCC1 ZINC000824484805 1137139760 /nfs/dbraw/zinc/13/97/60/1137139760.db2.gz VDZUDRMNHBNPMW-UHFFFAOYSA-N 0 3 325.456 3.870 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2n1CCC2)C1CCCCC1 ZINC000824484805 1137139761 /nfs/dbraw/zinc/13/97/61/1137139761.db2.gz VDZUDRMNHBNPMW-UHFFFAOYSA-N 0 3 325.456 3.870 20 10 EHCDHN CN(C)c1cc(F)c(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000862384315 1137141515 /nfs/dbraw/zinc/14/15/15/1137141515.db2.gz VAUFDWHJMDCHQV-BJZITVGISA-N 0 3 338.442 3.546 20 10 EHCDHN Cc1ccc2cc(CN(C)Cc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000824535722 1137141623 /nfs/dbraw/zinc/14/16/23/1137141623.db2.gz VLFOLYRFPVIOOQ-UHFFFAOYSA-N 0 3 349.478 3.945 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]Cc2cc(C)cs2)c1[O-] ZINC000824750949 1137152342 /nfs/dbraw/zinc/15/23/42/1137152342.db2.gz PXNKAUFXFUYNJT-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN CC[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794796242 1137250923 /nfs/dbraw/zinc/25/09/23/1137250923.db2.gz WNWLILIIORKIMQ-SOLBZPMBSA-N 0 3 334.504 3.629 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794808536 1137257413 /nfs/dbraw/zinc/25/74/13/1137257413.db2.gz OPYNTTMVCKBKRV-ZBFHGGJFSA-N 0 3 334.460 3.751 20 10 EHCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1Br ZINC001144234486 1137257876 /nfs/dbraw/zinc/25/78/76/1137257876.db2.gz SNEHKQDJPGGRSB-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1Br ZINC001144234486 1137257878 /nfs/dbraw/zinc/25/78/78/1137257878.db2.gz SNEHKQDJPGGRSB-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN COc1cccc([C@@H](C)NCC(=O)Nc2ccc(C)cc2Cl)c1O ZINC000866394650 1137351338 /nfs/dbraw/zinc/35/13/38/1137351338.db2.gz DWBSDZIFMRFHFJ-GFCCVEGCSA-N 0 3 348.830 3.652 20 10 EHCDHN O[C@@H]([C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000123664933 1137545473 /nfs/dbraw/zinc/54/54/73/1137545473.db2.gz GDXSZBUDUNIGQK-IRXDYDNUSA-N 0 3 342.405 3.565 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000872135221 1137573653 /nfs/dbraw/zinc/57/36/53/1137573653.db2.gz GTDYYYYZJVKFES-QKMWGZLOSA-N 0 3 345.439 3.572 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1[O-] ZINC000872258781 1137576722 /nfs/dbraw/zinc/57/67/22/1137576722.db2.gz AKDFMDREJNYVPA-MRXNPFEDSA-N 0 3 339.863 3.978 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1[O-] ZINC000872258781 1137576723 /nfs/dbraw/zinc/57/67/23/1137576723.db2.gz AKDFMDREJNYVPA-MRXNPFEDSA-N 0 3 339.863 3.978 20 10 EHCDHN CCCOc1ccc(CNCc2ccc3oc(=O)n(C)c3c2)cc1C ZINC000873148122 1137591405 /nfs/dbraw/zinc/59/14/05/1137591405.db2.gz IDWCEBDRKAHALC-UHFFFAOYSA-N 0 3 340.423 3.519 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876613930 1137657000 /nfs/dbraw/zinc/65/70/00/1137657000.db2.gz GFMUWJXDOFARKU-UHFFFAOYSA-N 0 3 334.460 3.532 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876613930 1137657001 /nfs/dbraw/zinc/65/70/01/1137657001.db2.gz GFMUWJXDOFARKU-UHFFFAOYSA-N 0 3 334.460 3.532 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c([O-])c1 ZINC000876937072 1137665791 /nfs/dbraw/zinc/66/57/91/1137665791.db2.gz QTZDXYZBHCMSDU-AWEZNQCLSA-N 0 3 339.439 3.835 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c([O-])c1 ZINC000877000199 1137667449 /nfs/dbraw/zinc/66/74/49/1137667449.db2.gz MEUHMPXIQZBEML-LJQANCHMSA-N 0 3 345.446 3.805 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877583473 1137682029 /nfs/dbraw/zinc/68/20/29/1137682029.db2.gz IEEFZZKYNQEGSW-MRXNPFEDSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877583473 1137682030 /nfs/dbraw/zinc/68/20/30/1137682030.db2.gz IEEFZZKYNQEGSW-MRXNPFEDSA-N 0 3 343.389 3.882 20 10 EHCDHN Cc1ccc(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)c([O-])c1 ZINC000877584051 1137682062 /nfs/dbraw/zinc/68/20/62/1137682062.db2.gz OFODPJZLNLEADW-FQEVSTJZSA-N 0 3 347.405 3.924 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000877612915 1137682933 /nfs/dbraw/zinc/68/29/33/1137682933.db2.gz QLWHLASLFXKTQU-ZBFHGGJFSA-N 0 3 341.455 3.662 20 10 EHCDHN Cc1ccc(O)c(CNCc2c(C(F)(F)F)nc3n2CCCC3)c1 ZINC000877652775 1137684358 /nfs/dbraw/zinc/68/43/58/1137684358.db2.gz NUOPZIAACKNMTR-UHFFFAOYSA-N 0 3 339.361 3.542 20 10 EHCDHN COc1ccc(O)c(CN2CCC(Oc3ccccc3F)CC2)c1 ZINC000877675831 1137685502 /nfs/dbraw/zinc/68/55/02/1137685502.db2.gz VMRYECRTWKLOHX-UHFFFAOYSA-N 0 3 331.387 3.583 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1[O-] ZINC000877757216 1137688273 /nfs/dbraw/zinc/68/82/73/1137688273.db2.gz OVSCOMHBZVGUTH-YJBOKZPZSA-N 0 3 327.424 3.801 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CC2(CO1)CCOCC2)C1CCCC1 ZINC000878104412 1137702553 /nfs/dbraw/zinc/70/25/53/1137702553.db2.gz VKIHSVCQGNFLMJ-LJQANCHMSA-N 0 3 345.483 3.723 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)C1CCCC1 ZINC000878104412 1137702554 /nfs/dbraw/zinc/70/25/54/1137702554.db2.gz VKIHSVCQGNFLMJ-LJQANCHMSA-N 0 3 345.483 3.723 20 10 EHCDHN CCCCN(CCCS(=O)(=O)C(C)(C)C)Cc1ccccc1O ZINC000878565714 1137720413 /nfs/dbraw/zinc/72/04/13/1137720413.db2.gz RTJFWEJNSZVNME-UHFFFAOYSA-N 0 3 341.517 3.598 20 10 EHCDHN CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879647649 1137753422 /nfs/dbraw/zinc/75/34/22/1137753422.db2.gz HGRNFAKNVIJJCV-FOIQADDNSA-N 0 3 326.440 3.556 20 10 EHCDHN CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651779 1137753968 /nfs/dbraw/zinc/75/39/68/1137753968.db2.gz KMLNLKZILKPDOC-QWHCGFSZSA-N 0 3 330.453 3.792 20 10 EHCDHN CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879652720 1137754007 /nfs/dbraw/zinc/75/40/07/1137754007.db2.gz HGRNFAKNVIJJCV-MGPUTAFESA-N 0 3 326.440 3.556 20 10 EHCDHN C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1Cl ZINC000879652527 1137754031 /nfs/dbraw/zinc/75/40/31/1137754031.db2.gz FHXIWWARXWNPTL-QWHCGFSZSA-N 0 3 332.831 3.574 20 10 EHCDHN CCOc1cccc(CNCc2cc(C3CC3)ccc2OC)c1O ZINC000883258443 1137850828 /nfs/dbraw/zinc/85/08/28/1137850828.db2.gz BPMOGEHTUOSPOK-UHFFFAOYSA-N 0 3 327.424 3.967 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000136360129 1138023667 /nfs/dbraw/zinc/02/36/67/1138023667.db2.gz PLNNMFSVDIXDME-MRXNPFEDSA-N 0 3 326.223 3.864 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000136360129 1138023670 /nfs/dbraw/zinc/02/36/70/1138023670.db2.gz PLNNMFSVDIXDME-MRXNPFEDSA-N 0 3 326.223 3.864 20 10 EHCDHN C[C@@H](N[C@H](Cc1ccccc1)c1nccn1C)c1c(O)cccc1F ZINC000886631677 1138104168 /nfs/dbraw/zinc/10/41/68/1138104168.db2.gz UBYWEJOFXJKQAZ-RHSMWYFYSA-N 0 3 339.414 3.899 20 10 EHCDHN C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1c([O-])cccc1F ZINC000886631677 1138104170 /nfs/dbraw/zinc/10/41/70/1138104170.db2.gz UBYWEJOFXJKQAZ-RHSMWYFYSA-N 0 3 339.414 3.899 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000182327058 1139965250 /nfs/dbraw/zinc/96/52/50/1139965250.db2.gz APXHWDXNQWJOTJ-HNNXBMFYSA-N 0 3 342.439 3.615 20 10 EHCDHN COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183475387 1140041344 /nfs/dbraw/zinc/04/13/44/1140041344.db2.gz UVYVFORBYQXZKW-CVEARBPZSA-N 0 3 326.440 3.578 20 10 EHCDHN Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)cc1 ZINC000183485955 1140041542 /nfs/dbraw/zinc/04/15/42/1140041542.db2.gz NOYZLNRMWDHONN-MRXNPFEDSA-N 0 3 338.451 3.656 20 10 EHCDHN C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ccccc1[O-] ZINC000183624626 1140050311 /nfs/dbraw/zinc/05/03/11/1140050311.db2.gz ZMNWYANKTCVLEK-LLVKDONJSA-N 0 3 326.318 3.536 20 10 EHCDHN Cc1ccc(O)c([C@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185048861 1140133045 /nfs/dbraw/zinc/13/30/45/1140133045.db2.gz PLUYBTNQRPNBEM-LPHOPBHVSA-N 0 3 338.451 3.715 20 10 EHCDHN COc1ccc(CN[C@H](C)c2cc(C)ccc2O)c(OC)c1OC ZINC000185067034 1140134723 /nfs/dbraw/zinc/13/47/23/1140134723.db2.gz GKSIWWGSEDNLQR-CYBMUJFWSA-N 0 3 331.412 3.577 20 10 EHCDHN COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000185312601 1140144494 /nfs/dbraw/zinc/14/44/94/1140144494.db2.gz LJJKPJVGSFQQMX-DLBZAZTESA-N 0 3 340.467 3.886 20 10 EHCDHN CCOCCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187027786 1140233375 /nfs/dbraw/zinc/23/33/75/1140233375.db2.gz GHAAVIVJIWQPHO-GFCCVEGCSA-N 0 3 330.266 3.930 20 10 EHCDHN COCCC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187379337 1140253216 /nfs/dbraw/zinc/25/32/16/1140253216.db2.gz OCLORCRFKYCEHD-LBPRGKRZSA-N 0 3 342.277 3.930 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657907 1140541629 /nfs/dbraw/zinc/54/16/29/1140541629.db2.gz NPXQGWNRBWELKJ-GHMZBOCLSA-N 0 3 329.271 3.834 20 10 EHCDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccncc1 ZINC000271050824 1141300625 /nfs/dbraw/zinc/30/06/25/1141300625.db2.gz AJMVJQOJOABRAO-OAGGEKHMSA-N 0 3 343.446 3.685 20 10 EHCDHN COc1ccc2c(c1)[C@@H](NCc1cc(Cl)cc(OC)c1O)CCO2 ZINC000274378033 1141509662 /nfs/dbraw/zinc/50/96/62/1141509662.db2.gz FRDPQSKHKUAWPC-HNNXBMFYSA-N 0 3 349.814 3.676 20 10 EHCDHN Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000283057808 1141545433 /nfs/dbraw/zinc/54/54/33/1141545433.db2.gz SVMNKYVRLLLYAT-LJQANCHMSA-N 0 3 333.435 3.960 20 10 EHCDHN C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224380 994341043 /nfs/dbraw/zinc/34/10/43/994341043.db2.gz QGJCKAFHCKUJQL-OOHWJJMZSA-N 0 3 346.471 3.538 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c1[O-] ZINC000275355727 1016544145 /nfs/dbraw/zinc/54/41/45/1016544145.db2.gz RPLNJTLWHZUGDU-GRYCIOLGSA-N 0 3 328.250 3.539 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000275392921 1016678118 /nfs/dbraw/zinc/67/81/18/1016678118.db2.gz YVDQZBRKCIONGU-RWMBFGLXSA-N 0 3 342.277 3.929 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1[O-] ZINC000376863689 1017165618 /nfs/dbraw/zinc/16/56/18/1017165618.db2.gz GMMJLRQKPKKSAX-KBPBESRZSA-N 0 3 332.394 3.848 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(NC(C)=O)c2)cc1 ZINC000155436479 1017351655 /nfs/dbraw/zinc/35/16/55/1017351655.db2.gz AMQMTAJBNKRKCJ-OAHLLOKOSA-N 0 3 325.456 3.952 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3CN3CCCC3)c2c1 ZINC000172485470 1032736374 /nfs/dbraw/zinc/73/63/74/1032736374.db2.gz MIDGLJUJBSAMNY-QGZVFWFLSA-N 0 3 340.467 3.614 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3CN3CCCC3)c2c1 ZINC000172485470 1032736376 /nfs/dbraw/zinc/73/63/76/1032736376.db2.gz MIDGLJUJBSAMNY-QGZVFWFLSA-N 0 3 340.467 3.614 20 10 EHCDHN COc1cc([C@H](C)NCc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000078868256 1018045751 /nfs/dbraw/zinc/04/57/51/1018045751.db2.gz IGRNIMUIQOVMFF-AWEZNQCLSA-N 0 3 344.455 3.629 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000155571437 1018360770 /nfs/dbraw/zinc/36/07/70/1018360770.db2.gz FZTKAFOJQDORJG-JXFKEZNVSA-N 0 3 340.467 3.968 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(C)cc1[O-] ZINC000280078925 1020067632 /nfs/dbraw/zinc/06/76/32/1020067632.db2.gz LOOVCCOXSGVSFF-GOSISDBHSA-N 0 3 325.456 3.937 20 10 EHCDHN CC(C)[C@@H](CO)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588421013 1021272175 /nfs/dbraw/zinc/27/21/75/1021272175.db2.gz JNCWRGMRVZDNOK-GOSISDBHSA-N 0 3 340.427 3.647 20 10 EHCDHN COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)c(O)c1OC ZINC000891533189 1021852019 /nfs/dbraw/zinc/85/20/19/1021852019.db2.gz VJSTYEQUOQPMOD-UHFFFAOYSA-N 0 3 343.398 3.838 20 10 EHCDHN O=c1cc[nH]c2cc(CNCc3ccc(N4CCCCC4)cc3)ccc12 ZINC000895202453 1023967796 /nfs/dbraw/zinc/96/77/96/1023967796.db2.gz OMGQUSIWEUAOAY-UHFFFAOYSA-N 0 3 347.462 3.808 20 10 EHCDHN C[C@@H]([NH2+]Cc1c([O-])cccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000896639545 1025792187 /nfs/dbraw/zinc/79/21/87/1025792187.db2.gz VXELNWKVHBKSGK-NVXWUHKLSA-N 0 3 328.431 3.532 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000367041494 1025863875 /nfs/dbraw/zinc/86/38/75/1025863875.db2.gz XIDIRBWPRAMAFR-UHFFFAOYSA-N 0 3 346.471 3.615 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000367041494 1025863886 /nfs/dbraw/zinc/86/38/86/1025863886.db2.gz XIDIRBWPRAMAFR-UHFFFAOYSA-N 0 3 346.471 3.615 20 10 EHCDHN CCOC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848547468 1025915183 /nfs/dbraw/zinc/91/51/83/1025915183.db2.gz PHOTYHVMVCTEFI-SNVBAGLBSA-N 0 3 346.265 3.629 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000271840819 1029195880 /nfs/dbraw/zinc/19/58/80/1029195880.db2.gz QTQUSWPJBJNGSY-AWEZNQCLSA-N 0 3 340.261 3.654 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000156982865 1030163933 /nfs/dbraw/zinc/16/39/33/1030163933.db2.gz RTFZJVBXCOKQJE-JKSUJKDBSA-N 0 3 334.460 3.736 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1[O-] ZINC000528002646 1031565674 /nfs/dbraw/zinc/56/56/74/1031565674.db2.gz ZFRRSDPHSWCBJY-MEDUHNTESA-N 0 3 330.815 3.568 20 10 EHCDHN C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000310028379 1034167309 /nfs/dbraw/zinc/16/73/09/1034167309.db2.gz QWKPSSUOYMGNNF-HOCLYGCPSA-N 0 3 334.460 3.660 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1[O-] ZINC000529641339 1034332688 /nfs/dbraw/zinc/33/26/88/1034332688.db2.gz QLEKJKLTOIKQJE-INIZCTEOSA-N 0 3 338.879 3.551 20 10 EHCDHN CN(C)c1ccc(CN2CCC(Cc3cccnc3)CC2)cc1F ZINC000780895721 1034512813 /nfs/dbraw/zinc/51/28/13/1034512813.db2.gz ZLURUGQPWQQKHY-UHFFFAOYSA-N 0 3 327.447 3.741 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC000725846140 1035202495 /nfs/dbraw/zinc/20/24/95/1035202495.db2.gz XTOYACSSUOWFFG-CYBMUJFWSA-N 0 3 340.423 3.526 20 10 EHCDHN COc1ccc(N2CCC(NCc3cc(F)ccc3F)CC2)cc1 ZINC000102432683 1036467844 /nfs/dbraw/zinc/46/78/44/1036467844.db2.gz OAQMRVCMIPLPGV-UHFFFAOYSA-N 0 3 332.394 3.732 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000310049913 1037671618 /nfs/dbraw/zinc/67/16/18/1037671618.db2.gz KVJZBAPSPDVGJO-GJZGRUSLSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185391020 1039093647 /nfs/dbraw/zinc/09/36/47/1039093647.db2.gz MOFKDNKOXUUQET-HUUCEWRRSA-N 0 3 329.440 4.000 20 10 EHCDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(O)c1 ZINC000194856171 1041336865 /nfs/dbraw/zinc/33/68/65/1041336865.db2.gz IIZKMCJGYSCGIJ-HNNXBMFYSA-N 0 3 328.481 3.796 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1OCOC ZINC000092705031 1042826319 /nfs/dbraw/zinc/82/63/19/1042826319.db2.gz ZBFCLDYZGXDCQY-UHFFFAOYSA-N 0 3 345.439 3.796 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1OCOC ZINC000092705031 1042826326 /nfs/dbraw/zinc/82/63/26/1042826326.db2.gz ZBFCLDYZGXDCQY-UHFFFAOYSA-N 0 3 345.439 3.796 20 10 EHCDHN COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000183518252 1125586057 /nfs/dbraw/zinc/58/60/57/1125586057.db2.gz LQFDMTKNMRYSOD-HZPDHXFCSA-N 0 3 326.440 3.720 20 10 EHCDHN Cc1ccc(O)c([C@H](C)NCc2cccnc2OCC(F)(F)F)c1 ZINC000184984671 1126728960 /nfs/dbraw/zinc/72/89/60/1126728960.db2.gz BWDAOPHAQCYSJT-LBPRGKRZSA-N 0 3 340.345 3.888 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000185455991 1126904193 /nfs/dbraw/zinc/90/41/93/1126904193.db2.gz YCCGBDBDIUYBOY-TZMCWYRMSA-N 0 3 338.423 3.581 20 10 EHCDHN C[C@@H](NCc1scnc1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000785438478 1127744841 /nfs/dbraw/zinc/74/48/41/1127744841.db2.gz HHKBXKAQKUFWRE-CQSZACIVSA-N 0 3 343.496 3.708 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000186200923 1128183287 /nfs/dbraw/zinc/18/32/87/1128183287.db2.gz IQJBYQBJNLMSSH-XJKSGUPXSA-N 0 3 334.460 3.655 20 10 EHCDHN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000765779604 1128358909 /nfs/dbraw/zinc/35/89/09/1128358909.db2.gz LJRXUJGGCPGFLX-CVEARBPZSA-N 0 3 326.440 3.641 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000765788828 1128368851 /nfs/dbraw/zinc/36/88/51/1128368851.db2.gz QASVGCDAKJSGGF-NVXWUHKLSA-N 0 3 339.357 3.851 20 10 EHCDHN COC(=O)c1cccc(C2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC001203558284 1128398101 /nfs/dbraw/zinc/39/81/01/1128398101.db2.gz BOGPRMDLOHWIGO-UHFFFAOYSA-N 0 3 325.408 3.558 20 10 EHCDHN Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000186401249 1128425051 /nfs/dbraw/zinc/42/50/51/1128425051.db2.gz QBZUMDNTIAYOGK-INIZCTEOSA-N 0 3 325.456 3.626 20 10 EHCDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccc(OC)cc2OC)c1 ZINC000236846191 1123475329 /nfs/dbraw/zinc/47/53/29/1123475329.db2.gz SRTJPQGOASWVGR-ZDUSSCGKSA-N 0 3 331.412 3.659 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cn(C)nc2C2CCCC2)c1 ZINC000922217721 1129370163 /nfs/dbraw/zinc/37/01/63/1129370163.db2.gz WLLWOPUYGWDIQB-ZDUSSCGKSA-N 0 3 329.444 3.643 20 10 EHCDHN Oc1cc2c(cc1O)CN([C@@H]1Cc3cccc(Cl)c3C1)CCC2 ZINC001168739808 1129777363 /nfs/dbraw/zinc/77/73/63/1129777363.db2.gz QLRDBOLKDXMFOA-OAHLLOKOSA-N 0 3 329.827 3.667 20 10 EHCDHN CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000727830528 1130597226 /nfs/dbraw/zinc/59/72/26/1130597226.db2.gz ANAGUBCISYHHSN-UHFFFAOYSA-N 0 3 330.403 3.772 20 10 EHCDHN CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000727830528 1130597230 /nfs/dbraw/zinc/59/72/30/1130597230.db2.gz ANAGUBCISYHHSN-UHFFFAOYSA-N 0 3 330.403 3.772 20 10 EHCDHN COc1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1C ZINC000727838698 1130599282 /nfs/dbraw/zinc/59/92/82/1130599282.db2.gz QTQQWNRARXEIJO-QGZVFWFLSA-N 0 3 339.357 3.543 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCOc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000731845378 1130849948 /nfs/dbraw/zinc/84/99/48/1130849948.db2.gz YYZNZPKLVIKRAG-IBGZPJMESA-N 0 3 345.414 3.591 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCOc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000731845378 1130849957 /nfs/dbraw/zinc/84/99/57/1130849957.db2.gz YYZNZPKLVIKRAG-IBGZPJMESA-N 0 3 345.414 3.591 20 10 EHCDHN CCN1CCCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000731881338 1130854329 /nfs/dbraw/zinc/85/43/29/1130854329.db2.gz BDCDKLPUXTVYGW-UHFFFAOYSA-N 0 3 339.483 3.570 20 10 EHCDHN COc1cccc(CNCc2ccc(Br)cc2F)c1O ZINC000732231248 1130902719 /nfs/dbraw/zinc/90/27/19/1130902719.db2.gz ORXKUSABWNEFLU-UHFFFAOYSA-N 0 3 340.192 3.592 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1[O-] ZINC001172901215 1131883662 /nfs/dbraw/zinc/88/36/62/1131883662.db2.gz LEYXYPOLJIRRFQ-CJNGLKHVSA-N 0 3 326.396 3.899 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000743870531 1131994797 /nfs/dbraw/zinc/99/47/97/1131994797.db2.gz WMGCTKVVTKUAFP-BBWFWOEESA-N 0 3 332.488 3.782 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000743870531 1131994806 /nfs/dbraw/zinc/99/48/06/1131994806.db2.gz WMGCTKVVTKUAFP-BBWFWOEESA-N 0 3 332.488 3.782 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000743870440 1131995977 /nfs/dbraw/zinc/99/59/77/1131995977.db2.gz RJUKBTYIAXUAGT-IMBTUZDBSA-N 0 3 346.515 3.934 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000743870440 1131995985 /nfs/dbraw/zinc/99/59/85/1131995985.db2.gz RJUKBTYIAXUAGT-IMBTUZDBSA-N 0 3 346.515 3.934 20 10 EHCDHN C[C@@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000766530748 1132598509 /nfs/dbraw/zinc/59/85/09/1132598509.db2.gz VTDUKZOLNUCGCE-LLVKDONJSA-N 0 3 336.785 3.780 20 10 EHCDHN C[C@@H]1c2sccc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001175831621 1132771027 /nfs/dbraw/zinc/77/10/27/1132771027.db2.gz QSRIRDZQBBUZRG-OAHLLOKOSA-N 0 3 328.481 3.704 20 10 EHCDHN COc1ccc(N2CCC([NH2+]Cc3cc([O-])cc(Cl)c3)CC2)cc1 ZINC001177604126 1133085467 /nfs/dbraw/zinc/08/54/67/1133085467.db2.gz JGSKFQYOQWBTCB-UHFFFAOYSA-N 0 3 346.858 3.813 20 10 EHCDHN C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768216227 1133113892 /nfs/dbraw/zinc/11/38/92/1133113892.db2.gz SGMFJSXPAFPCKV-HNNXBMFYSA-N 0 3 346.421 3.994 20 10 EHCDHN CCOc1ccc(CN2CCC(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000768225239 1133114199 /nfs/dbraw/zinc/11/41/99/1133114199.db2.gz FPMBFUSUTYFCIA-UHFFFAOYSA-N 0 3 339.435 3.886 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000768225239 1133114200 /nfs/dbraw/zinc/11/42/00/1133114200.db2.gz FPMBFUSUTYFCIA-UHFFFAOYSA-N 0 3 339.435 3.886 20 10 EHCDHN CCC[N@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440047 1133137826 /nfs/dbraw/zinc/13/78/26/1133137826.db2.gz RFMTWMHVJRUOAA-IBGZPJMESA-N 0 3 327.424 3.539 20 10 EHCDHN CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440047 1133137830 /nfs/dbraw/zinc/13/78/30/1133137830.db2.gz RFMTWMHVJRUOAA-IBGZPJMESA-N 0 3 327.424 3.539 20 10 EHCDHN C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439268 1133139591 /nfs/dbraw/zinc/13/95/91/1133139591.db2.gz JHYGFARUWCCFDA-VLIAUNLRSA-N 0 3 339.435 3.619 20 10 EHCDHN C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439268 1133139595 /nfs/dbraw/zinc/13/95/95/1133139595.db2.gz JHYGFARUWCCFDA-VLIAUNLRSA-N 0 3 339.435 3.619 20 10 EHCDHN Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768445700 1133140583 /nfs/dbraw/zinc/14/05/83/1133140583.db2.gz IGIOJVYEDDIQSQ-QUCCMNQESA-N 0 3 339.435 3.854 20 10 EHCDHN Cc1ccc([C@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1 ZINC000768445700 1133140585 /nfs/dbraw/zinc/14/05/85/1133140585.db2.gz IGIOJVYEDDIQSQ-QUCCMNQESA-N 0 3 339.435 3.854 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768453488 1133141518 /nfs/dbraw/zinc/14/15/18/1133141518.db2.gz YXQMSZJPGFZUCV-JXFKEZNVSA-N 0 3 339.435 3.588 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768453488 1133141521 /nfs/dbraw/zinc/14/15/21/1133141521.db2.gz YXQMSZJPGFZUCV-JXFKEZNVSA-N 0 3 339.435 3.588 20 10 EHCDHN CCN(CC)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000769074733 1133226144 /nfs/dbraw/zinc/22/61/44/1133226144.db2.gz MKPZXUZOGYFQBE-KRWDZBQOSA-N 0 3 347.503 3.632 20 10 EHCDHN CC1CC[NH+](C[C@@H]2CCCN(Cc3c([O-])cccc3Cl)C2)CC1 ZINC000769149248 1133234771 /nfs/dbraw/zinc/23/47/71/1133234771.db2.gz ZJHAHEXOGIPMHJ-INIZCTEOSA-N 0 3 336.907 3.990 20 10 EHCDHN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC001180099363 1133330996 /nfs/dbraw/zinc/33/09/96/1133330996.db2.gz YISORLBPPHBALY-QGZVFWFLSA-N 0 3 329.440 3.863 20 10 EHCDHN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC001180099363 1133331002 /nfs/dbraw/zinc/33/10/02/1133331002.db2.gz YISORLBPPHBALY-QGZVFWFLSA-N 0 3 329.440 3.863 20 10 EHCDHN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC001180099362 1133331219 /nfs/dbraw/zinc/33/12/19/1133331219.db2.gz YISORLBPPHBALY-KRWDZBQOSA-N 0 3 329.440 3.863 20 10 EHCDHN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC001180099362 1133331223 /nfs/dbraw/zinc/33/12/23/1133331223.db2.gz YISORLBPPHBALY-KRWDZBQOSA-N 0 3 329.440 3.863 20 10 EHCDHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1cc(F)ccc1[O-] ZINC001182335721 1133641716 /nfs/dbraw/zinc/64/17/16/1133641716.db2.gz VETKBIAHVRSTBZ-LBPRGKRZSA-N 0 3 330.378 3.883 20 10 EHCDHN Cc1cncc(/C=C/C(=O)N(CCN2CCCC2)c2ccccc2)c1 ZINC000772149485 1133651612 /nfs/dbraw/zinc/65/16/12/1133651612.db2.gz BEPYTVLQYAKSBE-MDZDMXLPSA-N 0 3 335.451 3.532 20 10 EHCDHN Cc1nc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000774483966 1133687958 /nfs/dbraw/zinc/68/79/58/1133687958.db2.gz QPDUNUDBIKYWCF-QWHCGFSZSA-N 0 3 346.500 3.504 20 10 EHCDHN Cc1nc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000774483968 1133688086 /nfs/dbraw/zinc/68/80/86/1133688086.db2.gz QPDUNUDBIKYWCF-STQMWFEESA-N 0 3 346.500 3.504 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1cccc(F)c1 ZINC000774483311 1133688209 /nfs/dbraw/zinc/68/82/09/1133688209.db2.gz JOKXVXBFJVSGJP-ZIAGYGMSSA-N 0 3 329.419 3.570 20 10 EHCDHN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000774487313 1133688958 /nfs/dbraw/zinc/68/89/58/1133688958.db2.gz ZAXVZJBJNDJWPF-CABCVRRESA-N 0 3 343.446 3.878 20 10 EHCDHN Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000786585489 1133871228 /nfs/dbraw/zinc/87/12/28/1133871228.db2.gz WLDHLDJNGJLAFQ-YSVLISHTSA-N 0 3 329.415 3.581 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)C1CCCCC1 ZINC000789348812 1134253690 /nfs/dbraw/zinc/25/36/90/1134253690.db2.gz RDMPWWHMJMVVCD-FQEVSTJZSA-N 0 3 329.440 3.929 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)C1CCCCC1 ZINC000789348812 1134253693 /nfs/dbraw/zinc/25/36/93/1134253693.db2.gz RDMPWWHMJMVVCD-FQEVSTJZSA-N 0 3 329.440 3.929 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)C1CCCCC1 ZINC000789348812 1134253697 /nfs/dbraw/zinc/25/36/97/1134253697.db2.gz RDMPWWHMJMVVCD-FQEVSTJZSA-N 0 3 329.440 3.929 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000775138278 1134368776 /nfs/dbraw/zinc/36/87/76/1134368776.db2.gz NVMOMVWLGSRYNP-DOTOQJQBSA-N 0 3 344.421 3.668 20 10 EHCDHN Fc1cc(CNCc2ccc(C3CC3)cc2)ccc1N1CCOCC1 ZINC000790995526 1134490525 /nfs/dbraw/zinc/49/05/25/1134490525.db2.gz QLWMEKAFJPCLEN-UHFFFAOYSA-N 0 3 340.442 3.830 20 10 EHCDHN CC[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000775491123 1134936773 /nfs/dbraw/zinc/93/67/73/1134936773.db2.gz YNIMIGKGNGWKSR-ZWKOTPCHSA-N 0 3 326.440 3.653 20 10 EHCDHN COc1ncc([C@@H](C)NCc2ccc(N(C)C)cc2C)cc1Cl ZINC000793542918 1134951536 /nfs/dbraw/zinc/95/15/36/1134951536.db2.gz RTLJKEUIXXHQJA-CYBMUJFWSA-N 0 3 333.863 3.969 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC2(CCC2)CO1 ZINC001192012771 1134956240 /nfs/dbraw/zinc/95/62/40/1134956240.db2.gz JYYZYMCCVOLHDP-RTBURBONSA-N 0 3 345.483 3.723 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC2(CCC2)CO1 ZINC001192012771 1134956244 /nfs/dbraw/zinc/95/62/44/1134956244.db2.gz JYYZYMCCVOLHDP-RTBURBONSA-N 0 3 345.483 3.723 20 10 EHCDHN CC[C@@H]([NH2+][C@H](CN(C)C)c1ccc(OC)cc1)c1ccccc1[O-] ZINC000793573640 1134970840 /nfs/dbraw/zinc/97/08/40/1134970840.db2.gz SADMORLOLQMSQK-RTBURBONSA-N 0 3 328.456 3.744 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1[O-] ZINC000808676615 1135714063 /nfs/dbraw/zinc/71/40/63/1135714063.db2.gz OXEMSUVHGPVSAM-LLVKDONJSA-N 0 3 338.801 3.889 20 10 EHCDHN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808674187 1135714255 /nfs/dbraw/zinc/71/42/55/1135714255.db2.gz OHFILVNSIDTMQO-SJCJKPOMSA-N 0 3 335.831 3.747 20 10 EHCDHN CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808675603 1135714304 /nfs/dbraw/zinc/71/43/04/1135714304.db2.gz MRLLNOQQTVWANZ-LBPRGKRZSA-N 0 3 332.831 3.564 20 10 EHCDHN CSC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000808706071 1135716444 /nfs/dbraw/zinc/71/64/44/1135716444.db2.gz CVTNJZGFLYGQPF-GFCCVEGCSA-N 0 3 329.893 3.917 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)c1[O-] ZINC000808708335 1135717404 /nfs/dbraw/zinc/71/74/04/1135717404.db2.gz KJXAWCZGDBFBSO-LBPRGKRZSA-N 0 3 331.847 3.915 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000808715812 1135720725 /nfs/dbraw/zinc/72/07/25/1135720725.db2.gz XJUQYPUBFIPGMN-LLVKDONJSA-N 0 3 337.876 3.550 20 10 EHCDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C)cc1[O-] ZINC000810248114 1135947694 /nfs/dbraw/zinc/94/76/94/1135947694.db2.gz OXNKXRPNJYZDKQ-SVFBPWRDSA-N 0 3 325.452 3.908 20 10 EHCDHN CC(C)(C)c1cc(O)c(O)c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000811791795 1136140976 /nfs/dbraw/zinc/14/09/76/1136140976.db2.gz VRBLOVBNKBJDEG-IEBWSBKVSA-N 0 3 345.483 3.929 20 10 EHCDHN Cc1cc(C)c([C@@H](C)NCc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850485478 1136268069 /nfs/dbraw/zinc/26/80/69/1136268069.db2.gz JTYQREFOQVBJRX-LLVKDONJSA-N 0 3 325.334 3.669 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1[O-] ZINC000850545887 1136283164 /nfs/dbraw/zinc/28/31/64/1136283164.db2.gz UJFAUBGIBDXXNY-YPMHNXCESA-N 0 3 342.277 3.522 20 10 EHCDHN CC[C@H](NCc1c(C2CCC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850550774 1136283944 /nfs/dbraw/zinc/28/39/44/1136283944.db2.gz OFDFLOUBNZFDDE-IBGZPJMESA-N 0 3 326.488 3.995 20 10 EHCDHN COc1ccccc1-c1cc(CN[C@H]2CCc3cccc(O)c32)on1 ZINC000850582598 1136292733 /nfs/dbraw/zinc/29/27/33/1136292733.db2.gz FTKOTAIIUCRCJV-INIZCTEOSA-N 0 3 336.391 3.833 20 10 EHCDHN CCOc1ccc(CN[C@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853093658 1136508223 /nfs/dbraw/zinc/50/82/23/1136508223.db2.gz ILDQJMLEGRZFEU-SFHVURJKSA-N 0 3 349.434 3.754 20 10 EHCDHN Cc1cc(O)c(CN2CC3(CCOCC3)[C@@H]2c2ccco2)cc1C ZINC000853552126 1136543732 /nfs/dbraw/zinc/54/37/32/1136543732.db2.gz VYUJULBCCRLMBO-IBGZPJMESA-N 0 3 327.424 3.956 20 10 EHCDHN Cc1cc(CNC(C)(C)C(=O)Nc2ccccc2)ccc1N(C)C ZINC000815072878 1136547269 /nfs/dbraw/zinc/54/72/69/1136547269.db2.gz CTOOXBFAYDNIDC-UHFFFAOYSA-N 0 3 325.456 3.568 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000815588408 1136615092 /nfs/dbraw/zinc/61/50/92/1136615092.db2.gz NMHDBORATKKCTD-QUCCMNQESA-N 0 3 347.462 3.936 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000815620489 1136619755 /nfs/dbraw/zinc/61/97/55/1136619755.db2.gz SKMOJCSXPRHOEE-UQASEVPWSA-N 0 3 343.442 3.965 20 10 EHCDHN Cc1csc(N2CC[NH+](Cc3ccc4ccccc4c3[O-])CC2)n1 ZINC000816486134 1136723428 /nfs/dbraw/zinc/72/34/28/1136723428.db2.gz PRRVNASOOBEITL-UHFFFAOYSA-N 0 3 339.464 3.633 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000816565906 1136737681 /nfs/dbraw/zinc/73/76/81/1136737681.db2.gz FXWDFJCGVQQKTB-CHWSQXEVSA-N 0 3 340.870 3.927 20 10 EHCDHN c1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CCC2)nc1 ZINC000858237411 1136951455 /nfs/dbraw/zinc/95/14/55/1136951455.db2.gz JKUVCGICUNIWHT-OAQYLSRUSA-N 0 3 337.467 3.549 20 10 EHCDHN Cc1nn2c(CNCc3cc(C)ccc3O)c(C(C)C)nc2s1 ZINC000858238753 1136951553 /nfs/dbraw/zinc/95/15/53/1136951553.db2.gz CRQRIAZMTUOJKL-UHFFFAOYSA-N 0 3 330.457 3.526 20 10 EHCDHN CCOc1c(CNCc2cc(C)ccc2O)c(C)nn1CC(C)C ZINC000858238000 1136951621 /nfs/dbraw/zinc/95/16/21/1136951621.db2.gz SCCBYSFSUARNMR-UHFFFAOYSA-N 0 3 331.460 3.550 20 10 EHCDHN CO[C@@H](CN[C@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000777012739 1136953786 /nfs/dbraw/zinc/95/37/86/1136953786.db2.gz ROVURALZDALDRH-CJNGLKHVSA-N 0 3 330.394 3.905 20 10 EHCDHN COc1ccc(N2CCC(N[C@H]3CCCc4scnc43)CC2)cc1 ZINC000858359291 1136961466 /nfs/dbraw/zinc/96/14/66/1136961466.db2.gz DRTSKGSJEKEVIC-KRWDZBQOSA-N 0 3 343.496 3.788 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1[O-] ZINC000858453220 1136969537 /nfs/dbraw/zinc/96/95/37/1136969537.db2.gz TYTLNEJYQJKLTC-VIFPVBQESA-N 0 3 347.768 3.957 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)NCc2c(C(F)(F)F)cnn2C)c1O ZINC000858453220 1136969539 /nfs/dbraw/zinc/96/95/39/1136969539.db2.gz TYTLNEJYQJKLTC-VIFPVBQESA-N 0 3 347.768 3.957 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccccc1[O-] ZINC000858476268 1136971392 /nfs/dbraw/zinc/97/13/92/1136971392.db2.gz KOKAICNPLBARLQ-PBHICJAKSA-N 0 3 346.471 3.975 20 10 EHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc(CO)ccc1F ZINC000859082353 1137002402 /nfs/dbraw/zinc/00/24/02/1137002402.db2.gz WPFYHQUDXAZEHD-UHFFFAOYSA-N 0 3 330.447 3.795 20 10 EHCDHN COc1ccc(N2CCN([C@@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001170986579 1137059383 /nfs/dbraw/zinc/05/93/83/1137059383.db2.gz UYPWZLCQLBZZEQ-GOSISDBHSA-N 0 3 340.442 3.514 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cnn2c1CCC2)C1CCCCC1 ZINC000824484575 1137139716 /nfs/dbraw/zinc/13/97/16/1137139716.db2.gz MLAQHOFDLAKFKB-UHFFFAOYSA-N 0 3 325.456 3.870 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnn2c1CCC2)C1CCCCC1 ZINC000824484575 1137139717 /nfs/dbraw/zinc/13/97/17/1137139717.db2.gz MLAQHOFDLAKFKB-UHFFFAOYSA-N 0 3 325.456 3.870 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1(CF)CCOCC1 ZINC000824691137 1137148392 /nfs/dbraw/zinc/14/83/92/1137148392.db2.gz UYXFJRWOQCXRIY-UHFFFAOYSA-N 0 3 345.414 3.580 20 10 EHCDHN COc1ccc([C@H]2CC[N@H+](Cc3c([O-])cccc3OC)C2)cc1F ZINC000862540518 1137149169 /nfs/dbraw/zinc/14/91/69/1137149169.db2.gz FFGSQQRIGJVRFH-AWEZNQCLSA-N 0 3 331.387 3.538 20 10 EHCDHN COc1ccc([C@H]2CC[N@@H+](Cc3c([O-])cccc3OC)C2)cc1F ZINC000862540518 1137149171 /nfs/dbraw/zinc/14/91/71/1137149171.db2.gz FFGSQQRIGJVRFH-AWEZNQCLSA-N 0 3 331.387 3.538 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccccc1[O-] ZINC000825117462 1137166416 /nfs/dbraw/zinc/16/64/16/1137166416.db2.gz DQYHRQFHRIQESE-QFHJOOASSA-N 0 3 343.471 3.827 20 10 EHCDHN Cc1noc(C)c1CCN(Cc1ccco1)Cc1ccccc1O ZINC000119333274 1137174925 /nfs/dbraw/zinc/17/49/25/1137174925.db2.gz SKBXGPFAWMQEKC-UHFFFAOYSA-N 0 3 326.396 3.835 20 10 EHCDHN CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H](CC)CO1 ZINC000844384166 1137215866 /nfs/dbraw/zinc/21/58/66/1137215866.db2.gz CCYLIQUWUCGFLN-AZUAARDMSA-N 0 3 346.515 3.691 20 10 EHCDHN CC[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794800606 1137252160 /nfs/dbraw/zinc/25/21/60/1137252160.db2.gz DJQAZLGOSUFINS-RTBURBONSA-N 0 3 340.467 3.961 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000794808747 1137259242 /nfs/dbraw/zinc/25/92/42/1137259242.db2.gz BXGGUGSINPFQCC-FUHWJXTLSA-N 0 3 330.472 3.532 20 10 EHCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794816927 1137265512 /nfs/dbraw/zinc/26/55/12/1137265512.db2.gz RUZVGSYYMJBKSA-QAPCUYQASA-N 0 3 348.487 3.998 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794819178 1137266205 /nfs/dbraw/zinc/26/62/05/1137266205.db2.gz VTFBRLCFGDCRCK-ZYSHUDEJSA-N 0 3 338.451 3.935 20 10 EHCDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000845970625 1137322238 /nfs/dbraw/zinc/32/22/38/1137322238.db2.gz ANTSDLQENYLKFR-SNVBAGLBSA-N 0 3 337.803 3.619 20 10 EHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)cc1C(C)C ZINC000794903632 1137332787 /nfs/dbraw/zinc/33/27/87/1137332787.db2.gz VCXPGKDLHAEYIU-OXJNMPFZSA-N 0 3 333.472 3.594 20 10 EHCDHN COc1cccc([C@H](C)NCc2ccc(C)nc2N2CCCC2)c1O ZINC000846162465 1137337102 /nfs/dbraw/zinc/33/71/02/1137337102.db2.gz HVGXHVWLFVDVHS-HNNXBMFYSA-N 0 3 341.455 3.555 20 10 EHCDHN COc1cccc([C@@H](C)NCc2c(F)cccc2N2CCCC2)c1O ZINC000846173981 1137337821 /nfs/dbraw/zinc/33/78/21/1137337821.db2.gz VQCYFVCJUOYEHQ-CQSZACIVSA-N 0 3 344.430 3.991 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846180937 1137339940 /nfs/dbraw/zinc/33/99/40/1137339940.db2.gz OOPANKCGVAUHMB-IERDGZPVSA-N 0 3 325.452 3.536 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(C)cc1[O-] ZINC000846214593 1137341757 /nfs/dbraw/zinc/34/17/57/1137341757.db2.gz HUEBKNHKWNMPQN-SJORKVTESA-N 0 3 326.440 3.518 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccccc1[O-] ZINC000121087741 1137359456 /nfs/dbraw/zinc/35/94/56/1137359456.db2.gz OQKBRYICETUVCE-AWEZNQCLSA-N 0 3 340.345 3.969 20 10 EHCDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000122445551 1137439443 /nfs/dbraw/zinc/43/94/43/1137439443.db2.gz YZXCCCZVULSIQZ-CYBMUJFWSA-N 0 3 331.391 3.959 20 10 EHCDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000773121417 1137466805 /nfs/dbraw/zinc/46/68/05/1137466805.db2.gz ZHGXXQUNECZGPZ-MLGOLLRUSA-N 0 3 348.384 3.780 20 10 EHCDHN COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccccc1[O-])CCCC2 ZINC000872032114 1137566420 /nfs/dbraw/zinc/56/64/20/1137566420.db2.gz WYTBMXQGYMOMTR-KRWDZBQOSA-N 0 3 327.424 3.967 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c([O-])c1 ZINC000876989084 1137667171 /nfs/dbraw/zinc/66/71/71/1137667171.db2.gz OGYZLISAYIVVSP-INIZCTEOSA-N 0 3 330.497 3.764 20 10 EHCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3ccns3)C2)cc1 ZINC000877071479 1137669403 /nfs/dbraw/zinc/66/94/03/1137669403.db2.gz OYLLSQSEAWXOMF-LBPRGKRZSA-N 0 3 339.411 3.503 20 10 EHCDHN Cc1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000877549714 1137681029 /nfs/dbraw/zinc/68/10/29/1137681029.db2.gz HNJWUPHHVXWMLG-UHFFFAOYSA-N 0 3 329.415 3.721 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c([O-])c1 ZINC000877612446 1137682966 /nfs/dbraw/zinc/68/29/66/1137682966.db2.gz IYWLJSQQJAIEFB-YOEHRIQHSA-N 0 3 341.455 3.662 20 10 EHCDHN C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)c1ccccc1[O-] ZINC000879649764 1137753607 /nfs/dbraw/zinc/75/36/07/1137753607.db2.gz GOEHPCRXEGHETG-YVEFUNNKSA-N 0 3 328.437 3.546 20 10 EHCDHN C[C@@H](NCc1cccc(Cl)c1N)c1ccc(N2CCOCC2)cc1 ZINC000882923907 1137838694 /nfs/dbraw/zinc/83/86/94/1137838694.db2.gz QCRYKJUSMLWWLB-CQSZACIVSA-N 0 3 345.874 3.610 20 10 EHCDHN CCN1CCN(c2ccccc2N[C@@H](C)c2ccccc2O)CC1 ZINC000183669379 1140052952 /nfs/dbraw/zinc/05/29/52/1140052952.db2.gz IJDLHJOYMKLAQA-INIZCTEOSA-N 0 3 325.456 3.707 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000185160792 1140138126 /nfs/dbraw/zinc/13/81/26/1140138126.db2.gz HCOMBKKAHGSQRM-OLZOCXBDSA-N 0 3 344.386 3.900 20 10 EHCDHN CCCOc1ccc(CN[C@H]2CCOc3c(F)cccc32)c(O)c1 ZINC000191120090 1140436877 /nfs/dbraw/zinc/43/68/77/1140436877.db2.gz NMHNQWVDRUHKCI-KRWDZBQOSA-N 0 3 331.387 3.934 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c([O-])c1 ZINC000191120090 1140436880 /nfs/dbraw/zinc/43/68/80/1140436880.db2.gz NMHNQWVDRUHKCI-KRWDZBQOSA-N 0 3 331.387 3.934 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000268837833 1141004141 /nfs/dbraw/zinc/00/41/41/1141004141.db2.gz QANJQYUHFPOENQ-AWEZNQCLSA-N 0 3 343.427 3.910 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1 ZINC000268856920 1141009479 /nfs/dbraw/zinc/00/94/79/1141009479.db2.gz RCVKEIOKCRITGW-CQSZACIVSA-N 0 3 346.421 3.777 20 10 EHCDHN CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccccc1[O-] ZINC000155823814 1019899360 /nfs/dbraw/zinc/89/93/60/1019899360.db2.gz JXSSMOZNIIGTCW-INIZCTEOSA-N 0 3 332.831 3.516 20 10 EHCDHN CC[C@H](NCc1c(OC)cc(OC)cc1OC)c1ccc(C)cc1O ZINC000280208181 1020179568 /nfs/dbraw/zinc/17/95/68/1020179568.db2.gz TZHYYGVPXOYIAT-KRWDZBQOSA-N 0 3 345.439 3.967 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(C)cc1[O-] ZINC000280218903 1020190216 /nfs/dbraw/zinc/19/02/16/1020190216.db2.gz UPOIPNQETVILKC-LJQANCHMSA-N 0 3 338.451 3.834 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000096971025 1021078917 /nfs/dbraw/zinc/07/89/17/1021078917.db2.gz CAHYSJIJBIZZCB-IBGZPJMESA-N 0 3 345.414 3.591 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000096971025 1021078925 /nfs/dbraw/zinc/07/89/25/1021078925.db2.gz CAHYSJIJBIZZCB-IBGZPJMESA-N 0 3 345.414 3.591 20 10 EHCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000290388935 1022008532 /nfs/dbraw/zinc/00/85/32/1022008532.db2.gz IORZKGFNKPSQOI-QGZVFWFLSA-N 0 3 329.444 3.858 20 10 EHCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([O-])c1 ZINC000290388935 1022008550 /nfs/dbraw/zinc/00/85/50/1022008550.db2.gz IORZKGFNKPSQOI-QGZVFWFLSA-N 0 3 329.444 3.858 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1[O-] ZINC000278757260 1023391993 /nfs/dbraw/zinc/39/19/93/1023391993.db2.gz XHMUODUNDKSWLI-IJEWVQPXSA-N 0 3 334.460 3.688 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000895822870 1024877377 /nfs/dbraw/zinc/87/73/77/1024877377.db2.gz MPSUOQOTEOISIO-CQSZACIVSA-N 0 3 332.469 3.620 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000895822870 1024877385 /nfs/dbraw/zinc/87/73/85/1024877385.db2.gz MPSUOQOTEOISIO-CQSZACIVSA-N 0 3 332.469 3.620 20 10 EHCDHN COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000273621379 1027522694 /nfs/dbraw/zinc/52/26/94/1027522694.db2.gz ZDCACFPNWXRTAA-CVEARBPZSA-N 0 3 326.440 3.639 20 10 EHCDHN COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000273621390 1027522771 /nfs/dbraw/zinc/52/27/71/1027522771.db2.gz ZDCACFPNWXRTAA-JKSUJKDBSA-N 0 3 326.440 3.639 20 10 EHCDHN COCC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccco1 ZINC000273712750 1027575087 /nfs/dbraw/zinc/57/50/87/1027575087.db2.gz GNCSVNDGIWDNTO-CYBMUJFWSA-N 0 3 325.792 3.515 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000729685763 1028781361 /nfs/dbraw/zinc/78/13/61/1028781361.db2.gz OIIKIUQBBFRJKS-NRFANRHFSA-N 0 3 333.431 3.752 20 10 EHCDHN CCC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccccc1[O-] ZINC000092704981 1030500672 /nfs/dbraw/zinc/50/06/72/1030500672.db2.gz HKXZASZPTFOFSB-UHFFFAOYSA-N 0 3 336.439 3.600 20 10 EHCDHN CCC[N@@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccccc1[O-] ZINC000092704981 1030500680 /nfs/dbraw/zinc/50/06/80/1030500680.db2.gz HKXZASZPTFOFSB-UHFFFAOYSA-N 0 3 336.439 3.600 20 10 EHCDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000093453351 1030612879 /nfs/dbraw/zinc/61/28/79/1030612879.db2.gz YPERELLDHXDBBB-NRFANRHFSA-N 0 3 337.467 3.564 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccc(OC)cc1)c1ccccc1[O-] ZINC000527964487 1031531246 /nfs/dbraw/zinc/53/12/46/1031531246.db2.gz CLTHZQYZDONRHG-FXAWDEMLSA-N 0 3 340.467 3.716 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c([O-])c1 ZINC000898176770 1033376997 /nfs/dbraw/zinc/37/69/97/1033376997.db2.gz CQUAZWONPSHSMO-AWEZNQCLSA-N 0 3 329.444 3.638 20 10 EHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000182650775 1038623387 /nfs/dbraw/zinc/62/33/87/1038623387.db2.gz AVGDPZWOSDQSNX-LJQANCHMSA-N 0 3 339.435 3.646 20 10 EHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccccc1 ZINC000182650775 1038623394 /nfs/dbraw/zinc/62/33/94/1038623394.db2.gz AVGDPZWOSDQSNX-LJQANCHMSA-N 0 3 339.435 3.646 20 10 EHCDHN COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000185481204 1039120112 /nfs/dbraw/zinc/12/01/12/1039120112.db2.gz ULQIZQZIODDFJZ-GOEBONIOSA-N 0 3 344.430 3.860 20 10 EHCDHN COc1ccc([C@@H](C[NH2+]Cc2ccccc2[O-])N2CCCCC2)cc1 ZINC000237498715 1039377756 /nfs/dbraw/zinc/37/77/56/1039377756.db2.gz RJLZMICHNNKRTQ-HXUWFJFHSA-N 0 3 340.467 3.718 20 10 EHCDHN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000152594850 1039722589 /nfs/dbraw/zinc/72/25/89/1039722589.db2.gz DANMYJUIUGBABQ-KRWDZBQOSA-N 0 3 334.467 3.848 20 10 EHCDHN COc1ccc(CN(C)Cc2ccc(F)c(Cl)c2)c(O)c1OC ZINC000894037818 1039998136 /nfs/dbraw/zinc/99/81/36/1039998136.db2.gz FJTGGJNUTZOAJH-UHFFFAOYSA-N 0 3 339.794 3.834 20 10 EHCDHN COc1nc(C)cc(C)c1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756531907 1040027415 /nfs/dbraw/zinc/02/74/15/1040027415.db2.gz BPJLWNHRTHJCFB-NHYWBVRUSA-N 0 3 330.403 3.890 20 10 EHCDHN COc1nc(C)cc(C)c1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756531907 1040027434 /nfs/dbraw/zinc/02/74/34/1040027434.db2.gz BPJLWNHRTHJCFB-NHYWBVRUSA-N 0 3 330.403 3.890 20 10 EHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(C)(C)O)cc1 ZINC000924862279 1040200396 /nfs/dbraw/zinc/20/03/96/1040200396.db2.gz QDNOOECRBTYLSX-CQSZACIVSA-N 0 3 330.447 3.970 20 10 EHCDHN COc1cc(CN2CCC[C@H](OC(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000781149611 1125604587 /nfs/dbraw/zinc/60/45/87/1125604587.db2.gz OAKYPFIYGVLWCF-ZDUSSCGKSA-N 0 3 343.414 3.902 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1cc(F)ccc1[O-] ZINC000184885405 1126707046 /nfs/dbraw/zinc/70/70/46/1126707046.db2.gz CQSBNPDBXHMPGT-QWHCGFSZSA-N 0 3 326.375 3.524 20 10 EHCDHN [O-]c1c(CNc2[nH+]ccc3c2CCN3)cc(Cl)c2cccnc12 ZINC001168527445 1126820321 /nfs/dbraw/zinc/82/03/21/1126820321.db2.gz IGOOVAVMZUITIH-UHFFFAOYSA-N 0 3 326.787 3.569 20 10 EHCDHN COc1cc(OC)c(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c(OC)c1 ZINC000185401375 1126885988 /nfs/dbraw/zinc/88/59/88/1126885988.db2.gz QXFZXNRJUQSMBE-AWEZNQCLSA-N 0 3 345.439 3.620 20 10 EHCDHN C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cc(F)ccc1[O-] ZINC000186061906 1127246740 /nfs/dbraw/zinc/24/67/40/1127246740.db2.gz NZPSPFVGOGGXLN-GFCCVEGCSA-N 0 3 343.427 3.943 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC000368365601 1127414901 /nfs/dbraw/zinc/41/49/01/1127414901.db2.gz SOCGDHNUYGPFNW-RHSMWYFYSA-N 0 3 346.471 3.832 20 10 EHCDHN Cc1cc(O)c(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)cc1C ZINC000734481550 1131239726 /nfs/dbraw/zinc/23/97/26/1131239726.db2.gz VPDWIJQIQUYMST-IBGZPJMESA-N 0 3 338.451 3.636 20 10 EHCDHN C[C@@H](c1ccsc1)N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000765720230 1127738345 /nfs/dbraw/zinc/73/83/45/1127738345.db2.gz PYEFBYWUBAMVOX-ZDUSSCGKSA-N 0 3 336.888 3.986 20 10 EHCDHN COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665238 1128745474 /nfs/dbraw/zinc/74/54/74/1128745474.db2.gz NRZPMFUCNCPERH-UWJYYQICSA-N 0 3 339.435 3.679 20 10 EHCDHN COc1ccc([C@@H]2C[C@@H]([N@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665238 1128745475 /nfs/dbraw/zinc/74/54/75/1128745475.db2.gz NRZPMFUCNCPERH-UWJYYQICSA-N 0 3 339.435 3.679 20 10 EHCDHN Cn1ccnc1C[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921802818 1128775035 /nfs/dbraw/zinc/77/50/35/1128775035.db2.gz YJXGQLVTECALAS-FQEVSTJZSA-N 0 3 347.462 3.819 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000762468906 1121313316 /nfs/dbraw/zinc/31/33/16/1121313316.db2.gz XUCCYGLFTPTCEY-HKUYNNGSSA-N 0 3 325.408 3.545 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000762468906 1121313326 /nfs/dbraw/zinc/31/33/26/1121313326.db2.gz XUCCYGLFTPTCEY-HKUYNNGSSA-N 0 3 325.408 3.545 20 10 EHCDHN C[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCN1CC(F)(F)F ZINC000762508528 1121334100 /nfs/dbraw/zinc/33/41/00/1121334100.db2.gz OSDDMIQKSMOUAA-CYBMUJFWSA-N 0 3 338.373 3.614 20 10 EHCDHN COc1cc(Br)cc(C[N@H+](C)Cc2ccccc2)c1[O-] ZINC000154460598 1122654441 /nfs/dbraw/zinc/65/44/41/1122654441.db2.gz VLTLIGDZLNMZMH-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+](C)Cc2ccccc2)c1[O-] ZINC000154460598 1122654447 /nfs/dbraw/zinc/65/44/47/1122654447.db2.gz VLTLIGDZLNMZMH-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000734844148 1131285025 /nfs/dbraw/zinc/28/50/25/1131285025.db2.gz WBBRIRSBWKWXRN-OAQYLSRUSA-N 0 3 333.431 3.752 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2C2CCCC2)c1 ZINC000922217720 1129369904 /nfs/dbraw/zinc/36/99/04/1129369904.db2.gz WLLWOPUYGWDIQB-CYBMUJFWSA-N 0 3 329.444 3.643 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1[O-] ZINC000735668113 1131371263 /nfs/dbraw/zinc/37/12/63/1131371263.db2.gz PACHGXOVVGUEOJ-STQMWFEESA-N 0 3 345.464 3.658 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1[O-] ZINC000735668113 1131371267 /nfs/dbraw/zinc/37/12/67/1131371267.db2.gz PACHGXOVVGUEOJ-STQMWFEESA-N 0 3 345.464 3.658 20 10 EHCDHN CO[C@](C)(C[NH2+][C@H]1CCc2cccc([O-])c21)COCc1ccccc1 ZINC000702790742 1130245443 /nfs/dbraw/zinc/24/54/43/1130245443.db2.gz PRHQHEBEKOWQEA-GHTZIAJQSA-N 0 3 341.451 3.591 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@H](C)c1cc(F)ccc1[O-])COCc1ccccc1 ZINC000702801136 1130249584 /nfs/dbraw/zinc/24/95/84/1130249584.db2.gz DYLVHRYOTSINMA-QRWLVFNGSA-N 0 3 347.430 3.804 20 10 EHCDHN C[C@@H](NCc1cncc(Br)c1)c1ccc(N(C)C)cc1 ZINC000703019360 1130268819 /nfs/dbraw/zinc/26/88/19/1130268819.db2.gz FMOYWOCOJUUFNH-GFCCVEGCSA-N 0 3 334.261 3.761 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(OC)cc23)c([O-])c1 ZINC000733327262 1131027896 /nfs/dbraw/zinc/02/78/96/1131027896.db2.gz CFBYWKHGVASOAL-UHFFFAOYSA-N 0 3 340.423 3.613 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000733334982 1131027986 /nfs/dbraw/zinc/02/79/86/1131027986.db2.gz WRXKFWGKRRIHRS-GOSISDBHSA-N 0 3 348.849 3.939 20 10 EHCDHN CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743375622 1131912917 /nfs/dbraw/zinc/91/29/17/1131912917.db2.gz IZYZZJCMIZSGNV-LJQANCHMSA-N 0 3 347.462 3.647 20 10 EHCDHN CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743375622 1131912926 /nfs/dbraw/zinc/91/29/26/1131912926.db2.gz IZYZZJCMIZSGNV-LJQANCHMSA-N 0 3 347.462 3.647 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872190 1132593650 /nfs/dbraw/zinc/59/36/50/1132593650.db2.gz LJNSFYSMQSQRED-ZBFHGGJFSA-N 0 3 334.460 3.612 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872190 1132593653 /nfs/dbraw/zinc/59/36/53/1132593653.db2.gz LJNSFYSMQSQRED-ZBFHGGJFSA-N 0 3 334.460 3.612 20 10 EHCDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc2c(c1)CCCN2C ZINC001177529918 1133075718 /nfs/dbraw/zinc/07/57/18/1133075718.db2.gz UUJPVQGHOMKKSM-UHFFFAOYSA-N 0 3 339.439 3.884 20 10 EHCDHN CCc1ccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C2CC2)cc1 ZINC000768439158 1133138004 /nfs/dbraw/zinc/13/80/04/1133138004.db2.gz IMOBSFKHMCKQMB-FQEVSTJZSA-N 0 3 339.435 3.545 20 10 EHCDHN CCc1ccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C2CC2)cc1 ZINC000768439158 1133138008 /nfs/dbraw/zinc/13/80/08/1133138008.db2.gz IMOBSFKHMCKQMB-FQEVSTJZSA-N 0 3 339.435 3.545 20 10 EHCDHN Cc1cccc(C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC(C)C)c1 ZINC000768438996 1133138365 /nfs/dbraw/zinc/13/83/65/1133138365.db2.gz CTFNFPJQSTVUDS-FQEVSTJZSA-N 0 3 341.451 3.785 20 10 EHCDHN Cc1cccc(C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC(C)C)c1 ZINC000768438996 1133138370 /nfs/dbraw/zinc/13/83/70/1133138370.db2.gz CTFNFPJQSTVUDS-FQEVSTJZSA-N 0 3 341.451 3.785 20 10 EHCDHN CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447941 1133140497 /nfs/dbraw/zinc/14/04/97/1133140497.db2.gz RSHOCHWQVMVTPO-UYAOXDASSA-N 0 3 327.424 3.647 20 10 EHCDHN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447941 1133140501 /nfs/dbraw/zinc/14/05/01/1133140501.db2.gz RSHOCHWQVMVTPO-UYAOXDASSA-N 0 3 327.424 3.647 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(C1)CCCCCC3)[C@@H](O)CO2 ZINC000768466732 1133145013 /nfs/dbraw/zinc/14/50/13/1133145013.db2.gz VRSHOCIGYRBUQE-SFHVURJKSA-N 0 3 331.456 3.754 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(C1)CCCCCC3)[C@@H](O)CO2 ZINC000768466732 1133145022 /nfs/dbraw/zinc/14/50/22/1133145022.db2.gz VRSHOCIGYRBUQE-SFHVURJKSA-N 0 3 331.456 3.754 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000768524766 1133149726 /nfs/dbraw/zinc/14/97/26/1133149726.db2.gz QEEILHADRSSNSK-UHFFFAOYSA-N 0 3 341.451 3.842 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000768524766 1133149728 /nfs/dbraw/zinc/14/97/28/1133149728.db2.gz QEEILHADRSSNSK-UHFFFAOYSA-N 0 3 341.451 3.842 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)c([O-])c1 ZINC000768528589 1133150433 /nfs/dbraw/zinc/15/04/33/1133150433.db2.gz VQJYMIOHFCHZBO-UHFFFAOYSA-N 0 3 327.424 3.834 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c([O-])c1 ZINC000769036473 1133217356 /nfs/dbraw/zinc/21/73/56/1133217356.db2.gz WUDDSUQTVKSVET-HXUWFJFHSA-N 0 3 341.451 3.972 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c([O-])c1 ZINC000769036473 1133217364 /nfs/dbraw/zinc/21/73/64/1133217364.db2.gz WUDDSUQTVKSVET-HXUWFJFHSA-N 0 3 341.451 3.972 20 10 EHCDHN CC(C)[C@H](O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001179244153 1133239164 /nfs/dbraw/zinc/23/91/64/1133239164.db2.gz XDJILLCMPSYDNA-RTWAWAEBSA-N 0 3 325.452 3.859 20 10 EHCDHN Cc1ccc(N2CC[N@H+](Cc3cc(F)ccc3[O-])[C@H](C)C2)cc1C ZINC001180167017 1133341753 /nfs/dbraw/zinc/34/17/53/1133341753.db2.gz YXQBVKMWJLBZHR-MRXNPFEDSA-N 0 3 328.431 3.859 20 10 EHCDHN Cc1ccc(N2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@H](C)C2)cc1C ZINC001180167017 1133341760 /nfs/dbraw/zinc/34/17/60/1133341760.db2.gz YXQBVKMWJLBZHR-MRXNPFEDSA-N 0 3 328.431 3.859 20 10 EHCDHN Cc1ccc(C[NH2+][C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001183683333 1133839881 /nfs/dbraw/zinc/83/98/81/1133839881.db2.gz BKZVCGNLKNINAI-YLJYHZDGSA-N 0 3 346.471 3.722 20 10 EHCDHN Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000786585481 1133870923 /nfs/dbraw/zinc/87/09/23/1133870923.db2.gz WLDHLDJNGJLAFQ-LXZKKBNFSA-N 0 3 329.415 3.581 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1cc(F)ccc1[O-] ZINC000787029399 1133939881 /nfs/dbraw/zinc/93/98/81/1133939881.db2.gz XNIXMAWDOOFIJO-JDNHERCYSA-N 0 3 327.758 3.708 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOc1ncccc1F ZINC000746754998 1134154341 /nfs/dbraw/zinc/15/43/41/1134154341.db2.gz OMULPEQUYAYFSM-UHFFFAOYSA-N 0 3 338.382 3.762 20 10 EHCDHN C[C@H]([NH2+]CCOc1ccc(Br)cc1)c1ccccc1[O-] ZINC000775128397 1134346545 /nfs/dbraw/zinc/34/65/45/1134346545.db2.gz ATSWZIVWQRSCHO-LBPRGKRZSA-N 0 3 336.229 3.884 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790736004 1134459892 /nfs/dbraw/zinc/45/98/92/1134459892.db2.gz HKBMGCRQXWEZOZ-KBXCAEBGSA-N 0 3 335.394 3.562 20 10 EHCDHN CC[C@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCOC1 ZINC000792192527 1134666271 /nfs/dbraw/zinc/66/62/71/1134666271.db2.gz LMMUXNRVAUFCKG-FQEVSTJZSA-N 0 3 327.424 3.630 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccccc1[O-] ZINC000775412924 1134751723 /nfs/dbraw/zinc/75/17/23/1134751723.db2.gz SCBIOSBSCUZCER-VKJFTORMSA-N 0 3 338.451 3.799 20 10 EHCDHN C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775433768 1134789424 /nfs/dbraw/zinc/78/94/24/1134789424.db2.gz CUJZSZPRUKOHHD-OAHLLOKOSA-N 0 3 340.471 3.697 20 10 EHCDHN Cc1ccc(CCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000792767798 1134791809 /nfs/dbraw/zinc/79/18/09/1134791809.db2.gz WMTSOACVOATBSG-FQEVSTJZSA-N 0 3 340.467 3.709 20 10 EHCDHN Cc1ccc(CCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000792767798 1134791816 /nfs/dbraw/zinc/79/18/16/1134791816.db2.gz WMTSOACVOATBSG-FQEVSTJZSA-N 0 3 340.467 3.709 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)CC1CCC1 ZINC000793324470 1134904568 /nfs/dbraw/zinc/90/45/68/1134904568.db2.gz ZYSZVBZERNNONY-IBGZPJMESA-N 0 3 341.451 3.612 20 10 EHCDHN CN1CC[C@@]2(CC[N@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)C1 ZINC000793767097 1134986563 /nfs/dbraw/zinc/98/65/63/1134986563.db2.gz NLSBACKJBBPKKL-OAQYLSRUSA-N 0 3 336.435 3.819 20 10 EHCDHN CN1CC[C@@]2(CC[N@@H+](Cc3cc4oc5ccccc5c4cc3[O-])C2)C1 ZINC000793767097 1134986568 /nfs/dbraw/zinc/98/65/68/1134986568.db2.gz NLSBACKJBBPKKL-OAQYLSRUSA-N 0 3 336.435 3.819 20 10 EHCDHN Cc1cc(Br)cc(CN2CC[C@@H](OCC(C)C)C2)c1O ZINC000775737072 1135593764 /nfs/dbraw/zinc/59/37/64/1135593764.db2.gz AHRQLYJCHBJEIQ-OAHLLOKOSA-N 0 3 342.277 3.710 20 10 EHCDHN C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[O-] ZINC000808727967 1135724155 /nfs/dbraw/zinc/72/41/55/1135724155.db2.gz LNTZTQDUVMGXDQ-LBPRGKRZSA-N 0 3 325.368 3.675 20 10 EHCDHN CCCCN(Cc1ncc(CN(C)C)s1)Cc1ccccc1O ZINC000809662859 1135870306 /nfs/dbraw/zinc/87/03/06/1135870306.db2.gz GKWHZVAFTIXNSK-UHFFFAOYSA-N 0 3 333.501 3.713 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c([O-])c1 ZINC000809712550 1135875934 /nfs/dbraw/zinc/87/59/34/1135875934.db2.gz QIKQBTJFRYRPNS-UHFFFAOYSA-N 0 3 344.430 3.642 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)c([O-])c1 ZINC000809712550 1135875936 /nfs/dbraw/zinc/87/59/36/1135875936.db2.gz QIKQBTJFRYRPNS-UHFFFAOYSA-N 0 3 344.430 3.642 20 10 EHCDHN COc1cc(O)c(CNCc2ccc(-c3ccccc3)o2)cc1OC ZINC000776031133 1135936076 /nfs/dbraw/zinc/93/60/76/1135936076.db2.gz ZYGURENUCRHQKG-UHFFFAOYSA-N 0 3 339.391 3.959 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216381 1135938818 /nfs/dbraw/zinc/93/88/18/1135938818.db2.gz IRBKMTQYKSUTFS-IUODEOHRSA-N 0 3 330.394 3.794 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[O-] ZINC000776255690 1136110362 /nfs/dbraw/zinc/11/03/62/1136110362.db2.gz GPZZSYQIZWMXOJ-IPYPFGDCSA-N 0 3 329.918 3.823 20 10 EHCDHN CC(C)c1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406267 1136251030 /nfs/dbraw/zinc/25/10/30/1136251030.db2.gz ZHGNWRDNNMAFCD-UHFFFAOYSA-N 0 3 345.512 3.517 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)cc1F ZINC000850421089 1136256035 /nfs/dbraw/zinc/25/60/35/1136256035.db2.gz VKNDAEPMCKSIAW-QRWLVFNGSA-N 0 3 330.447 3.884 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850487542 1136269011 /nfs/dbraw/zinc/26/90/11/1136269011.db2.gz HZFDJOIEISBMPP-HNAYVOBHSA-N 0 3 326.440 3.720 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccc(OC)cc3F)C2)cc1 ZINC000850488572 1136269719 /nfs/dbraw/zinc/26/97/19/1136269719.db2.gz NISCTVKDZUYFNH-CABCVRRESA-N 0 3 344.430 3.772 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccoc2)c1[O-] ZINC000850530849 1136279901 /nfs/dbraw/zinc/27/99/01/1136279901.db2.gz FBTJDVBADHJNFW-SNVBAGLBSA-N 0 3 340.217 3.650 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC(C)(C)F)c1[O-] ZINC000850532593 1136280669 /nfs/dbraw/zinc/28/06/69/1136280669.db2.gz UOYKCAYZJOFZQH-SECBINFHSA-N 0 3 334.229 3.952 20 10 EHCDHN Oc1cc2c(cc1CN1CC3(CCOCC3)[C@@H]1c1ccco1)CCC2 ZINC000853552001 1136544015 /nfs/dbraw/zinc/54/40/15/1136544015.db2.gz RHMBZTHEAPJXGJ-FQEVSTJZSA-N 0 3 339.435 3.828 20 10 EHCDHN Cc1cc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)ccc1N(C)C ZINC000815094515 1136555130 /nfs/dbraw/zinc/55/51/30/1136555130.db2.gz LCWZWKXJKIWLJR-QGZVFWFLSA-N 0 3 344.421 3.586 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586231 1136615202 /nfs/dbraw/zinc/61/52/02/1136615202.db2.gz BXUFGTFWULWTSB-RWMBFGLXSA-N 0 3 330.394 3.934 20 10 EHCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000815632970 1136622026 /nfs/dbraw/zinc/62/20/26/1136622026.db2.gz CJKKBRLWWNSWTL-AAEUAGOBSA-N 0 3 326.868 3.557 20 10 EHCDHN CCOC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000113923148 1136757391 /nfs/dbraw/zinc/75/73/91/1136757391.db2.gz PBEGFMVZANPDAH-HNNXBMFYSA-N 0 3 329.440 3.803 20 10 EHCDHN CCOC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000113923148 1136757393 /nfs/dbraw/zinc/75/73/93/1136757393.db2.gz PBEGFMVZANPDAH-HNNXBMFYSA-N 0 3 329.440 3.803 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC23CCSCC3)c1[O-] ZINC000817411820 1136806127 /nfs/dbraw/zinc/80/61/27/1136806127.db2.gz WDGKQDNFICSHPY-LBPRGKRZSA-N 0 3 327.877 3.677 20 10 EHCDHN C[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000817939252 1136847540 /nfs/dbraw/zinc/84/75/40/1136847540.db2.gz BIBXYKRIYWSRGZ-MRXNPFEDSA-N 0 3 335.451 3.771 20 10 EHCDHN COc1ccc(O)c(CNCc2ccc(C(=O)OC(C)(C)C)s2)c1 ZINC000858137139 1136942886 /nfs/dbraw/zinc/94/28/86/1136942886.db2.gz HJGQLOMRSRMZLD-UHFFFAOYSA-N 0 3 349.452 3.707 20 10 EHCDHN Cc1cc(CNCc2cnc3n2CCC3)c(C)n1-c1cccc(C)c1 ZINC000858292751 1136955427 /nfs/dbraw/zinc/95/54/27/1136955427.db2.gz DXGOVXMWXUCMLE-UHFFFAOYSA-N 0 3 334.467 3.835 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@H](C)c3nc(C)cs3)C2)cc1 ZINC000858427374 1136966946 /nfs/dbraw/zinc/96/69/46/1136966946.db2.gz FOPYFRFXWCYJST-CABCVRRESA-N 0 3 331.485 3.637 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Br)cc1[O-] ZINC000858490627 1136973000 /nfs/dbraw/zinc/97/30/00/1136973000.db2.gz KYTLAIRDMZHSPK-CHWSQXEVSA-N 0 3 341.293 3.537 20 10 EHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000824548131 1137143938 /nfs/dbraw/zinc/14/39/38/1137143938.db2.gz AIDXDHJZLYREIZ-OAHLLOKOSA-N 0 3 346.421 3.961 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1[O-] ZINC000862481522 1137146236 /nfs/dbraw/zinc/14/62/36/1137146236.db2.gz WZUMRHCKEYCSNP-UHFFFAOYSA-N 0 3 334.847 3.825 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000862530028 1137148335 /nfs/dbraw/zinc/14/83/35/1137148335.db2.gz SGZAMWAOPYGREK-WIYYLYMNSA-N 0 3 339.435 3.628 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000824799027 1137152728 /nfs/dbraw/zinc/15/27/28/1137152728.db2.gz JHQBRXCQYIROOH-WFASDCNBSA-N 0 3 327.852 3.595 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000825035737 1137162756 /nfs/dbraw/zinc/16/27/56/1137162756.db2.gz RTTXTMRFRWFETA-XLIONFOSSA-N 0 3 341.451 3.612 20 10 EHCDHN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)cc1Cl ZINC000825267494 1137171053 /nfs/dbraw/zinc/17/10/53/1137171053.db2.gz UWBLFVFBQRYOCN-UHFFFAOYSA-N 0 3 346.858 3.791 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]CCC2=CCCC2)c1[O-] ZINC000120138099 1137236500 /nfs/dbraw/zinc/23/65/00/1137236500.db2.gz SCCLNGUMSAAPQT-UHFFFAOYSA-N 0 3 326.234 3.753 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1ccc(C)cc1[O-] ZINC000794827487 1137267657 /nfs/dbraw/zinc/26/76/57/1137267657.db2.gz JKGMFCRSWJMARX-OWZDWXTDSA-N 0 3 343.423 3.592 20 10 EHCDHN COc1ccc(O)c(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1 ZINC000846051411 1137330664 /nfs/dbraw/zinc/33/06/64/1137330664.db2.gz DWFUODADAWNOBP-MRXNPFEDSA-N 0 3 331.387 3.932 20 10 EHCDHN COc1cccc([C@H](C)NCc2cccnc2OC2CCCC2)c1O ZINC000846139688 1137338372 /nfs/dbraw/zinc/33/83/72/1137338372.db2.gz RHSXEFRYYKJNAD-AWEZNQCLSA-N 0 3 342.439 3.968 20 10 EHCDHN CC[C@H](NCc1cccc2c1OCCO2)c1ccc(N(C)C)cc1 ZINC000772985379 1137415679 /nfs/dbraw/zinc/41/56/79/1137415679.db2.gz ROKMOCOUMJTOSB-SFHVURJKSA-N 0 3 326.440 3.765 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000872122190 1137572691 /nfs/dbraw/zinc/57/26/91/1137572691.db2.gz CTKIXZHJUWIDOD-CYBMUJFWSA-N 0 3 325.412 3.840 20 10 EHCDHN C[C@H](c1ccco1)N(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876640021 1137657870 /nfs/dbraw/zinc/65/78/70/1137657870.db2.gz YQDDAFDTGJIGSP-MRXNPFEDSA-N 0 3 340.467 3.966 20 10 EHCDHN Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000876718866 1137659595 /nfs/dbraw/zinc/65/95/95/1137659595.db2.gz WZAORCMTTKRLGR-FQEVSTJZSA-N 0 3 329.415 3.785 20 10 EHCDHN Cc1cccc(O)c1CNc1cccc(CN2CCSCC2)c1 ZINC000876854570 1137663756 /nfs/dbraw/zinc/66/37/56/1137663756.db2.gz TZZSQGHADMRYJB-UHFFFAOYSA-N 0 3 328.481 3.862 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000876988404 1137667025 /nfs/dbraw/zinc/66/70/25/1137667025.db2.gz FHUAPYQDTBJEBW-MRXNPFEDSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1ccccc1OCCCCO ZINC000877031363 1137668131 /nfs/dbraw/zinc/66/81/31/1137668131.db2.gz QKVXDWILPHCCJF-UHFFFAOYSA-N 0 3 342.483 3.502 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000877459908 1137676991 /nfs/dbraw/zinc/67/69/91/1137676991.db2.gz OCQOYMNRYXSJJQ-UHFFFAOYSA-N 0 3 334.460 3.580 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)c([O-])c1 ZINC000877494400 1137678537 /nfs/dbraw/zinc/67/85/37/1137678537.db2.gz WJNKZXSKFFQTTE-UHFFFAOYSA-N 0 3 325.330 3.795 20 10 EHCDHN COc1ccc([C@@H](O)C2CC[NH+](Cc3c(C)cccc3[O-])CC2)cc1 ZINC000877542024 1137680565 /nfs/dbraw/zinc/68/05/65/1137680565.db2.gz OCJDDEIQLKMKEW-OAQYLSRUSA-N 0 3 341.451 3.655 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000877547184 1137680821 /nfs/dbraw/zinc/68/08/21/1137680821.db2.gz YQARTVDOTRHMMV-QGZVFWFLSA-N 0 3 346.471 3.580 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccnn1C ZINC000877762279 1137688620 /nfs/dbraw/zinc/68/86/20/1137688620.db2.gz CEFNRIYKOVLLSB-HNNXBMFYSA-N 0 3 337.423 3.556 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)c1ccccc1 ZINC000877832695 1137692763 /nfs/dbraw/zinc/69/27/63/1137692763.db2.gz PQEUSQNNYAKVJW-NVXWUHKLSA-N 0 3 335.831 3.656 20 10 EHCDHN C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1Cl ZINC000879647581 1137753438 /nfs/dbraw/zinc/75/34/38/1137753438.db2.gz FHXIWWARXWNPTL-CHWSQXEVSA-N 0 3 332.831 3.574 20 10 EHCDHN CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649109 1137753552 /nfs/dbraw/zinc/75/35/52/1137753552.db2.gz LWKMLHRAKFYRNJ-CHWSQXEVSA-N 0 3 330.453 3.792 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000879649783 1137753631 /nfs/dbraw/zinc/75/36/31/1137753631.db2.gz GTYWLTYBHNCCLL-SUNYJGFJSA-N 0 3 342.414 3.544 20 10 EHCDHN Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])C2CC2)cc1 ZINC000879651665 1137753755 /nfs/dbraw/zinc/75/37/55/1137753755.db2.gz FWIQEKMLDWRPKE-YCRPNKLZSA-N 0 3 338.451 3.619 20 10 EHCDHN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652016 1137753901 /nfs/dbraw/zinc/75/39/01/1137753901.db2.gz TZOMMCRRPKMCRB-IRXDYDNUSA-N 0 3 340.467 3.869 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000886629867 1138103775 /nfs/dbraw/zinc/10/37/75/1138103775.db2.gz PXOUIIKOFFVBEK-UAGQMJEPSA-N 0 3 328.431 3.527 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000886711526 1138122454 /nfs/dbraw/zinc/12/24/54/1138122454.db2.gz XPMHQGVCJOQKDQ-IRXDYDNUSA-N 0 3 333.472 3.717 20 10 EHCDHN CCc1nc(C)c([C@@H](C)N(C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093612608 1138239108 /nfs/dbraw/zinc/23/91/08/1138239108.db2.gz CJLDEKDYKIGJEM-LLVKDONJSA-N 0 3 334.441 3.641 20 10 EHCDHN C[C@H](N[C@H]1CCCc2occc21)c1ccc(N2CCOCC2)cc1 ZINC000152234105 1139080195 /nfs/dbraw/zinc/08/01/95/1139080195.db2.gz ZDMMFKNDJNOOOQ-KXBFYZLASA-N 0 3 326.440 3.844 20 10 EHCDHN CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179643759 1139771603 /nfs/dbraw/zinc/77/16/03/1139771603.db2.gz OWWVENUKCORARE-FXAWDEMLSA-N 0 3 343.467 3.741 20 10 EHCDHN CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179643759 1139771608 /nfs/dbraw/zinc/77/16/08/1139771608.db2.gz OWWVENUKCORARE-FXAWDEMLSA-N 0 3 343.467 3.741 20 10 EHCDHN COc1cc(O)c(CN(C)[C@@H](C)c2sc(C)nc2C)cc1OC ZINC000180154031 1139813032 /nfs/dbraw/zinc/81/30/32/1139813032.db2.gz WDWLJZRUHOXPEP-NSHDSACASA-N 0 3 336.457 3.676 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000180504066 1139840134 /nfs/dbraw/zinc/84/01/34/1139840134.db2.gz MELCKYBYFJNWCM-LJQANCHMSA-N 0 3 329.371 3.543 20 10 EHCDHN CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183434286 1140038060 /nfs/dbraw/zinc/03/80/60/1140038060.db2.gz HFMSUJDTZDRJCE-CQSZACIVSA-N 0 3 327.428 3.773 20 10 EHCDHN C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000183458732 1140039733 /nfs/dbraw/zinc/03/97/33/1140039733.db2.gz NWJQJBKEPCRPGS-ZUOKHONESA-N 0 3 325.408 3.965 20 10 EHCDHN COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183475409 1140041269 /nfs/dbraw/zinc/04/12/69/1140041269.db2.gz UVYVFORBYQXZKW-JKSUJKDBSA-N 0 3 326.440 3.578 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)c([O-])c1 ZINC000184988159 1140129924 /nfs/dbraw/zinc/12/99/24/1140129924.db2.gz IWBLAPOXZKLPPD-MRXNPFEDSA-N 0 3 338.451 3.674 20 10 EHCDHN COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185269623 1140142179 /nfs/dbraw/zinc/14/21/79/1140142179.db2.gz MIPITDGMUFZAEA-IRXDYDNUSA-N 0 3 340.467 3.886 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c1[O-] ZINC000187233830 1140245740 /nfs/dbraw/zinc/24/57/40/1140245740.db2.gz GNPMJIYBZHSFAB-YUSALJHKSA-N 0 3 330.266 3.521 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000268837838 1141004245 /nfs/dbraw/zinc/00/42/45/1141004245.db2.gz QANJQYUHFPOENQ-CQSZACIVSA-N 0 3 343.427 3.910 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271200884 1141323701 /nfs/dbraw/zinc/32/37/01/1141323701.db2.gz FNRJPHUNAFALEZ-CQSZACIVSA-N 0 3 337.423 3.752 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271200884 1141323709 /nfs/dbraw/zinc/32/37/09/1141323709.db2.gz FNRJPHUNAFALEZ-CQSZACIVSA-N 0 3 337.423 3.752 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271200884 1141323714 /nfs/dbraw/zinc/32/37/14/1141323714.db2.gz FNRJPHUNAFALEZ-CQSZACIVSA-N 0 3 337.423 3.752 20 10 EHCDHN C[C@@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCCO1 ZINC000183160430 1125459069 /nfs/dbraw/zinc/45/90/69/1125459069.db2.gz JUFQBCLKTOPGQG-FQEVSTJZSA-N 0 3 327.424 3.630 20 10 EHCDHN Cc1cc(O)c(CNCc2nc3cccc(Cl)c3n2C)cc1C ZINC000274837313 1015463739 /nfs/dbraw/zinc/46/37/39/1015463739.db2.gz VPJKBJKDGPKLFC-UHFFFAOYSA-N 0 3 329.831 3.839 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccccc1[O-] ZINC000155068106 1016105434 /nfs/dbraw/zinc/10/54/34/1016105434.db2.gz MNQFTECAWMNFFX-DYVFJYSZSA-N 0 3 327.424 3.965 20 10 EHCDHN COc1cc(C)cc(CN[C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000894200864 1019129223 /nfs/dbraw/zinc/12/92/23/1019129223.db2.gz ROUWPIJNPIPITN-MRXNPFEDSA-N 0 3 331.387 3.852 20 10 EHCDHN CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@@H]1O ZINC000275996584 1020143947 /nfs/dbraw/zinc/14/39/47/1020143947.db2.gz OIBOQCLZOHIVBK-FQEVSTJZSA-N 0 3 341.451 3.564 20 10 EHCDHN CC1(C)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])CC[C@@H]1O ZINC000275996584 1020143954 /nfs/dbraw/zinc/14/39/54/1020143954.db2.gz OIBOQCLZOHIVBK-FQEVSTJZSA-N 0 3 341.451 3.564 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000280293750 1020261854 /nfs/dbraw/zinc/26/18/54/1020261854.db2.gz ZJRZYVQCTBWSAB-RBUKOAKNSA-N 0 3 338.451 3.542 20 10 EHCDHN COc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)c(O)c1OC ZINC000891549275 1021893399 /nfs/dbraw/zinc/89/33/99/1021893399.db2.gz HBVMYCLPMQXJJS-INIZCTEOSA-N 0 3 331.387 3.886 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290809752 1022104350 /nfs/dbraw/zinc/10/43/50/1022104350.db2.gz GAGSHEPTWXEZSR-OAHLLOKOSA-N 0 3 327.815 3.842 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290809752 1022104359 /nfs/dbraw/zinc/10/43/59/1022104359.db2.gz GAGSHEPTWXEZSR-OAHLLOKOSA-N 0 3 327.815 3.842 20 10 EHCDHN Cc1cc(C)c(O)c(CN(C)Cc2cc(Br)cn2C)c1 ZINC000164491101 1022888701 /nfs/dbraw/zinc/88/87/01/1022888701.db2.gz FRBJWOCCELJXGL-UHFFFAOYSA-N 0 3 337.261 3.742 20 10 EHCDHN CC(C)(CO)[C@H](NCc1ccc2c(c1)CCCO2)c1cccs1 ZINC000894803396 1022925095 /nfs/dbraw/zinc/92/50/95/1022925095.db2.gz XSALSXHVWUGJHC-GOSISDBHSA-N 0 3 331.481 3.923 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000276987834 1023665681 /nfs/dbraw/zinc/66/56/81/1023665681.db2.gz GLIQTYGDWMHQNE-UHFFFAOYSA-N 0 3 333.378 3.852 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000276987834 1023665683 /nfs/dbraw/zinc/66/56/83/1023665683.db2.gz GLIQTYGDWMHQNE-UHFFFAOYSA-N 0 3 333.378 3.852 20 10 EHCDHN CCc1cccc(CNCc2cc(-c3cccc(OC)c3)no2)c1O ZINC000897842477 1033207969 /nfs/dbraw/zinc/20/79/69/1033207969.db2.gz WSUJREWFYHLRMU-UHFFFAOYSA-N 0 3 338.407 3.908 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cnc2cnccn12)C1CCCCC1 ZINC000156777063 1024590438 /nfs/dbraw/zinc/59/04/38/1024590438.db2.gz LXBVFNQYEXLRGU-UHFFFAOYSA-N 0 3 336.439 3.770 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnc2cnccn12)C1CCCCC1 ZINC000156777063 1024590444 /nfs/dbraw/zinc/59/04/44/1024590444.db2.gz LXBVFNQYEXLRGU-UHFFFAOYSA-N 0 3 336.439 3.770 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccccc1[O-] ZINC000281426783 1025022034 /nfs/dbraw/zinc/02/20/34/1025022034.db2.gz BYVBFADZVLNIQX-AWEZNQCLSA-N 0 3 340.345 3.969 20 10 EHCDHN COc1ccc([C@H](C[NH2+]Cc2ccccc2[O-])N2CCCCC2)cc1 ZINC000237338834 1028165552 /nfs/dbraw/zinc/16/55/52/1028165552.db2.gz RJLZMICHNNKRTQ-FQEVSTJZSA-N 0 3 340.467 3.718 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000271807476 1029182691 /nfs/dbraw/zinc/18/26/91/1029182691.db2.gz KHTWHDCDOJJKTQ-LSDHHAIUSA-N 0 3 342.277 3.756 20 10 EHCDHN C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000186152903 1035592428 /nfs/dbraw/zinc/59/24/28/1035592428.db2.gz SVCJWGWCARTTFG-CABCVRRESA-N 0 3 343.446 3.803 20 10 EHCDHN C[C@@H]1C[C@H](NCc2nn(C)c3ccccc23)c2c1c(F)ccc2O ZINC000760898216 1037691413 /nfs/dbraw/zinc/69/14/13/1037691413.db2.gz PCTYLLLMXDSERS-RISCZKNCSA-N 0 3 325.387 3.756 20 10 EHCDHN Cc1cc(CN2CCCN(C(=O)C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000151931901 1037946856 /nfs/dbraw/zinc/94/68/56/1037946856.db2.gz OHGADOJPZUWBCR-UHFFFAOYSA-N 0 3 346.515 3.688 20 10 EHCDHN C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854543 1038689667 /nfs/dbraw/zinc/68/96/67/1038689667.db2.gz MDVNIRIVFTZXAP-SDDRHHMPSA-N 0 3 329.271 3.976 20 10 EHCDHN C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854543 1038689670 /nfs/dbraw/zinc/68/96/70/1038689670.db2.gz MDVNIRIVFTZXAP-SDDRHHMPSA-N 0 3 329.271 3.976 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185394727 1126885872 /nfs/dbraw/zinc/88/58/72/1126885872.db2.gz KIMCZNCSADUWGC-HOTGVXAUSA-N 0 3 348.487 3.998 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083630473 1127713670 /nfs/dbraw/zinc/71/36/70/1127713670.db2.gz FFJHNZIYAULPRH-GOSISDBHSA-N 0 3 341.451 3.705 20 10 EHCDHN CC1CCC([NH+]2CCN(Cc3c([O-])ccc4ccncc43)CC2)CC1 ZINC000734478491 1131243021 /nfs/dbraw/zinc/24/30/21/1131243021.db2.gz UZFALWNLZSILBE-UHFFFAOYSA-N 0 3 339.483 3.637 20 10 EHCDHN c1ccc(COc2cccc(CNCc3ccc4c(c3)CCO4)c2)nc1 ZINC000077328594 1120108702 /nfs/dbraw/zinc/10/87/02/1120108702.db2.gz UGADVGACXDVMLN-UHFFFAOYSA-N 0 3 346.430 3.885 20 10 EHCDHN CCN1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000918709631 1122899163 /nfs/dbraw/zinc/89/91/63/1122899163.db2.gz DPXJCPIQDOYATA-GOSISDBHSA-N 0 3 339.483 3.617 20 10 EHCDHN COc1ccc([C@H]2CSCC[N@@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137837451 1130520416 /nfs/dbraw/zinc/52/04/16/1130520416.db2.gz HJBWLHRYSUODHF-QGZVFWFLSA-N 0 3 333.428 3.830 20 10 EHCDHN COc1ccc([C@H]2CSCC[N@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137837451 1130520419 /nfs/dbraw/zinc/52/04/19/1130520419.db2.gz HJBWLHRYSUODHF-QGZVFWFLSA-N 0 3 333.428 3.830 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000727830769 1130597999 /nfs/dbraw/zinc/59/79/99/1130597999.db2.gz NEBSHQDRBWTBLF-QGZVFWFLSA-N 0 3 349.858 3.698 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000727830769 1130598003 /nfs/dbraw/zinc/59/80/03/1130598003.db2.gz NEBSHQDRBWTBLF-QGZVFWFLSA-N 0 3 349.858 3.698 20 10 EHCDHN Cc1cc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1C(C)C ZINC000730256811 1130691706 /nfs/dbraw/zinc/69/17/06/1130691706.db2.gz BJZCYYXQYFWTRP-INIZCTEOSA-N 0 3 348.487 3.923 20 10 EHCDHN CCN(CC)c1ccc(CNCc2n[nH]c3ccccc23)cc1F ZINC000731360789 1130791439 /nfs/dbraw/zinc/79/14/39/1130791439.db2.gz OZBJUJRSOOCMNY-UHFFFAOYSA-N 0 3 326.419 3.838 20 10 EHCDHN CCN(CC)c1ccc(CNCc2[nH]nc3ccccc32)cc1F ZINC000731360789 1130791447 /nfs/dbraw/zinc/79/14/47/1130791447.db2.gz OZBJUJRSOOCMNY-UHFFFAOYSA-N 0 3 326.419 3.838 20 10 EHCDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001173087231 1131965644 /nfs/dbraw/zinc/96/56/44/1131965644.db2.gz SFSMQBCSCNNDKC-LLVKDONJSA-N 0 3 341.329 3.717 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000743870668 1131994715 /nfs/dbraw/zinc/99/47/15/1131994715.db2.gz ZLOTZDIUKHTSEJ-HNNXBMFYSA-N 0 3 342.439 3.640 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000743870437 1131995509 /nfs/dbraw/zinc/99/55/09/1131995509.db2.gz RJUKBTYIAXUAGT-DODZYUBVSA-N 0 3 346.515 3.934 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000743870437 1131995518 /nfs/dbraw/zinc/99/55/18/1131995518.db2.gz RJUKBTYIAXUAGT-DODZYUBVSA-N 0 3 346.515 3.934 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1Cl ZINC000743870391 1131995542 /nfs/dbraw/zinc/99/55/42/1131995542.db2.gz QBRYWGZWWRMHDS-MRXNPFEDSA-N 0 3 349.858 3.698 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1Cl ZINC000743870391 1131995549 /nfs/dbraw/zinc/99/55/49/1131995549.db2.gz QBRYWGZWWRMHDS-MRXNPFEDSA-N 0 3 349.858 3.698 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1OC ZINC000743870669 1131996319 /nfs/dbraw/zinc/99/63/19/1131996319.db2.gz ZLOTZDIUKHTSEJ-OAHLLOKOSA-N 0 3 342.439 3.640 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173731137 1132143360 /nfs/dbraw/zinc/14/33/60/1132143360.db2.gz SREVTMMFICWZAY-OAHLLOKOSA-N 0 3 327.424 3.632 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173731137 1132143364 /nfs/dbraw/zinc/14/33/64/1132143364.db2.gz SREVTMMFICWZAY-OAHLLOKOSA-N 0 3 327.424 3.632 20 10 EHCDHN Cc1cnccc1Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001174538205 1132388542 /nfs/dbraw/zinc/38/85/42/1132388542.db2.gz FKNWXAZZQSVHIZ-UHFFFAOYSA-N 0 3 333.395 3.782 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccccc1OCCOC ZINC000768131903 1133099154 /nfs/dbraw/zinc/09/91/54/1133099154.db2.gz BBBCYIBSEWURRE-UHFFFAOYSA-N 0 3 342.483 3.800 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2c(c1)COC2)C[C@H]1CCCO1 ZINC000768163274 1133103627 /nfs/dbraw/zinc/10/36/27/1133103627.db2.gz XLMNIXIITPYDNF-HXUWFJFHSA-N 0 3 339.435 3.604 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2c(c1)COC2)C[C@H]1CCCO1 ZINC000768163274 1133103629 /nfs/dbraw/zinc/10/36/29/1133103629.db2.gz XLMNIXIITPYDNF-HXUWFJFHSA-N 0 3 339.435 3.604 20 10 EHCDHN COc1cccc(O)c1CN(C)Cc1cccc(Br)c1 ZINC000768253196 1133117549 /nfs/dbraw/zinc/11/75/49/1133117549.db2.gz ZZTCWRFNLBBJTN-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN Cc1ccccc1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768453474 1133141391 /nfs/dbraw/zinc/14/13/91/1133141391.db2.gz YICSHALFUHRCHE-HXUWFJFHSA-N 0 3 339.435 3.506 20 10 EHCDHN CN(C)c1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1F ZINC000769024863 1133215346 /nfs/dbraw/zinc/21/53/46/1133215346.db2.gz UDVJVPVBRSZYKN-FQEVSTJZSA-N 0 3 328.431 3.638 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000769308984 1133258354 /nfs/dbraw/zinc/25/83/54/1133258354.db2.gz CWBLFTUKXCMBIG-LJQANCHMSA-N 0 3 338.451 3.861 20 10 EHCDHN C[C@H]1CC[C@@](CO)(NCc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC001179790026 1133283404 /nfs/dbraw/zinc/28/34/04/1133283404.db2.gz ZFAPLUIUKMVDNJ-BTYIYWSLSA-N 0 3 342.458 3.766 20 10 EHCDHN C[C@H]1CC[C@](CO)(NCc2ccc(N(C)C)c(F)c2)c2ccccc21 ZINC001179790029 1133283529 /nfs/dbraw/zinc/28/35/29/1133283529.db2.gz ZFAPLUIUKMVDNJ-YCRPNKLZSA-N 0 3 342.458 3.766 20 10 EHCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769484181 1133289350 /nfs/dbraw/zinc/28/93/50/1133289350.db2.gz SUUONPLPCSHUGP-SFHVURJKSA-N 0 3 325.408 3.587 20 10 EHCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769484181 1133289353 /nfs/dbraw/zinc/28/93/53/1133289353.db2.gz SUUONPLPCSHUGP-SFHVURJKSA-N 0 3 325.408 3.587 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)c([O-])c1 ZINC000769458392 1133295538 /nfs/dbraw/zinc/29/55/38/1133295538.db2.gz SMERDYDOMNTSJW-HXUWFJFHSA-N 0 3 343.467 3.810 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)c([O-])c1 ZINC000769458392 1133295541 /nfs/dbraw/zinc/29/55/41/1133295541.db2.gz SMERDYDOMNTSJW-HXUWFJFHSA-N 0 3 343.467 3.810 20 10 EHCDHN CCOc1ccc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000769563759 1133315242 /nfs/dbraw/zinc/31/52/42/1133315242.db2.gz PNASZYNARHEMLV-JBEBIEQOSA-N 0 3 347.480 3.721 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000769930203 1133368701 /nfs/dbraw/zinc/36/87/01/1133368701.db2.gz VVEPXXRQCOKZNS-UHFFFAOYSA-N 0 3 341.451 3.878 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000770291774 1133407141 /nfs/dbraw/zinc/40/71/41/1133407141.db2.gz MFFCSADASNZPTC-MAUKXSAKSA-N 0 3 347.480 3.941 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c([O-])c1 ZINC000770291774 1133407143 /nfs/dbraw/zinc/40/71/43/1133407143.db2.gz MFFCSADASNZPTC-MAUKXSAKSA-N 0 3 347.480 3.941 20 10 EHCDHN COc1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cc1F ZINC000770307607 1133408997 /nfs/dbraw/zinc/40/89/97/1133408997.db2.gz UCQQVLYPEUVLAA-UHFFFAOYSA-N 0 3 339.414 3.638 20 10 EHCDHN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000774482468 1133688066 /nfs/dbraw/zinc/68/80/66/1133688066.db2.gz LFJSCYUZVCYLBA-LSDHHAIUSA-N 0 3 343.446 3.878 20 10 EHCDHN Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774485713 1133688595 /nfs/dbraw/zinc/68/85/95/1133688595.db2.gz UTLJGLNNXQLPBI-HOTGVXAUSA-N 0 3 325.456 3.739 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1[O-] ZINC001183971174 1133882956 /nfs/dbraw/zinc/88/29/56/1133882956.db2.gz FJDYHQGTYOCTRV-AWEZNQCLSA-N 0 3 340.261 3.654 20 10 EHCDHN COc1cccc(C2(NCc3cc(C)ccc3O)CCOCC2)c1F ZINC000775049569 1134256466 /nfs/dbraw/zinc/25/64/66/1134256466.db2.gz ZBIMWHUMQUQKCE-UHFFFAOYSA-N 0 3 345.414 3.644 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(C3)CCCOC4)c2c1 ZINC000789541612 1134293279 /nfs/dbraw/zinc/29/32/79/1134293279.db2.gz OMBXJPZRFMWHHQ-FQEVSTJZSA-N 0 3 327.424 3.557 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(C3)CCCOC4)c2c1 ZINC000789541612 1134293284 /nfs/dbraw/zinc/29/32/84/1134293284.db2.gz OMBXJPZRFMWHHQ-FQEVSTJZSA-N 0 3 327.424 3.557 20 10 EHCDHN CCOC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000789589331 1134299959 /nfs/dbraw/zinc/29/99/59/1134299959.db2.gz OHRIIVKAXRGUMX-AWEZNQCLSA-N 0 3 330.266 3.614 20 10 EHCDHN Cc1cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000790406473 1134412001 /nfs/dbraw/zinc/41/20/01/1134412001.db2.gz XLTNUGNTZVULGZ-MRXNPFEDSA-N 0 3 347.499 3.768 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000790935529 1134479656 /nfs/dbraw/zinc/47/96/56/1134479656.db2.gz YJMCBUOVVDDDNH-IUODEOHRSA-N 0 3 342.277 3.589 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000790935529 1134479659 /nfs/dbraw/zinc/47/96/59/1134479659.db2.gz YJMCBUOVVDDDNH-IUODEOHRSA-N 0 3 342.277 3.589 20 10 EHCDHN COc1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000793388169 1134920803 /nfs/dbraw/zinc/92/08/03/1134920803.db2.gz NVQPDMDLKIJQHL-MDWZMJQESA-N 0 3 328.368 3.502 20 10 EHCDHN COc1ccc(C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)c([O-])c1 ZINC000793387296 1134921068 /nfs/dbraw/zinc/92/10/68/1134921068.db2.gz CARDBPPZLSDWPE-UHFFFAOYSA-N 0 3 337.366 3.909 20 10 EHCDHN COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)c([O-])c1 ZINC000793388696 1134921752 /nfs/dbraw/zinc/92/17/52/1134921752.db2.gz RWUSDMZAEDLVPI-GFCCVEGCSA-N 0 3 348.830 3.561 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000793599141 1134966802 /nfs/dbraw/zinc/96/68/02/1134966802.db2.gz GEEOEZMHVNKNLY-GFCCVEGCSA-N 0 3 342.867 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000808708593 1135717498 /nfs/dbraw/zinc/71/74/98/1135717498.db2.gz NSHLSYRNBLFRNC-DJJJIMSYSA-N 0 3 331.843 3.839 20 10 EHCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3cc(Cl)cc(C)c3[O-])CC2)n[nH]1 ZINC000808714846 1135719715 /nfs/dbraw/zinc/71/97/15/1135719715.db2.gz DJRJMDMJPQUVPW-CYBMUJFWSA-N 0 3 348.878 3.705 20 10 EHCDHN C[C@H](NCC(=O)NC1CCCCCCC1)c1ccc(N(C)C)cc1 ZINC000775832966 1135791736 /nfs/dbraw/zinc/79/17/36/1135791736.db2.gz DFTNSJSCMOXEQU-INIZCTEOSA-N 0 3 331.504 3.632 20 10 EHCDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000775837348 1135796371 /nfs/dbraw/zinc/79/63/71/1135796371.db2.gz RPCXOMGAXBKDIZ-LBPRGKRZSA-N 0 3 349.837 3.834 20 10 EHCDHN CCN(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000775834352 1135798719 /nfs/dbraw/zinc/79/87/19/1135798719.db2.gz SEXKNXRDUDLEQJ-INIZCTEOSA-N 0 3 331.504 3.584 20 10 EHCDHN COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809711027 1135875671 /nfs/dbraw/zinc/87/56/71/1135875671.db2.gz HNLTWNBIQGSDRI-INIZCTEOSA-N 0 3 331.387 3.583 20 10 EHCDHN COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809711027 1135875673 /nfs/dbraw/zinc/87/56/73/1135875673.db2.gz HNLTWNBIQGSDRI-INIZCTEOSA-N 0 3 331.387 3.583 20 10 EHCDHN COc1cccc(CNCc2cnc(-c3cccs3)s2)c1O ZINC000809740129 1135883476 /nfs/dbraw/zinc/88/34/76/1135883476.db2.gz MIAWWCWJSVEEOC-UHFFFAOYSA-N 0 3 332.450 3.876 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209795 1135943673 /nfs/dbraw/zinc/94/36/73/1135943673.db2.gz VVCBOEXVWSOIFM-WBMJQRKESA-N 0 3 342.405 3.936 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000810258952 1135944037 /nfs/dbraw/zinc/94/40/37/1135944037.db2.gz AGHZCDHGNIBOEI-XHDPSFHLSA-N 0 3 342.277 3.665 20 10 EHCDHN CC(C)Nc1ccc(Nc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001201498105 1136029148 /nfs/dbraw/zinc/02/91/48/1136029148.db2.gz RVMLLKWBORKRNE-UHFFFAOYSA-N 0 3 338.499 3.998 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000811512507 1136103692 /nfs/dbraw/zinc/10/36/92/1136103692.db2.gz NBLCKWULILAPJG-IEBWSBKVSA-N 0 3 331.843 3.610 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccc(CO)cc1 ZINC000776258609 1136108588 /nfs/dbraw/zinc/10/85/88/1136108588.db2.gz ZJYOUTORVOIYLU-UHFFFAOYSA-N 0 3 333.431 3.884 20 10 EHCDHN COc1cc(CNCc2cccc3c2OCO3)c(O)c(C(C)(C)C)c1 ZINC000850063097 1136204874 /nfs/dbraw/zinc/20/48/74/1136204874.db2.gz FFFOKSLOUQCREO-UHFFFAOYSA-N 0 3 343.423 3.717 20 10 EHCDHN COc1cc(CN[C@H](C)c2ccncc2OC)c(O)c(C(C)(C)C)c1 ZINC000850269933 1136228904 /nfs/dbraw/zinc/22/89/04/1136228904.db2.gz VXOMBHMQNDKHBS-CYBMUJFWSA-N 0 3 344.455 3.953 20 10 EHCDHN OC1CCN(c2ccc(CNCc3cc(Cl)cs3)cc2)CC1 ZINC000850406579 1136250963 /nfs/dbraw/zinc/25/09/63/1136250963.db2.gz MKTNZJQRFPDCEC-UHFFFAOYSA-N 0 3 336.888 3.652 20 10 EHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc2cnccc2o1 ZINC000850427590 1136257038 /nfs/dbraw/zinc/25/70/38/1136257038.db2.gz WSWINHQEEPBGHZ-HNNXBMFYSA-N 0 3 337.423 3.515 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c1[O-] ZINC000850524520 1136277350 /nfs/dbraw/zinc/27/73/50/1136277350.db2.gz GUFBCVZSQXPFHX-AAEUAGOBSA-N 0 3 340.261 3.825 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2c(C3CCC3)cnn2C)cc1 ZINC000850549714 1136283130 /nfs/dbraw/zinc/28/31/30/1136283130.db2.gz JFWSNGSQYIWHTR-HNNXBMFYSA-N 0 3 326.488 3.995 20 10 EHCDHN Cc1cncc(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000850549040 1136283139 /nfs/dbraw/zinc/28/31/39/1136283139.db2.gz CVNYEUGKRKPCDV-OAQYLSRUSA-N 0 3 347.462 3.997 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1[O-] ZINC000850568011 1136287913 /nfs/dbraw/zinc/28/79/13/1136287913.db2.gz NWQJMYLGOFVBOG-HXUWFJFHSA-N 0 3 340.467 3.594 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c1[O-] ZINC000850570083 1136288616 /nfs/dbraw/zinc/28/86/16/1136288616.db2.gz DCZFZWYUXXMVJW-NEPJUHHUSA-N 0 3 342.277 3.929 20 10 EHCDHN COc1cccc([C@@H](C)NCc2cccc3c2OC(F)(F)O3)c1O ZINC000850573664 1136289660 /nfs/dbraw/zinc/28/96/60/1136289660.db2.gz PDEOIXOLXAXMRG-SNVBAGLBSA-N 0 3 337.322 3.573 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c([O-])c1 ZINC000776497760 1136312228 /nfs/dbraw/zinc/31/22/28/1136312228.db2.gz FEEAPYNTJPQDPV-BFUOFWGJSA-N 0 3 333.403 3.796 20 10 EHCDHN O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc2c1CNC2 ZINC000852809530 1136488311 /nfs/dbraw/zinc/48/83/11/1136488311.db2.gz HAKDGWRTMFFECG-UHFFFAOYSA-N 0 3 335.451 3.923 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(N)c2)c1[O-] ZINC000854217474 1136598972 /nfs/dbraw/zinc/59/89/72/1136598972.db2.gz MRDDLOWJTRJADD-LLVKDONJSA-N 0 3 335.245 3.896 20 10 EHCDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000854223944 1136599704 /nfs/dbraw/zinc/59/97/04/1136599704.db2.gz TZWRYNXBIUYFLR-SECBINFHSA-N 0 3 347.684 3.730 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000815627700 1136621465 /nfs/dbraw/zinc/62/14/65/1136621465.db2.gz HDQDLHFRYJAHCW-MJGOQNOKSA-N 0 3 347.462 3.936 20 10 EHCDHN COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000816597354 1136739721 /nfs/dbraw/zinc/73/97/21/1136739721.db2.gz OFEGRWBCCMYOGS-XNTDXEJSSA-N 0 3 327.424 3.740 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954118 1136850834 /nfs/dbraw/zinc/85/08/34/1136850834.db2.gz BUWMECSOZWRWSM-CVEARBPZSA-N 0 3 349.272 3.895 20 10 EHCDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000817979679 1136855081 /nfs/dbraw/zinc/85/50/81/1136855081.db2.gz MPKUXFVKOSTACR-QAPCUYQASA-N 0 3 337.458 3.715 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c1[O-] ZINC000858540135 1136977501 /nfs/dbraw/zinc/97/75/01/1136977501.db2.gz WJSDMWZRKLFDDM-NSHDSACASA-N 0 3 346.814 3.650 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c([O-])c1 ZINC000822530192 1137062608 /nfs/dbraw/zinc/06/26/08/1137062608.db2.gz TTWCVKWPMUWXAW-IBGZPJMESA-N 0 3 331.456 3.572 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c([O-])c1 ZINC000822530192 1137062609 /nfs/dbraw/zinc/06/26/09/1137062609.db2.gz TTWCVKWPMUWXAW-IBGZPJMESA-N 0 3 331.456 3.572 20 10 EHCDHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635552 1137145492 /nfs/dbraw/zinc/14/54/92/1137145492.db2.gz HRCPPVZOVJYNEF-AZUAARDMSA-N 0 3 341.451 3.564 20 10 EHCDHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824635552 1137145495 /nfs/dbraw/zinc/14/54/95/1137145495.db2.gz HRCPPVZOVJYNEF-AZUAARDMSA-N 0 3 341.451 3.564 20 10 EHCDHN Cc1cccc(CN2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1O ZINC000862481546 1137146442 /nfs/dbraw/zinc/14/64/42/1137146442.db2.gz IOIVPTUAFTUCTJ-NRFANRHFSA-N 0 3 337.419 3.701 20 10 EHCDHN CCOc1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c(O)c1 ZINC000825046028 1137163290 /nfs/dbraw/zinc/16/32/90/1137163290.db2.gz OOWPDPAFTBCPCD-CQSZACIVSA-N 0 3 337.341 3.985 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000825062289 1137164127 /nfs/dbraw/zinc/16/41/27/1137164127.db2.gz RTTXTMRFRWFETA-FXAWDEMLSA-N 0 3 341.451 3.612 20 10 EHCDHN CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](CC)CO1 ZINC000844384169 1137215952 /nfs/dbraw/zinc/21/59/52/1137215952.db2.gz CCYLIQUWUCGFLN-UYAOXDASSA-N 0 3 346.515 3.691 20 10 EHCDHN CC[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc(C)cc1[O-] ZINC000794798085 1137251576 /nfs/dbraw/zinc/25/15/76/1137251576.db2.gz SQIANYLTDKTBDQ-QUCCMNQESA-N 0 3 326.484 3.914 20 10 EHCDHN CC[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794809605 1137260698 /nfs/dbraw/zinc/26/06/98/1137260698.db2.gz GTOQFUSTWSDTMQ-SFHVURJKSA-N 0 3 344.430 3.701 20 10 EHCDHN Oc1cc2c(cc1O)CN(Cc1ccc(-n3cccc3)cc1)CCC2 ZINC001144252717 1137261947 /nfs/dbraw/zinc/26/19/47/1137261947.db2.gz VTALGAXYYJPURX-UHFFFAOYSA-N 0 3 334.419 3.837 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](OCC(C)C)C3)c2c1 ZINC000120828094 1137321682 /nfs/dbraw/zinc/32/16/82/1137321682.db2.gz QZYUDOHZDOYRAZ-QGZVFWFLSA-N 0 3 329.440 3.801 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](OCC(C)C)C3)c2c1 ZINC000120828094 1137321684 /nfs/dbraw/zinc/32/16/84/1137321684.db2.gz QZYUDOHZDOYRAZ-QGZVFWFLSA-N 0 3 329.440 3.801 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000845992737 1137323773 /nfs/dbraw/zinc/32/37/73/1137323773.db2.gz OROFNDCNDFZQHR-RDTXWAMCSA-N 0 3 347.480 3.640 20 10 EHCDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(OC)c1O)CCO2 ZINC000846163874 1137337245 /nfs/dbraw/zinc/33/72/45/1137337245.db2.gz MNMYBGRCYHQNDL-DYVFJYSZSA-N 0 3 343.423 3.974 20 10 EHCDHN CC[C@@H](NCc1cc(OC)ccc1O)c1cccc(OC)c1OC ZINC000866296344 1137343454 /nfs/dbraw/zinc/34/34/54/1137343454.db2.gz BBKVHNWDXRVNCV-MRXNPFEDSA-N 0 3 331.412 3.659 20 10 EHCDHN CC[C@H](NCc1cc(OC)ccc1O)c1cccc(OC)c1OC ZINC000866296342 1137343585 /nfs/dbraw/zinc/34/35/85/1137343585.db2.gz BBKVHNWDXRVNCV-INIZCTEOSA-N 0 3 331.412 3.659 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC(C)(C)OC)c1[O-] ZINC000866504688 1137359491 /nfs/dbraw/zinc/35/94/91/1137359491.db2.gz BEYGMXWTANAZIN-SNVBAGLBSA-N 0 3 346.265 3.629 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866533636 1137362370 /nfs/dbraw/zinc/36/23/70/1137362370.db2.gz SSNPMKHZOSEGMU-HIFRSBDPSA-N 0 3 339.863 3.590 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3ncccc23)c2c1c(F)ccc2[O-] ZINC000866573956 1137366000 /nfs/dbraw/zinc/36/60/00/1137366000.db2.gz PVUOFXUWBLMJJQ-BLLLJJGKSA-N 0 3 339.414 3.799 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000715105357 1137475555 /nfs/dbraw/zinc/47/55/55/1137475555.db2.gz XBQJETROKCQUDN-SOUVJXGZSA-N 0 3 334.460 3.655 20 10 EHCDHN CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC001172080064 1137531123 /nfs/dbraw/zinc/53/11/23/1137531123.db2.gz MACRUBPKKNXKBK-OSYLJGHBSA-N 0 3 346.471 3.802 20 10 EHCDHN CCCOc1ccc(CNCc2cccnc2-n2cccn2)cc1C ZINC000873013207 1137588060 /nfs/dbraw/zinc/58/80/60/1137588060.db2.gz WRNGYYMFOYXCJD-UHFFFAOYSA-N 0 3 336.439 3.654 20 10 EHCDHN COc1ccc(CNCc2csc(C)c2C)cc1Cn1cccn1 ZINC000873147779 1137591356 /nfs/dbraw/zinc/59/13/56/1137591356.db2.gz ZBRBUCJIJXZLNV-UHFFFAOYSA-N 0 3 341.480 3.908 20 10 EHCDHN COc1cccc(C)c1CNCc1ccc(N2CCSCC2)cc1 ZINC000876942715 1137665859 /nfs/dbraw/zinc/66/58/59/1137665859.db2.gz CFYDTGZHFCAXCL-UHFFFAOYSA-N 0 3 342.508 3.847 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000877000014 1137667394 /nfs/dbraw/zinc/66/73/94/1137667394.db2.gz JPXNWURTPGWNBM-SFHVURJKSA-N 0 3 345.446 3.805 20 10 EHCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccns3)C2)cc1 ZINC000877071478 1137669384 /nfs/dbraw/zinc/66/93/84/1137669384.db2.gz OYLLSQSEAWXOMF-GFCCVEGCSA-N 0 3 339.411 3.503 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000877483783 1137677927 /nfs/dbraw/zinc/67/79/27/1137677927.db2.gz POXVFJYJTSVJRB-GDBMZVCRSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1[O-] ZINC000877645794 1137684274 /nfs/dbraw/zinc/68/42/74/1137684274.db2.gz WSJUOYAOKDTHHA-KRWDZBQOSA-N 0 3 332.831 3.540 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c1[O-] ZINC000877645794 1137684275 /nfs/dbraw/zinc/68/42/75/1137684275.db2.gz WSJUOYAOKDTHHA-KRWDZBQOSA-N 0 3 332.831 3.540 20 10 EHCDHN COc1cccc([C@@H](O)C2CC[NH+](Cc3ccc(C)cc3[O-])CC2)c1 ZINC000877661345 1137684712 /nfs/dbraw/zinc/68/47/12/1137684712.db2.gz ZZGXXMTWSDHEGQ-NRFANRHFSA-N 0 3 341.451 3.655 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000877664934 1137684971 /nfs/dbraw/zinc/68/49/71/1137684971.db2.gz YQYSNASVVYKECN-OAHLLOKOSA-N 0 3 327.758 3.537 20 10 EHCDHN CN(C)c1ccc(CN2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000877735976 1137687264 /nfs/dbraw/zinc/68/72/64/1137687264.db2.gz OMVMCFZJVAYPNP-UHFFFAOYSA-N 0 3 340.471 3.783 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000126693492 1137688130 /nfs/dbraw/zinc/68/81/30/1137688130.db2.gz DIULFMXOIBPUMC-CQSZACIVSA-N 0 3 325.412 3.828 20 10 EHCDHN C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1[O-] ZINC000879653050 1137754048 /nfs/dbraw/zinc/75/40/48/1137754048.db2.gz LGCILKIYIXTOQQ-AWEZNQCLSA-N 0 3 326.440 3.979 20 10 EHCDHN Cc1cc(CN[C@H](Cn2ccnc2)c2ccccc2)ccc1N(C)C ZINC000880570091 1137781444 /nfs/dbraw/zinc/78/14/44/1137781444.db2.gz UHLDNNLFQNYIKL-HXUWFJFHSA-N 0 3 334.467 3.789 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884483266 1137960981 /nfs/dbraw/zinc/96/09/81/1137960981.db2.gz QMETYIMRDDAYTA-QRWLVFNGSA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)c2c1 ZINC000884483266 1137960982 /nfs/dbraw/zinc/96/09/82/1137960982.db2.gz QMETYIMRDDAYTA-QRWLVFNGSA-N 0 3 327.424 3.555 20 10 EHCDHN CC(C)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000886517769 1138088403 /nfs/dbraw/zinc/08/84/03/1138088403.db2.gz QMSASCFEXNQKHI-HXUWFJFHSA-N 0 3 326.488 3.897 20 10 EHCDHN COc1cccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1O ZINC000093594370 1138238548 /nfs/dbraw/zinc/23/85/48/1138238548.db2.gz WKLFKNKACUHYQW-HNNXBMFYSA-N 0 3 343.398 3.635 20 10 EHCDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(N(C)C)cc1 ZINC000093888735 1138242554 /nfs/dbraw/zinc/24/25/54/1138242554.db2.gz LDCSIGRMXJRHKM-IQMFZBJNSA-N 0 3 330.497 3.683 20 10 EHCDHN C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000122276189 1138256553 /nfs/dbraw/zinc/25/65/53/1138256553.db2.gz VNXJAMZJELXUIW-INIZCTEOSA-N 0 3 337.467 3.627 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000301750625 1138635720 /nfs/dbraw/zinc/63/57/20/1138635720.db2.gz JGPMEIVLFABVGP-CABCVRRESA-N 0 3 334.460 3.832 20 10 EHCDHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000301751201 1138636028 /nfs/dbraw/zinc/63/60/28/1138636028.db2.gz ZLIAWKRHYWAYEE-GJZGRUSLSA-N 0 3 336.476 3.982 20 10 EHCDHN C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cc(F)ccc1[O-] ZINC000185054722 1140133680 /nfs/dbraw/zinc/13/36/80/1140133680.db2.gz DRLACZRKGDPLPQ-AWEZNQCLSA-N 0 3 329.419 3.767 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cc(F)ccc1[O-] ZINC000185054743 1140134021 /nfs/dbraw/zinc/13/40/21/1140134021.db2.gz DRLACZRKGDPLPQ-CQSZACIVSA-N 0 3 329.419 3.767 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2cc(C)ccc2O)c(OC)c1OC ZINC000185067055 1140134695 /nfs/dbraw/zinc/13/46/95/1140134695.db2.gz GKSIWWGSEDNLQR-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN COc1ccccc1N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185244952 1140141148 /nfs/dbraw/zinc/14/11/48/1140141148.db2.gz QZFIBHUXORWWDC-AWEZNQCLSA-N 0 3 344.430 3.860 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CCOCC2)c1[O-] ZINC000187125158 1140240147 /nfs/dbraw/zinc/24/01/47/1140240147.db2.gz UHCYZPQHHBOBJR-LLVKDONJSA-N 0 3 328.250 3.540 20 10 EHCDHN Cn1cc([C@@H]2CSCC[N@@H+]2Cc2c([O-])ccc3ccccc32)cn1 ZINC000189875731 1140369378 /nfs/dbraw/zinc/36/93/78/1140369378.db2.gz CDZHJUPUMGAFBR-SFHVURJKSA-N 0 3 339.464 3.569 20 10 EHCDHN Cn1cc([C@@H]2CSCC[N@H+]2Cc2c([O-])ccc3ccccc32)cn1 ZINC000189875731 1140369384 /nfs/dbraw/zinc/36/93/84/1140369384.db2.gz CDZHJUPUMGAFBR-SFHVURJKSA-N 0 3 339.464 3.569 20 10 EHCDHN Cn1cc([C@@H]2CSCCN2Cc2c(O)ccc3ccccc32)cn1 ZINC000189875731 1140369392 /nfs/dbraw/zinc/36/93/92/1140369392.db2.gz CDZHJUPUMGAFBR-SFHVURJKSA-N 0 3 339.464 3.569 20 10 EHCDHN COc1cccc(CNCc2cccc(C)c2Br)c1O ZINC000190317271 1140398461 /nfs/dbraw/zinc/39/84/61/1140398461.db2.gz SZGOAFUZVWAUGT-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000266850993 1140730031 /nfs/dbraw/zinc/73/00/31/1140730031.db2.gz IUSHNGSKMTUJHN-OAHLLOKOSA-N 0 3 328.431 3.638 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000268825257 1141000241 /nfs/dbraw/zinc/00/02/41/1141000241.db2.gz KYIROJUXSIEQHO-AWEZNQCLSA-N 0 3 334.213 3.768 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1[O-] ZINC000278709855 1032084330 /nfs/dbraw/zinc/08/43/30/1032084330.db2.gz VONABQQIUHJZDQ-SUNKGSAMSA-N 0 3 328.250 3.539 20 10 EHCDHN COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000154152827 1015081377 /nfs/dbraw/zinc/08/13/77/1015081377.db2.gz SRRXKGIMIWHLTF-HOTGVXAUSA-N 0 3 326.440 3.578 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccccc1[O-] ZINC000155067895 1016105996 /nfs/dbraw/zinc/10/59/96/1016105996.db2.gz MNQFTECAWMNFFX-GUYCJALGSA-N 0 3 327.424 3.965 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000275283340 1016294989 /nfs/dbraw/zinc/29/49/89/1016294989.db2.gz FJKGSKNSRWYOGC-GVXVVHGQSA-N 0 3 328.250 3.681 20 10 EHCDHN C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183522954 1032177823 /nfs/dbraw/zinc/17/78/23/1032177823.db2.gz GURADOWYCHJESC-INIZCTEOSA-N 0 3 338.451 3.595 20 10 EHCDHN OC[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1C(F)(F)F ZINC000280103850 1020084906 /nfs/dbraw/zinc/08/49/06/1020084906.db2.gz AOZUFLWZGYOSKA-CQSZACIVSA-N 0 3 345.748 3.888 20 10 EHCDHN COc1ccc(CN(Cc2ccc(F)cc2)C2CC2)c(O)c1OC ZINC000891399826 1020916595 /nfs/dbraw/zinc/91/65/95/1020916595.db2.gz MLKJTWKCNCPHJW-UHFFFAOYSA-N 0 3 331.387 3.713 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(C)cc1[O-] ZINC000366677126 1021968815 /nfs/dbraw/zinc/96/88/15/1021968815.db2.gz OVQDZPPWJAADPG-AOIWGVFYSA-N 0 3 344.499 3.923 20 10 EHCDHN COc1ccc(CNCc2cc(C3CC3)ccc2F)c(O)c1OC ZINC000894665867 1022680774 /nfs/dbraw/zinc/68/07/74/1022680774.db2.gz BKJXQQXYDFJLBD-UHFFFAOYSA-N 0 3 331.387 3.716 20 10 EHCDHN COc1ccc(CN2CC[C@H](C(F)(F)F)C[C@@H]2C)c(O)c1OC ZINC000894706927 1022777523 /nfs/dbraw/zinc/77/75/23/1022777523.db2.gz IWGKLUFUSADKFL-JQWIXIFHSA-N 0 3 333.350 3.572 20 10 EHCDHN CCCCCn1cc(CNCc2cc(C)cc(OC)c2O)c(C)n1 ZINC000894366859 1023025543 /nfs/dbraw/zinc/02/55/43/1023025543.db2.gz HRVDUARNWDIAFM-UHFFFAOYSA-N 0 3 331.460 3.694 20 10 EHCDHN Cc1noc(C[C@H](NCc2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000277672563 1026510941 /nfs/dbraw/zinc/51/09/41/1026510941.db2.gz PAMYVUZPLDWPIG-IBGZPJMESA-N 0 3 336.439 3.518 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1[O-] ZINC000897245726 1026569315 /nfs/dbraw/zinc/56/93/15/1026569315.db2.gz HRHULJRSXGNXPK-AWEZNQCLSA-N 0 3 325.836 3.636 20 10 EHCDHN C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccccc1[O-] ZINC000272933286 1027184035 /nfs/dbraw/zinc/18/40/35/1027184035.db2.gz ZWKNBJZROFFIEZ-NSHDSACASA-N 0 3 326.318 3.536 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273213366 1027314469 /nfs/dbraw/zinc/31/44/69/1027314469.db2.gz UFCDAQNZSIEWFH-CRAIPNDOSA-N 0 3 327.424 3.628 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c(O)c1C ZINC000273527237 1027476700 /nfs/dbraw/zinc/47/67/00/1027476700.db2.gz VPUHWTFGESWMNO-LLVKDONJSA-N 0 3 327.350 3.612 20 10 EHCDHN CCCOc1ccc(CN[C@H](CCOC)c2ccc(C)o2)c(O)c1 ZINC000272234504 1029372915 /nfs/dbraw/zinc/37/29/15/1029372915.db2.gz GGNZCNVHUPWVOM-QGZVFWFLSA-N 0 3 333.428 3.950 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H](CCOC)c2ccc(C)o2)c([O-])c1 ZINC000272234504 1029372933 /nfs/dbraw/zinc/37/29/33/1029372933.db2.gz GGNZCNVHUPWVOM-QGZVFWFLSA-N 0 3 333.428 3.950 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000125279576 1029472032 /nfs/dbraw/zinc/47/20/32/1029472032.db2.gz RUUFREFOPLVIRU-INIZCTEOSA-N 0 3 327.424 3.718 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000125279576 1029472040 /nfs/dbraw/zinc/47/20/40/1029472040.db2.gz RUUFREFOPLVIRU-INIZCTEOSA-N 0 3 327.424 3.718 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)c2c1c(F)ccc2[O-] ZINC000527960770 1031524835 /nfs/dbraw/zinc/52/48/35/1031524835.db2.gz DXFNNGBJHOLTIY-ZBEGNZNMSA-N 0 3 325.387 3.756 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1ccccc1[O-] ZINC000527990021 1031548883 /nfs/dbraw/zinc/54/88/83/1031548883.db2.gz JHPDBKJDGYENIW-XHDPSFHLSA-N 0 3 348.805 3.641 20 10 EHCDHN CC1(C)C[C@@H](NCc2ccc3c(c2)CCCO3)c2cc(N)ccc2O1 ZINC000904354614 1031973108 /nfs/dbraw/zinc/97/31/08/1031973108.db2.gz HQBJRKPUNFOHPP-GOSISDBHSA-N 0 3 338.451 3.986 20 10 EHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000898182697 1033382462 /nfs/dbraw/zinc/38/24/62/1033382462.db2.gz VGPSOJWXGQYGBB-MRXNPFEDSA-N 0 3 326.488 3.908 20 10 EHCDHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000310028381 1034168102 /nfs/dbraw/zinc/16/81/02/1034168102.db2.gz QWKPSSUOYMGNNF-ZBFHGGJFSA-N 0 3 334.460 3.660 20 10 EHCDHN CCN(CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000310064451 1034219661 /nfs/dbraw/zinc/21/96/61/1034219661.db2.gz ATKMUBNKBCBYQZ-ZDUSSCGKSA-N 0 3 340.439 3.829 20 10 EHCDHN C[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000310077789 1034224685 /nfs/dbraw/zinc/22/46/85/1034224685.db2.gz QBTFSNOLMDFXJS-CQSZACIVSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1cc(CN2CCC(C(=O)c3ccccc3)CC2)c(O)cc1C ZINC000179435657 1034305198 /nfs/dbraw/zinc/30/51/98/1034305198.db2.gz AIPUOJXVOALBFQ-UHFFFAOYSA-N 0 3 339.435 3.804 20 10 EHCDHN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000529641896 1034334502 /nfs/dbraw/zinc/33/45/02/1034334502.db2.gz GGCCQRFGSYTUOK-UTKZUKDTSA-N 0 3 339.435 3.628 20 10 EHCDHN CCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@H]1CCCCO1 ZINC000761193978 1034377948 /nfs/dbraw/zinc/37/79/48/1034377948.db2.gz NTNULQULLJGKQS-OAHLLOKOSA-N 0 3 327.852 3.835 20 10 EHCDHN CCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C[C@H]1CCCCO1 ZINC000761193978 1034377959 /nfs/dbraw/zinc/37/79/59/1034377959.db2.gz NTNULQULLJGKQS-OAHLLOKOSA-N 0 3 327.852 3.835 20 10 EHCDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC000892461567 1034405644 /nfs/dbraw/zinc/40/56/44/1034405644.db2.gz HUCCAWJGMXNZQK-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000186152874 1035591802 /nfs/dbraw/zinc/59/18/02/1035591802.db2.gz SVCJWGWCARTTFG-GJZGRUSLSA-N 0 3 343.446 3.803 20 10 EHCDHN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000378494270 1038669136 /nfs/dbraw/zinc/66/91/36/1038669136.db2.gz KMZSCUPOWXJAOM-LJQANCHMSA-N 0 3 348.462 3.534 20 10 EHCDHN COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3cc(F)ccc3[O-])c21 ZINC000186507332 1039389621 /nfs/dbraw/zinc/38/96/21/1039389621.db2.gz KVDPOOOSEUMUAH-GFCCVEGCSA-N 0 3 328.387 3.915 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(C(=O)CC(C)C)CC1)c1ccc(C)cc1[O-] ZINC000279940446 1039591352 /nfs/dbraw/zinc/59/13/52/1039591352.db2.gz BEZNFNAVTUJKPR-SFHVURJKSA-N 0 3 332.488 3.778 20 10 EHCDHN CC[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccccc1[O-] ZINC000156538688 1041273754 /nfs/dbraw/zinc/27/37/54/1041273754.db2.gz IMCBORSNEIICRH-GOSISDBHSA-N 0 3 338.451 3.802 20 10 EHCDHN C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185003438 1126732844 /nfs/dbraw/zinc/73/28/44/1126732844.db2.gz UNYLSZILVGYGLC-INIZCTEOSA-N 0 3 342.458 3.889 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cc(F)ccc1[O-] ZINC000185094129 1126757046 /nfs/dbraw/zinc/75/70/46/1126757046.db2.gz ZVNSMRHOQFBKPH-CQSZACIVSA-N 0 3 325.387 3.627 20 10 EHCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCc2sccc2C1 ZINC000185174493 1126803284 /nfs/dbraw/zinc/80/32/84/1126803284.db2.gz QCIYAFCEXAZHIW-OLZOCXBDSA-N 0 3 334.460 3.690 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c([O-])c1 ZINC000185181922 1126804193 /nfs/dbraw/zinc/80/41/93/1126804193.db2.gz TVAFXQNQELILIX-KRWDZBQOSA-N 0 3 348.446 3.761 20 10 EHCDHN CN(Cc1ccccc1O)Cc1ccccc1OCC(F)(F)F ZINC000072629612 1126813011 /nfs/dbraw/zinc/81/30/11/1126813011.db2.gz PFASFYDZKXWFRV-UHFFFAOYSA-N 0 3 325.330 3.965 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185292988 1126859164 /nfs/dbraw/zinc/85/91/64/1126859164.db2.gz WJLBVRLBDMDIGI-CVEARBPZSA-N 0 3 348.487 3.998 20 10 EHCDHN C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1cc(F)ccc1[O-] ZINC000186108487 1127274729 /nfs/dbraw/zinc/27/47/29/1127274729.db2.gz QWKWUPHBWOOJST-SNVBAGLBSA-N 0 3 344.308 3.675 20 10 EHCDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000763083415 1121677217 /nfs/dbraw/zinc/67/72/17/1121677217.db2.gz HIXCMODCCUZIRO-CABCVRRESA-N 0 3 340.427 3.647 20 10 EHCDHN C[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@H](C)CO ZINC000763083420 1121677376 /nfs/dbraw/zinc/67/73/76/1121677376.db2.gz HIXCMODCCUZIRO-HUUCEWRRSA-N 0 3 340.427 3.647 20 10 EHCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1cccc(Cl)c1 ZINC000920432799 1123373236 /nfs/dbraw/zinc/37/32/36/1123373236.db2.gz DPISKDKKPGIDRJ-UHFFFAOYSA-N 0 3 345.874 3.573 20 10 EHCDHN COc1cc(O)c(CN2CC[C@H](C)C[C@H]2c2ccco2)cc1OC ZINC000180565100 1124032646 /nfs/dbraw/zinc/03/26/46/1124032646.db2.gz OLRJNDAJDUFUKD-ZFWWWQNUSA-N 0 3 331.412 3.976 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000922329358 1129470505 /nfs/dbraw/zinc/47/05/05/1129470505.db2.gz NSKNWJYMXNNKPV-RBSFLKMASA-N 0 3 334.460 3.736 20 10 EHCDHN CCOCc1cc(CNCc2ccc3c(c2)C[C@H](C)O3)ccc1OC ZINC000922702215 1129636461 /nfs/dbraw/zinc/63/64/61/1129636461.db2.gz HCUXPPAPHZIVLY-HNNXBMFYSA-N 0 3 341.451 3.845 20 10 EHCDHN COc1cccc2c1OCC[C@@H]2NCc1ccc(N(C)C)cc1C ZINC000766029357 1129843300 /nfs/dbraw/zinc/84/33/00/1129843300.db2.gz JIRAUJQZLODCDB-SFHVURJKSA-N 0 3 326.440 3.683 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000700641867 1130054119 /nfs/dbraw/zinc/05/41/19/1130054119.db2.gz SIEDOIINHYBFPI-RHSMWYFYSA-N 0 3 346.421 3.671 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1[O-] ZINC000700751298 1130064508 /nfs/dbraw/zinc/06/45/08/1130064508.db2.gz FNOWVTCCCUPDCD-CWRNSKLLSA-N 0 3 334.460 3.831 20 10 EHCDHN CCCN(CCC)c1ccc(CNCC(=O)NC2CCCCC2)cc1 ZINC000732230545 1130902897 /nfs/dbraw/zinc/90/28/97/1130902897.db2.gz LFVJECZVJZSQJY-UHFFFAOYSA-N 0 3 345.531 3.852 20 10 EHCDHN CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000378917359 1131167454 /nfs/dbraw/zinc/16/74/54/1131167454.db2.gz MZFJQMQSQBMANU-LJQANCHMSA-N 0 3 334.460 3.519 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000766475607 1132552926 /nfs/dbraw/zinc/55/29/26/1132552926.db2.gz ZTAWPDYZJCJKCR-NRFANRHFSA-N 0 3 349.430 3.891 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001169754800 1132846774 /nfs/dbraw/zinc/84/67/74/1132846774.db2.gz PCFBUVDJXCTCOD-UHFFFAOYSA-N 0 3 334.460 3.614 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001169754800 1132846784 /nfs/dbraw/zinc/84/67/84/1132846784.db2.gz PCFBUVDJXCTCOD-UHFFFAOYSA-N 0 3 334.460 3.614 20 10 EHCDHN CCCCN(Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001169754800 1132846792 /nfs/dbraw/zinc/84/67/92/1132846792.db2.gz PCFBUVDJXCTCOD-UHFFFAOYSA-N 0 3 334.460 3.614 20 10 EHCDHN CCOc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(O)c1 ZINC000768337565 1133126278 /nfs/dbraw/zinc/12/62/78/1133126278.db2.gz SWJPTZUFXVFRGC-UHFFFAOYSA-N 0 3 342.395 3.864 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000768350233 1133128974 /nfs/dbraw/zinc/12/89/74/1133128974.db2.gz BSTAJXUXLNDLAU-UHFFFAOYSA-N 0 3 328.456 3.877 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000768350233 1133128976 /nfs/dbraw/zinc/12/89/76/1133128976.db2.gz BSTAJXUXLNDLAU-UHFFFAOYSA-N 0 3 328.456 3.877 20 10 EHCDHN CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438516 1133137877 /nfs/dbraw/zinc/13/78/77/1133137877.db2.gz AYEWDGLRFFSSOC-KUHUBIRLSA-N 0 3 327.424 3.619 20 10 EHCDHN CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438516 1133137880 /nfs/dbraw/zinc/13/78/80/1133137880.db2.gz AYEWDGLRFFSSOC-KUHUBIRLSA-N 0 3 327.424 3.619 20 10 EHCDHN CCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccccc1[O-] ZINC000769201626 1133242876 /nfs/dbraw/zinc/24/28/76/1133242876.db2.gz YGZGNXRPMUUAMB-UHFFFAOYSA-N 0 3 338.451 3.697 20 10 EHCDHN CCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccccc1[O-] ZINC000769201626 1133242881 /nfs/dbraw/zinc/24/28/81/1133242881.db2.gz YGZGNXRPMUUAMB-UHFFFAOYSA-N 0 3 338.451 3.697 20 10 EHCDHN CCc1ccc2c(c1)[C@H](NCc1cc(OC)c(OC)cc1O)CCO2 ZINC001180646127 1133401898 /nfs/dbraw/zinc/40/18/98/1133401898.db2.gz ICBMHEAHIHRZRS-MRXNPFEDSA-N 0 3 343.423 3.585 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c([O-])c1 ZINC000770747856 1133468534 /nfs/dbraw/zinc/46/85/34/1133468534.db2.gz QVZWMDPJOIRWTG-YJYMSZOUSA-N 0 3 333.403 3.796 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c2c1c(F)ccc2[O-] ZINC000774381916 1133667807 /nfs/dbraw/zinc/66/78/07/1133667807.db2.gz CYOLVWCLNPRFOY-PSASIEDQSA-N 0 3 339.304 3.586 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000774481647 1133687340 /nfs/dbraw/zinc/68/73/40/1133687340.db2.gz CMFOJKIGVWZNPH-OLZOCXBDSA-N 0 3 347.409 3.709 20 10 EHCDHN Cc1cc(Br)cc(CNCc2ccc3c(c2)CCO3)c1 ZINC000774981638 1134175477 /nfs/dbraw/zinc/17/54/77/1134175477.db2.gz IHWLYIBXPLCVEN-UHFFFAOYSA-N 0 3 332.241 3.982 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)c2c1 ZINC000789504274 1134287242 /nfs/dbraw/zinc/28/72/42/1134287242.db2.gz JAVLNDDLESOWJB-UYAOXDASSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)c2c1 ZINC000789504274 1134287249 /nfs/dbraw/zinc/28/72/49/1134287249.db2.gz JAVLNDDLESOWJB-UYAOXDASSA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCCCC2CCCCC2)c1 ZINC000775373165 1134681267 /nfs/dbraw/zinc/68/12/67/1134681267.db2.gz OONVKDOFCHOOJQ-OAHLLOKOSA-N 0 3 348.487 3.528 20 10 EHCDHN CO[C@@]1(C)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000793216984 1134873726 /nfs/dbraw/zinc/87/37/26/1134873726.db2.gz KYQQWPGOOPNQST-NRFANRHFSA-N 0 3 341.451 3.972 20 10 EHCDHN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000793216984 1134873734 /nfs/dbraw/zinc/87/37/34/1134873734.db2.gz KYQQWPGOOPNQST-NRFANRHFSA-N 0 3 341.451 3.972 20 10 EHCDHN CC(C)([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)N1CCCC1 ZINC000793394766 1134924019 /nfs/dbraw/zinc/92/40/19/1134924019.db2.gz KMHMVPSCWWGBFL-UHFFFAOYSA-N 0 3 338.451 3.550 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)c2c1 ZINC000793747242 1134988863 /nfs/dbraw/zinc/98/88/63/1134988863.db2.gz OFLRELTXKVCMQV-KRWDZBQOSA-N 0 3 341.451 3.803 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@@H](C4CCC4)C3)c2c1 ZINC000793747242 1134988868 /nfs/dbraw/zinc/98/88/68/1134988868.db2.gz OFLRELTXKVCMQV-KRWDZBQOSA-N 0 3 341.451 3.803 20 10 EHCDHN COc1cccc([C@@H](C)N2CCN(Cc3cccc(C)c3O)CC2)c1 ZINC000775676695 1135503490 /nfs/dbraw/zinc/50/34/90/1135503490.db2.gz XUCWJHRHFVXRLD-QGZVFWFLSA-N 0 3 340.467 3.588 20 10 EHCDHN CN1CCN(c2ccc(CN3CC[C@@H]3c3cccc(F)c3)cc2)CC1 ZINC000775724765 1135580783 /nfs/dbraw/zinc/58/07/83/1135580783.db2.gz KLHZZVUVCPXPQJ-OAQYLSRUSA-N 0 3 339.458 3.525 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c([O-])c1 ZINC000808437488 1135667462 /nfs/dbraw/zinc/66/74/62/1135667462.db2.gz PWFCKUWWGVLTCG-JXFKEZNVSA-N 0 3 340.467 3.544 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCCCCC2=O)c1[O-] ZINC000808673172 1135713894 /nfs/dbraw/zinc/71/38/94/1135713894.db2.gz ZBGIOZJZKYGRGK-CQSZACIVSA-N 0 3 338.879 3.797 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1[O-] ZINC000808675376 1135714156 /nfs/dbraw/zinc/71/41/56/1135714156.db2.gz DZKPSAMMSYDLOE-ZDUSSCGKSA-N 0 3 333.863 3.780 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000808675446 1135714470 /nfs/dbraw/zinc/71/44/70/1135714470.db2.gz GZFMDTUOSGXVKJ-CYBMUJFWSA-N 0 3 338.879 3.652 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1[O-] ZINC000808701366 1135726867 /nfs/dbraw/zinc/72/68/67/1135726867.db2.gz VRNYEMHWWXNOPB-CYBMUJFWSA-N 0 3 338.879 3.796 20 10 EHCDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)s1 ZINC000775829886 1135784371 /nfs/dbraw/zinc/78/43/71/1135784371.db2.gz ABPDZNIYHCVJCS-LBPRGKRZSA-N 0 3 332.469 3.760 20 10 EHCDHN CCc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775833989 1135799132 /nfs/dbraw/zinc/79/91/32/1135799132.db2.gz NTKZKHZKTDADQQ-OAHLLOKOSA-N 0 3 325.456 3.604 20 10 EHCDHN C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)Cc1ccccc1[O-] ZINC000809548802 1135855378 /nfs/dbraw/zinc/85/53/78/1135855378.db2.gz JNCMZGBCAYZLDZ-UHFFFAOYSA-N 0 3 336.476 3.860 20 10 EHCDHN C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)Cc1ccccc1[O-] ZINC000809548802 1135855381 /nfs/dbraw/zinc/85/53/81/1135855381.db2.gz JNCMZGBCAYZLDZ-UHFFFAOYSA-N 0 3 336.476 3.860 20 10 EHCDHN COC(=O)CCCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809727648 1135872849 /nfs/dbraw/zinc/87/28/49/1135872849.db2.gz QIJJBXVLXUOFEL-UHFFFAOYSA-N 0 3 327.424 3.882 20 10 EHCDHN CCC[C@]1(CO)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000809790809 1135893054 /nfs/dbraw/zinc/89/30/54/1135893054.db2.gz PQSFNASNTHZGPG-KRWDZBQOSA-N 0 3 344.421 3.756 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219139 1135938842 /nfs/dbraw/zinc/93/88/42/1135938842.db2.gz FQUIMKFXNSMPOI-ZLDLUXBVSA-N 0 3 330.394 3.934 20 10 EHCDHN COc1ccc(CNCc2cc3ccccc3[nH]2)cc1Cn1cccn1 ZINC001202387129 1136131518 /nfs/dbraw/zinc/13/15/18/1136131518.db2.gz DPZIRXGVBTTWMP-UHFFFAOYSA-N 0 3 346.434 3.711 20 10 EHCDHN COc1cncc(CNCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000850129788 1136213129 /nfs/dbraw/zinc/21/31/29/1136213129.db2.gz XFFMFBIBMXVOQW-UHFFFAOYSA-N 0 3 325.456 3.616 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812741547 1136240774 /nfs/dbraw/zinc/24/07/74/1136240774.db2.gz VEVVEIYLJWFEHA-WMLDXEAASA-N 0 3 342.414 3.686 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1[O-] ZINC000850502840 1136272629 /nfs/dbraw/zinc/27/26/29/1136272629.db2.gz RRMRAJNABZQKAS-WKOIZYLHSA-N 0 3 329.893 3.694 20 10 EHCDHN C[C@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1(CO)CC1 ZINC000850515151 1136275435 /nfs/dbraw/zinc/27/54/35/1136275435.db2.gz IWQOOIKOCHURNC-QFBILLFUSA-N 0 3 325.452 3.817 20 10 EHCDHN CC[C@H]([NH2+]CC1(CC(=O)NC)CCCCC1)c1ccc(C)cc1[O-] ZINC000850556578 1136284676 /nfs/dbraw/zinc/28/46/76/1136284676.db2.gz RMVPXVVIXDPGAE-KRWDZBQOSA-N 0 3 332.488 3.828 20 10 EHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000850565711 1136286851 /nfs/dbraw/zinc/28/68/51/1136286851.db2.gz HMESGJCJISKPAX-OAHLLOKOSA-N 0 3 328.456 3.708 20 10 EHCDHN CCC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000850568049 1136288113 /nfs/dbraw/zinc/28/81/13/1136288113.db2.gz OKZICBBVMNQLQV-NRFANRHFSA-N 0 3 339.483 3.674 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)c1cccc(F)c1 ZINC000109761230 1136339212 /nfs/dbraw/zinc/33/92/12/1136339212.db2.gz SOIRDXXCFWTNGM-FQEVSTJZSA-N 0 3 341.382 3.860 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853610961 1136549167 /nfs/dbraw/zinc/54/91/67/1136549167.db2.gz VULJAFCKXTXDNT-KXBFYZLASA-N 0 3 331.456 3.610 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000853610961 1136549170 /nfs/dbraw/zinc/54/91/70/1136549170.db2.gz VULJAFCKXTXDNT-KXBFYZLASA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000815150252 1136557341 /nfs/dbraw/zinc/55/73/41/1136557341.db2.gz UYPFCSFOPKPMQI-HNNXBMFYSA-N 0 3 338.430 3.928 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000815559212 1136610798 /nfs/dbraw/zinc/61/07/98/1136610798.db2.gz AIZRVSGJNNABFW-INIZCTEOSA-N 0 3 325.456 3.724 20 10 EHCDHN CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815564052 1136611278 /nfs/dbraw/zinc/61/12/78/1136611278.db2.gz WAPNTVVEDZXRKW-OLZOCXBDSA-N 0 3 330.394 3.794 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOCC(F)F ZINC000815619273 1136619831 /nfs/dbraw/zinc/61/98/31/1136619831.db2.gz IHWYKEOEVNJEHI-QGZVFWFLSA-N 0 3 335.394 3.937 20 10 EHCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000815632971 1136621832 /nfs/dbraw/zinc/62/18/32/1136621832.db2.gz CJKKBRLWWNSWTL-DGCLKSJQSA-N 0 3 326.868 3.557 20 10 EHCDHN COc1ccccc1C[N@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816491685 1136724490 /nfs/dbraw/zinc/72/44/90/1136724490.db2.gz VLMJFUHCZHMASP-UHFFFAOYSA-N 0 3 337.419 3.549 20 10 EHCDHN COc1ccccc1C[N@@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816491685 1136724494 /nfs/dbraw/zinc/72/44/94/1136724494.db2.gz VLMJFUHCZHMASP-UHFFFAOYSA-N 0 3 337.419 3.549 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000816521049 1136726871 /nfs/dbraw/zinc/72/68/71/1136726871.db2.gz FAGRGULXTVSXPN-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000816521049 1136726876 /nfs/dbraw/zinc/72/68/76/1136726876.db2.gz FAGRGULXTVSXPN-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000816521049 1136726880 /nfs/dbraw/zinc/72/68/80/1136726880.db2.gz FAGRGULXTVSXPN-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000816521049 1136726883 /nfs/dbraw/zinc/72/68/83/1136726883.db2.gz FAGRGULXTVSXPN-YVEFUNNKSA-N 0 3 338.854 3.633 20 10 EHCDHN CCOCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816639277 1136742981 /nfs/dbraw/zinc/74/29/81/1136742981.db2.gz MTVMOTKHHPCZMU-UHFFFAOYSA-N 0 3 329.440 3.876 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000776864783 1136748851 /nfs/dbraw/zinc/74/88/51/1136748851.db2.gz MHLNJCWDTZUSJY-YQQAZPJKSA-N 0 3 334.460 3.690 20 10 EHCDHN CC[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000817940404 1136848098 /nfs/dbraw/zinc/84/80/98/1136848098.db2.gz MOQKNKCSVFJSGS-KRWDZBQOSA-N 0 3 333.863 3.661 20 10 EHCDHN COc1ccc(Cl)cc1C(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000818232265 1136868124 /nfs/dbraw/zinc/86/81/24/1136868124.db2.gz XGKVZRIGGHYZJK-UHFFFAOYSA-N 0 3 349.814 3.808 20 10 EHCDHN CCOc1cc(CNCc2ccc(N(C)C)cc2C)ccc1OC ZINC000115629486 1136909429 /nfs/dbraw/zinc/90/94/29/1136909429.db2.gz SAHNKPGKOIWRPY-UHFFFAOYSA-N 0 3 328.456 3.758 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@@H]3CCCc4scnc43)C2)cc1 ZINC000858427286 1136966854 /nfs/dbraw/zinc/96/68/54/1136966854.db2.gz BWUOFTDZPVSOKT-RHSMWYFYSA-N 0 3 343.496 3.645 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c([O-])c1 ZINC000822530193 1137062434 /nfs/dbraw/zinc/06/24/34/1137062434.db2.gz TTWCVKWPMUWXAW-LJQANCHMSA-N 0 3 331.456 3.572 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c([O-])c1 ZINC000822530193 1137062435 /nfs/dbraw/zinc/06/24/35/1137062435.db2.gz TTWCVKWPMUWXAW-LJQANCHMSA-N 0 3 331.456 3.572 20 10 EHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc2c(c1)OCCCCO2 ZINC000823850359 1137116194 /nfs/dbraw/zinc/11/61/94/1137116194.db2.gz AAIDADOCJBRJPC-UHFFFAOYSA-N 0 3 340.467 3.902 20 10 EHCDHN COCc1csc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000824506990 1137142347 /nfs/dbraw/zinc/14/23/47/1137142347.db2.gz CPIMUBOBIGYVDL-QGZVFWFLSA-N 0 3 347.480 3.781 20 10 EHCDHN COCc1csc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000824506990 1137142348 /nfs/dbraw/zinc/14/23/48/1137142348.db2.gz CPIMUBOBIGYVDL-QGZVFWFLSA-N 0 3 347.480 3.781 20 10 EHCDHN COCc1csc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000824506990 1137142350 /nfs/dbraw/zinc/14/23/50/1137142350.db2.gz CPIMUBOBIGYVDL-QGZVFWFLSA-N 0 3 347.480 3.781 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1[O-] ZINC000824953201 1137159290 /nfs/dbraw/zinc/15/92/90/1137159290.db2.gz IGVLRJODQAOQBJ-IAGOWNOFSA-N 0 3 332.831 3.759 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccccc1[O-] ZINC000825117461 1137166525 /nfs/dbraw/zinc/16/65/25/1137166525.db2.gz DQYHRQFHRIQESE-OGWHTMIXSA-N 0 3 343.471 3.827 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000794817077 1137265248 /nfs/dbraw/zinc/26/52/48/1137265248.db2.gz OTNZSICSIBXGCE-RTBURBONSA-N 0 3 338.451 3.855 20 10 EHCDHN CCc1cccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000845926846 1137320696 /nfs/dbraw/zinc/32/06/96/1137320696.db2.gz TUYZOEYLBQCGJT-UHFFFAOYSA-N 0 3 342.458 3.639 20 10 EHCDHN C[C@H](CO)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000846057342 1137327688 /nfs/dbraw/zinc/32/76/88/1137327688.db2.gz HGVAHOXOTSFWKX-CYBMUJFWSA-N 0 3 344.421 3.612 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000846209578 1137339433 /nfs/dbraw/zinc/33/94/33/1137339433.db2.gz FNFZWDQBZIGDFW-LBPRGKRZSA-N 0 3 342.277 3.666 20 10 EHCDHN C[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407759 1137352365 /nfs/dbraw/zinc/35/23/65/1137352365.db2.gz XKJDQHQMRXJTPN-XHDPSFHLSA-N 0 3 325.330 3.795 20 10 EHCDHN C[C@@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000866407757 1137352477 /nfs/dbraw/zinc/35/24/77/1137352477.db2.gz XKJDQHQMRXJTPN-IAQYHMDHSA-N 0 3 325.330 3.795 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cc(F)ccc1[O-] ZINC000866421841 1137353453 /nfs/dbraw/zinc/35/34/53/1137353453.db2.gz CCJFXJRXVLWJOG-ZDUSSCGKSA-N 0 3 331.387 3.602 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000866464451 1137356940 /nfs/dbraw/zinc/35/69/40/1137356940.db2.gz JHEBJFZGLWWMJW-WOSRLPQWSA-N 0 3 330.394 3.639 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](CCCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000846841397 1137371143 /nfs/dbraw/zinc/37/11/43/1137371143.db2.gz MVSFTTFNLZTAME-KRWDZBQOSA-N 0 3 340.467 3.824 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](CCCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000846841397 1137371145 /nfs/dbraw/zinc/37/11/45/1137371145.db2.gz MVSFTTFNLZTAME-KRWDZBQOSA-N 0 3 340.467 3.824 20 10 EHCDHN C/C(=C\c1cccnc1)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000846882400 1137373479 /nfs/dbraw/zinc/37/34/79/1137373479.db2.gz JSEMQBYFDHKJOS-FBMGVBCBSA-N 0 3 335.451 3.614 20 10 EHCDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000773121415 1137466778 /nfs/dbraw/zinc/46/67/78/1137466778.db2.gz ZHGXXQUNECZGPZ-LRDDRELGSA-N 0 3 348.384 3.780 20 10 EHCDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(O)c1 ZINC000876532108 1137654701 /nfs/dbraw/zinc/65/47/01/1137654701.db2.gz YCTCTKINNMLCPI-GOSISDBHSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(O)c1 ZINC000876532108 1137654702 /nfs/dbraw/zinc/65/47/02/1137654702.db2.gz YCTCTKINNMLCPI-GOSISDBHSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c([O-])c1 ZINC000876959388 1137666211 /nfs/dbraw/zinc/66/62/11/1137666211.db2.gz RLPIOZYBYSOGEK-FQEVSTJZSA-N 0 3 325.408 3.713 20 10 EHCDHN COc1ccc(Br)c(CNCc2c(C)cccc2O)c1 ZINC000876985146 1137666789 /nfs/dbraw/zinc/66/67/89/1137666789.db2.gz UUIIEEGRKUAWHU-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000876988388 1137667004 /nfs/dbraw/zinc/66/70/04/1137667004.db2.gz DEDKFZFGGCQQIN-AWEZNQCLSA-N 0 3 332.394 3.595 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(O)cc2Cl)c1 ZINC000877533337 1137680168 /nfs/dbraw/zinc/68/01/68/1137680168.db2.gz MVNXGICLFZIJOQ-JTQLQIEISA-N 0 3 337.803 3.619 20 10 EHCDHN CC(C)(NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000877546884 1137680832 /nfs/dbraw/zinc/68/08/32/1137680832.db2.gz XULUQCGDWFCSDP-UHFFFAOYSA-N 0 3 342.458 3.812 20 10 EHCDHN CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755955 1137688102 /nfs/dbraw/zinc/68/81/02/1137688102.db2.gz UVTUIHCWIKUILK-MCIONIFRSA-N 0 3 341.398 3.800 20 10 EHCDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000877757374 1137688331 /nfs/dbraw/zinc/68/83/31/1137688331.db2.gz UVTUIHCWIKUILK-MELADBBJSA-N 0 3 341.398 3.800 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCOCC2 ZINC000878565071 1137720455 /nfs/dbraw/zinc/72/04/55/1137720455.db2.gz HRDFSCUCIGPSLR-SFHVURJKSA-N 0 3 333.472 3.580 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCOCC2 ZINC000878565071 1137720456 /nfs/dbraw/zinc/72/04/56/1137720456.db2.gz HRDFSCUCIGPSLR-SFHVURJKSA-N 0 3 333.472 3.580 20 10 EHCDHN C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879647697 1137753478 /nfs/dbraw/zinc/75/34/78/1137753478.db2.gz INHWCJCBRZWWJN-CHWSQXEVSA-N 0 3 332.831 3.574 20 10 EHCDHN C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879649779 1137753591 /nfs/dbraw/zinc/75/35/91/1137753591.db2.gz GTYWLTYBHNCCLL-IYOUNJFTSA-N 0 3 342.414 3.544 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCSc2ccccc21 ZINC000879648434 1137753599 /nfs/dbraw/zinc/75/35/99/1137753599.db2.gz OPHGEDPXNVIZON-ZIAGYGMSSA-N 0 3 342.464 3.570 20 10 EHCDHN C[C@@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879649249 1137753681 /nfs/dbraw/zinc/75/36/81/1137753681.db2.gz OKHRDZXKAJRRIG-MGPQQGTHSA-N 0 3 346.858 3.962 20 10 EHCDHN CCn1cc(CNCc2ccc3c(c2)CCO3)c(-c2ccccc2)n1 ZINC000882954871 1137839629 /nfs/dbraw/zinc/83/96/29/1137839629.db2.gz XOKIKGALGLKOKQ-UHFFFAOYSA-N 0 3 333.435 3.795 20 10 EHCDHN C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000883275083 1137851859 /nfs/dbraw/zinc/85/18/59/1137851859.db2.gz FWQDWHBLZOUNFG-XHDPSFHLSA-N 0 3 336.229 3.539 20 10 EHCDHN CCC[N@H+](CCC(=O)N(C)c1ccccc1)Cc1ccccc1[O-] ZINC000135111112 1137963712 /nfs/dbraw/zinc/96/37/12/1137963712.db2.gz SMODBPLUAKHLBN-UHFFFAOYSA-N 0 3 326.440 3.657 20 10 EHCDHN CCC[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1ccccc1[O-] ZINC000135111112 1137963713 /nfs/dbraw/zinc/96/37/13/1137963713.db2.gz SMODBPLUAKHLBN-UHFFFAOYSA-N 0 3 326.440 3.657 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180799922 1139864625 /nfs/dbraw/zinc/86/46/25/1139864625.db2.gz ZZCOWLPSEXEHGK-CYBMUJFWSA-N 0 3 343.324 3.584 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180799922 1139864635 /nfs/dbraw/zinc/86/46/35/1139864635.db2.gz ZZCOWLPSEXEHGK-CYBMUJFWSA-N 0 3 343.324 3.584 20 10 EHCDHN Cc1cc(Cl)cc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182106906 1139951170 /nfs/dbraw/zinc/95/11/70/1139951170.db2.gz IXAFEAADRJJORW-AOMKIAJQSA-N 0 3 337.872 3.563 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1[O-] ZINC000182106906 1139951174 /nfs/dbraw/zinc/95/11/74/1139951174.db2.gz IXAFEAADRJJORW-AOMKIAJQSA-N 0 3 337.872 3.563 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000182327080 1139965220 /nfs/dbraw/zinc/96/52/20/1139965220.db2.gz APXHWDXNQWJOTJ-OAHLLOKOSA-N 0 3 342.439 3.615 20 10 EHCDHN COc1cc2c(cc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-])O[C@@H](C)C2 ZINC000184975688 1140129175 /nfs/dbraw/zinc/12/91/75/1140129175.db2.gz WQJBAZDRCTYRDI-RYUDHWBXSA-N 0 3 331.387 3.714 20 10 EHCDHN CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185077904 1140135355 /nfs/dbraw/zinc/13/53/55/1140135355.db2.gz BLBRBUUKDUWNPT-CYBMUJFWSA-N 0 3 336.451 3.609 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c1[O-] ZINC000187233845 1140245677 /nfs/dbraw/zinc/24/56/77/1140245677.db2.gz GNPMJIYBZHSFAB-JLLWLGSASA-N 0 3 330.266 3.521 20 10 EHCDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000271456290 1141371900 /nfs/dbraw/zinc/37/19/00/1141371900.db2.gz GVEGGJDBABLNDJ-XJKSGUPXSA-N 0 3 330.394 3.641 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1[O-] ZINC000275274083 1016249750 /nfs/dbraw/zinc/24/97/50/1016249750.db2.gz CNHRAQYGIGRRLB-MNOVXSKESA-N 0 3 338.249 3.608 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCOC2)c1[O-] ZINC000275369383 1016589590 /nfs/dbraw/zinc/58/95/90/1016589590.db2.gz VISYRMABBITGCL-VXGBXAGGSA-N 0 3 328.250 3.540 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293971891 1017803787 /nfs/dbraw/zinc/80/37/87/1017803787.db2.gz KDICFKHFCTUSGD-QGZVFWFLSA-N 0 3 341.451 3.566 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293971891 1017803809 /nfs/dbraw/zinc/80/38/09/1017803809.db2.gz KDICFKHFCTUSGD-QGZVFWFLSA-N 0 3 341.451 3.566 20 10 EHCDHN Fc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000072063818 1017989149 /nfs/dbraw/zinc/98/91/49/1017989149.db2.gz NFYAQYKKEMOKOH-UHFFFAOYSA-N 0 3 334.822 3.606 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCCOCC(F)(F)F)Cc1ccco1 ZINC000077284160 1021386171 /nfs/dbraw/zinc/38/61/71/1021386171.db2.gz MKELBAHWDPKYRB-UHFFFAOYSA-N 0 3 343.345 3.956 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCCOCC(F)(F)F)Cc1ccco1 ZINC000077284160 1021386186 /nfs/dbraw/zinc/38/61/86/1021386186.db2.gz MKELBAHWDPKYRB-UHFFFAOYSA-N 0 3 343.345 3.956 20 10 EHCDHN CCOc1cccc(CN[C@H](COC)c2cccc(Cl)c2)c1O ZINC000288596444 1021530814 /nfs/dbraw/zinc/53/08/14/1021530814.db2.gz PEWFXXPADHUAHY-MRXNPFEDSA-N 0 3 335.831 3.922 20 10 EHCDHN Cc1noc(C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])c2ccccc2)n1 ZINC000277151955 1023885438 /nfs/dbraw/zinc/88/54/38/1023885438.db2.gz QIVJASLDWQTLRE-SJCJKPOMSA-N 0 3 341.386 3.857 20 10 EHCDHN CC[C@@H]([NH2+][C@H](CCO)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280196161 1023998500 /nfs/dbraw/zinc/99/85/00/1023998500.db2.gz SOCBKZGWXJVOHK-RTBURBONSA-N 0 3 329.440 3.874 20 10 EHCDHN C[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1O ZINC000280908679 1024423886 /nfs/dbraw/zinc/42/38/86/1024423886.db2.gz GGYYWHQHGKRAAZ-FZMZJTMJSA-N 0 3 341.329 3.675 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896515735 1025523717 /nfs/dbraw/zinc/52/37/17/1025523717.db2.gz HSKYPJSEHALJNB-ZDUSSCGKSA-N 0 3 344.480 3.726 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896515735 1025523725 /nfs/dbraw/zinc/52/37/25/1025523725.db2.gz HSKYPJSEHALJNB-ZDUSSCGKSA-N 0 3 344.480 3.726 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(Br)ccc1[O-] ZINC000044534535 1025937026 /nfs/dbraw/zinc/93/70/26/1025937026.db2.gz IINPGTBMAFFWDO-DOMZBBRYSA-N 0 3 341.293 3.537 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000192936517 1026649215 /nfs/dbraw/zinc/64/92/15/1026649215.db2.gz GYEMACGFMXHBFZ-OAHLLOKOSA-N 0 3 331.412 3.659 20 10 EHCDHN CCOCCOCc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000272813386 1027129970 /nfs/dbraw/zinc/12/99/70/1027129970.db2.gz DOPUFHFWEKABHF-INIZCTEOSA-N 0 3 329.440 3.796 20 10 EHCDHN COc1cc(C)cc(CNCc2ccccc2OC2CCC2)c1O ZINC000894259670 1028528470 /nfs/dbraw/zinc/52/84/70/1028528470.db2.gz HMBAWJHPUCDXDX-UHFFFAOYSA-N 0 3 327.424 3.930 20 10 EHCDHN CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000272209783 1029360228 /nfs/dbraw/zinc/36/02/28/1029360228.db2.gz AEJPAQVOBKRJIX-FQEVSTJZSA-N 0 3 328.431 3.903 20 10 EHCDHN COc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)c([O-])c1 ZINC000092223608 1030040891 /nfs/dbraw/zinc/04/08/91/1030040891.db2.gz XIFCIUXZONSREO-UHFFFAOYSA-N 0 3 327.424 3.692 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528003557 1031569201 /nfs/dbraw/zinc/56/92/01/1031569201.db2.gz PSGNEXOKRJVMAC-PXAZEXFGSA-N 0 3 344.842 3.832 20 10 EHCDHN COc1ccc(N2CCC(NCc3cc(C(C)C)no3)CC2)cc1 ZINC000169244159 1034161489 /nfs/dbraw/zinc/16/14/89/1034161489.db2.gz KUTCYCXWMKOFTQ-UHFFFAOYSA-N 0 3 329.444 3.565 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000761196008 1034392495 /nfs/dbraw/zinc/39/24/95/1034392495.db2.gz RQDCAWRGOUHRLX-UHFFFAOYSA-N 0 3 336.476 3.908 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000761196008 1034392507 /nfs/dbraw/zinc/39/25/07/1034392507.db2.gz RQDCAWRGOUHRLX-UHFFFAOYSA-N 0 3 336.476 3.908 20 10 EHCDHN CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202806 1034409235 /nfs/dbraw/zinc/40/92/35/1034409235.db2.gz MSRBTOOMUZIINO-KRWDZBQOSA-N 0 3 349.858 3.827 20 10 EHCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202806 1034409242 /nfs/dbraw/zinc/40/92/42/1034409242.db2.gz MSRBTOOMUZIINO-KRWDZBQOSA-N 0 3 349.858 3.827 20 10 EHCDHN COc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)c(O)c1OC ZINC000892475510 1034552795 /nfs/dbraw/zinc/55/27/95/1034552795.db2.gz JVZRMSZOZCHKFN-CQSZACIVSA-N 0 3 349.427 3.875 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c([O-])c1 ZINC000185718905 1035522479 /nfs/dbraw/zinc/52/24/79/1035522479.db2.gz UCCFURWKKLTDHU-ZIAGYGMSSA-N 0 3 331.847 3.679 20 10 EHCDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C(C)C)c(C)cc3O)[C@H]2C1 ZINC000165275067 1036374804 /nfs/dbraw/zinc/37/48/04/1036374804.db2.gz VREFFPUUQPCINP-IMFGXOCKSA-N 0 3 333.472 3.592 20 10 EHCDHN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000171166185 1037490698 /nfs/dbraw/zinc/49/06/98/1037490698.db2.gz KGQXHEAYCQEGHO-UHFFFAOYSA-N 0 3 341.455 3.898 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000179875327 1037954601 /nfs/dbraw/zinc/95/46/01/1037954601.db2.gz LOWRZDZWIXRQFG-CABCVRRESA-N 0 3 334.460 3.690 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(C)cc1[O-] ZINC000279928055 1039596938 /nfs/dbraw/zinc/59/69/38/1039596938.db2.gz AMEYSOHOPAPSDZ-HXUWFJFHSA-N 0 3 339.483 3.801 20 10 EHCDHN CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCCc2c1cnn2C ZINC000162736840 1041282488 /nfs/dbraw/zinc/28/24/88/1041282488.db2.gz GDPPEMOVGDHBGK-MRXNPFEDSA-N 0 3 343.471 3.638 20 10 EHCDHN O=C(c1cccc2c1CCNC2)N1CC2(CCCC2)c2ccccc21 ZINC000662616575 1042797305 /nfs/dbraw/zinc/79/73/05/1042797305.db2.gz VUIPOIKDTIQFPB-UHFFFAOYSA-N 0 3 332.447 3.805 20 10 EHCDHN COc1ccc(COCCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185321378 1126866864 /nfs/dbraw/zinc/86/68/64/1126866864.db2.gz ORCTXDHZJUCNNW-CQSZACIVSA-N 0 3 333.403 3.797 20 10 EHCDHN COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c2ccccc2n1 ZINC000185574048 1126946223 /nfs/dbraw/zinc/94/62/23/1126946223.db2.gz BAFSHNCKDCHNCM-GFCCVEGCSA-N 0 3 326.371 3.939 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1[O-] ZINC000368365602 1127414770 /nfs/dbraw/zinc/41/47/70/1127414770.db2.gz SOCGDHNUYGPFNW-WMLDXEAASA-N 0 3 346.471 3.832 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc3c[nH]nc3c2)cc1F ZINC000109016043 1120015171 /nfs/dbraw/zinc/01/51/71/1120015171.db2.gz SFMLFUQYEIVBLJ-UHFFFAOYSA-N 0 3 326.419 3.838 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)c2c1 ZINC000917471968 1122615894 /nfs/dbraw/zinc/61/58/94/1122615894.db2.gz FSJRVJRELLOLQC-QUCCMNQESA-N 0 3 327.424 3.697 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@H]4CCCC[C@H]43)c2c1 ZINC000917471968 1122615897 /nfs/dbraw/zinc/61/58/97/1122615897.db2.gz FSJRVJRELLOLQC-QUCCMNQESA-N 0 3 327.424 3.697 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000179875580 1123880323 /nfs/dbraw/zinc/88/03/23/1123880323.db2.gz DPBKMQGGZKFCJR-LRDDRELGSA-N 0 3 330.815 3.502 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000180272859 1123972985 /nfs/dbraw/zinc/97/29/85/1123972985.db2.gz VNBPUUSLWKSERT-FUHWJXTLSA-N 0 3 333.403 3.993 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000180272859 1123972989 /nfs/dbraw/zinc/97/29/89/1123972989.db2.gz VNBPUUSLWKSERT-FUHWJXTLSA-N 0 3 333.403 3.993 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc(C(C)C)c2)c1 ZINC000182406998 1125280663 /nfs/dbraw/zinc/28/06/63/1125280663.db2.gz GLCRDFRYXNBUJL-AWEZNQCLSA-N 0 3 342.439 3.814 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000922329356 1129470481 /nfs/dbraw/zinc/47/04/81/1129470481.db2.gz NSKNWJYMXNNKPV-QLFBSQMISA-N 0 3 334.460 3.736 20 10 EHCDHN CCOCc1cc(CNCc2c(C)cc(CO)cc2C)ccc1OC ZINC000922562363 1129570922 /nfs/dbraw/zinc/57/09/22/1129570922.db2.gz YEOHRBUBTORSAY-UHFFFAOYSA-N 0 3 343.467 3.631 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@H](C)c1ccccc1[O-])COCc1ccccc1 ZINC000702843216 1130255837 /nfs/dbraw/zinc/25/58/37/1130255837.db2.gz BYODPADBULHTJN-UZLBHIALSA-N 0 3 329.440 3.665 20 10 EHCDHN CCC[N@H+](CCOCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000731030138 1130759595 /nfs/dbraw/zinc/75/95/95/1130759595.db2.gz LCZVZERBSQBZOL-UHFFFAOYSA-N 0 3 329.440 3.830 20 10 EHCDHN CCC[N@@H+](CCOCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000731030138 1130759600 /nfs/dbraw/zinc/75/96/00/1130759600.db2.gz LCZVZERBSQBZOL-UHFFFAOYSA-N 0 3 329.440 3.830 20 10 EHCDHN CC[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845709 1130850192 /nfs/dbraw/zinc/85/01/92/1130850192.db2.gz IDYWPZXYBHPZSQ-SFHVURJKSA-N 0 3 344.499 3.928 20 10 EHCDHN CC[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845709 1130850201 /nfs/dbraw/zinc/85/02/01/1130850201.db2.gz IDYWPZXYBHPZSQ-SFHVURJKSA-N 0 3 344.499 3.928 20 10 EHCDHN CN(C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000731845473 1130850580 /nfs/dbraw/zinc/85/05/80/1130850580.db2.gz AFFBYNWYCAXMSK-UHFFFAOYSA-N 0 3 338.451 3.800 20 10 EHCDHN CN(C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC000731845473 1130850589 /nfs/dbraw/zinc/85/05/89/1130850589.db2.gz AFFBYNWYCAXMSK-UHFFFAOYSA-N 0 3 338.451 3.800 20 10 EHCDHN C[N@H+](CCOc1ccc(Br)cc1)Cc1ccccc1[O-] ZINC000731842839 1130850734 /nfs/dbraw/zinc/85/07/34/1130850734.db2.gz JJKQCWARZOXOQN-UHFFFAOYSA-N 0 3 336.229 3.666 20 10 EHCDHN C[N@@H+](CCOc1ccc(Br)cc1)Cc1ccccc1[O-] ZINC000731842839 1130850747 /nfs/dbraw/zinc/85/07/47/1130850747.db2.gz JJKQCWARZOXOQN-UHFFFAOYSA-N 0 3 336.229 3.666 20 10 EHCDHN C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613790 1131061945 /nfs/dbraw/zinc/06/19/45/1131061945.db2.gz LGBPFOCEMRMJQO-CALCHBBNSA-N 0 3 344.499 3.926 20 10 EHCDHN C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613790 1131061952 /nfs/dbraw/zinc/06/19/52/1131061952.db2.gz LGBPFOCEMRMJQO-CALCHBBNSA-N 0 3 344.499 3.926 20 10 EHCDHN C[C@H]1SCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000738259156 1131465075 /nfs/dbraw/zinc/46/50/75/1131465075.db2.gz SVYJEHFQQUDBNT-YJYMSZOUSA-N 0 3 343.448 3.800 20 10 EHCDHN Cc1cc(CN2CCCC[C@@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000742150618 1131693079 /nfs/dbraw/zinc/69/30/79/1131693079.db2.gz VQLVNCICPYBBSC-QGZVFWFLSA-N 0 3 333.472 3.726 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC4(C3)CCOCC4)c2c1 ZINC000743405164 1131915941 /nfs/dbraw/zinc/91/59/41/1131915941.db2.gz GYIFAFPOBVWWRU-UHFFFAOYSA-N 0 3 327.424 3.557 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC4(C3)CCOCC4)c2c1 ZINC000743405164 1131915946 /nfs/dbraw/zinc/91/59/46/1131915946.db2.gz GYIFAFPOBVWWRU-UHFFFAOYSA-N 0 3 327.424 3.557 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305234 1132725373 /nfs/dbraw/zinc/72/53/73/1132725373.db2.gz CPNSWDUEATYSBN-UHFFFAOYSA-N 0 3 339.435 3.992 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305234 1132725375 /nfs/dbraw/zinc/72/53/75/1132725375.db2.gz CPNSWDUEATYSBN-UHFFFAOYSA-N 0 3 339.435 3.992 20 10 EHCDHN COc1ccc(CN[C@H](Cc2nccn2C)c2ccccc2)cc1C ZINC000742388961 1133063182 /nfs/dbraw/zinc/06/31/82/1133063182.db2.gz VESSEFHMRFTAMB-LJQANCHMSA-N 0 3 335.451 3.811 20 10 EHCDHN Cc1cc(C)cc(OCCNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001177475407 1133066921 /nfs/dbraw/zinc/06/69/21/1133066921.db2.gz LXTIAYSVUOASOD-UHFFFAOYSA-N 0 3 334.410 3.816 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000768234699 1133116293 /nfs/dbraw/zinc/11/62/93/1133116293.db2.gz NNWKTMIUFIGNHZ-NRFANRHFSA-N 0 3 341.451 3.737 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000768234700 1133116441 /nfs/dbraw/zinc/11/64/41/1133116441.db2.gz NNWKTMIUFIGNHZ-OAQYLSRUSA-N 0 3 341.451 3.737 20 10 EHCDHN Cc1cccc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000768262863 1133119396 /nfs/dbraw/zinc/11/93/96/1133119396.db2.gz KXSXEHAKVBLFGK-UHFFFAOYSA-N 0 3 328.431 3.603 20 10 EHCDHN Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768445693 1133140302 /nfs/dbraw/zinc/14/03/02/1133140302.db2.gz IGIOJVYEDDIQSQ-AZUAARDMSA-N 0 3 339.435 3.854 20 10 EHCDHN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)cc1 ZINC000768445693 1133140305 /nfs/dbraw/zinc/14/03/05/1133140305.db2.gz IGIOJVYEDDIQSQ-AZUAARDMSA-N 0 3 339.435 3.854 20 10 EHCDHN CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463483 1133144599 /nfs/dbraw/zinc/14/45/99/1133144599.db2.gz UQBIPOIAGRJARU-TZIWHRDSSA-N 0 3 339.435 3.573 20 10 EHCDHN CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463483 1133144602 /nfs/dbraw/zinc/14/46/02/1133144602.db2.gz UQBIPOIAGRJARU-TZIWHRDSSA-N 0 3 339.435 3.573 20 10 EHCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1c1cccc(F)c1 ZINC000768466436 1133145143 /nfs/dbraw/zinc/14/51/43/1133145143.db2.gz QHRUOYPULAPVCJ-OACQNMCBSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1c1cccc(F)c1 ZINC000768466436 1133145144 /nfs/dbraw/zinc/14/51/44/1133145144.db2.gz QHRUOYPULAPVCJ-OACQNMCBSA-N 0 3 343.398 3.540 20 10 EHCDHN CCOc1ccc(O)c(CN(CC)Cc2ccc(OC)cc2OC)c1 ZINC000768496397 1133146307 /nfs/dbraw/zinc/14/63/07/1133146307.db2.gz RSOUXOHZRIFKPY-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519741 1133148605 /nfs/dbraw/zinc/14/86/05/1133148605.db2.gz WKLRQAKABCKZGA-FUHWJXTLSA-N 0 3 341.451 3.564 20 10 EHCDHN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000768519741 1133148607 /nfs/dbraw/zinc/14/86/07/1133148607.db2.gz WKLRQAKABCKZGA-FUHWJXTLSA-N 0 3 341.451 3.564 20 10 EHCDHN CCN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000769027855 1133215990 /nfs/dbraw/zinc/21/59/90/1133215990.db2.gz BBGHCTYHUMRRBH-KRWDZBQOSA-N 0 3 347.459 3.586 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235551 1133349619 /nfs/dbraw/zinc/34/96/19/1133349619.db2.gz YRXWSSCTHFYURZ-NVXWUHKLSA-N 0 3 348.487 3.826 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001180235551 1133349624 /nfs/dbraw/zinc/34/96/24/1133349624.db2.gz YRXWSSCTHFYURZ-NVXWUHKLSA-N 0 3 348.487 3.826 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000774487210 1133688645 /nfs/dbraw/zinc/68/86/45/1133688645.db2.gz YBOPUVNLJWRLQV-STQMWFEESA-N 0 3 347.409 3.709 20 10 EHCDHN C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000785567665 1133727838 /nfs/dbraw/zinc/72/78/38/1133727838.db2.gz HACLPGCUKNUSAV-UZLBHIALSA-N 0 3 343.515 3.727 20 10 EHCDHN CC1(C)CCN(Cc2ccc(Br)cc2[O-])CC(C)(C)[NH2+]1 ZINC001184375512 1133933086 /nfs/dbraw/zinc/93/30/86/1133933086.db2.gz UNFLSSNPGKWGFU-UHFFFAOYSA-N 0 3 341.293 3.507 20 10 EHCDHN CN(C)c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000746720250 1134061045 /nfs/dbraw/zinc/06/10/45/1134061045.db2.gz DSQRSGADWKPCPJ-SFHVURJKSA-N 0 3 330.497 3.995 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000775137024 1134367100 /nfs/dbraw/zinc/36/71/00/1134367100.db2.gz QBNJYWYLKZMFNY-BDJLRTHQSA-N 0 3 325.330 3.795 20 10 EHCDHN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775175168 1134475831 /nfs/dbraw/zinc/47/58/31/1134475831.db2.gz GKXACJRSRDYMFZ-MRXNPFEDSA-N 0 3 342.277 3.590 20 10 EHCDHN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000775175168 1134475834 /nfs/dbraw/zinc/47/58/34/1134475834.db2.gz GKXACJRSRDYMFZ-MRXNPFEDSA-N 0 3 342.277 3.590 20 10 EHCDHN CCN(C)c1ccc(CN(CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000792156419 1134658765 /nfs/dbraw/zinc/65/87/65/1134658765.db2.gz CYNWPXJSYHTVSV-UHFFFAOYSA-N 0 3 326.488 3.626 20 10 EHCDHN CCCN(CCC)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000792185128 1134665645 /nfs/dbraw/zinc/66/56/45/1134665645.db2.gz HSPKHKNGPWLPKZ-FQEVSTJZSA-N 0 3 343.515 3.510 20 10 EHCDHN CC[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1[O-] ZINC000775491120 1134936234 /nfs/dbraw/zinc/93/62/34/1134936234.db2.gz YNIMIGKGNGWKSR-QZTJIDSGSA-N 0 3 326.440 3.653 20 10 EHCDHN COc1ncc([C@H](C)NCc2ccc(N(C)C)cc2C)cc1Cl ZINC000793542919 1134952126 /nfs/dbraw/zinc/95/21/26/1134952126.db2.gz RTLJKEUIXXHQJA-ZDUSSCGKSA-N 0 3 333.863 3.969 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000793609699 1134971675 /nfs/dbraw/zinc/97/16/75/1134971675.db2.gz RFZKAFLANIIUGY-LSDHHAIUSA-N 0 3 340.261 3.607 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000793609699 1134971679 /nfs/dbraw/zinc/97/16/79/1134971679.db2.gz RFZKAFLANIIUGY-LSDHHAIUSA-N 0 3 340.261 3.607 20 10 EHCDHN CC[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccccc1[O-] ZINC000775512191 1134982101 /nfs/dbraw/zinc/98/21/01/1134982101.db2.gz NIZZOACRLXRTCF-IBGZPJMESA-N 0 3 346.515 3.716 20 10 EHCDHN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808674190 1135714208 /nfs/dbraw/zinc/71/42/08/1135714208.db2.gz OHFILVNSIDTMQO-YVEFUNNKSA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1[O-] ZINC000808715186 1135720163 /nfs/dbraw/zinc/72/01/63/1135720163.db2.gz BGCLDIKOHVHEFU-CABCVRRESA-N 0 3 340.895 3.506 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)c2c1c(F)ccc2[O-] ZINC000808727898 1135726164 /nfs/dbraw/zinc/72/61/64/1135726164.db2.gz KPXQTAQLZYVBDO-RIEGTJTDSA-N 0 3 331.362 3.812 20 10 EHCDHN Cc1cc(C)cc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775829060 1135787036 /nfs/dbraw/zinc/78/70/36/1135787036.db2.gz WMOQESQENRWWEN-MRXNPFEDSA-N 0 3 325.456 3.659 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000809688681 1135871814 /nfs/dbraw/zinc/87/18/14/1135871814.db2.gz NTNXXRKLNMHLJB-UHFFFAOYSA-N 0 3 334.803 3.937 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000809688681 1135871816 /nfs/dbraw/zinc/87/18/16/1135871816.db2.gz NTNXXRKLNMHLJB-UHFFFAOYSA-N 0 3 334.803 3.937 20 10 EHCDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000809718545 1135877486 /nfs/dbraw/zinc/87/74/86/1135877486.db2.gz VNVFYGJQTWXFLO-JKIFEVAISA-N 0 3 334.460 3.516 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000809757469 1135887075 /nfs/dbraw/zinc/88/70/75/1135887075.db2.gz NLULLINFWYTMOE-UHFFFAOYSA-N 0 3 346.421 3.832 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000809757469 1135887079 /nfs/dbraw/zinc/88/70/79/1135887079.db2.gz NLULLINFWYTMOE-UHFFFAOYSA-N 0 3 346.421 3.832 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CCSC(F)(F)F)c1[O-] ZINC000776014624 1135917884 /nfs/dbraw/zinc/91/78/84/1135917884.db2.gz AMKNXNSXEMRACY-UHFFFAOYSA-N 0 3 344.196 3.806 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c([O-])c1 ZINC000810170944 1135930196 /nfs/dbraw/zinc/93/01/96/1135930196.db2.gz UXHKBCHRXVCDTN-QUCCMNQESA-N 0 3 327.424 3.801 20 10 EHCDHN Cc1cccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000776254120 1136104202 /nfs/dbraw/zinc/10/42/02/1136104202.db2.gz SWAGVRMCSSJVHN-OAHLLOKOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1[O-] ZINC000776255691 1136110471 /nfs/dbraw/zinc/11/04/71/1136110471.db2.gz GPZZSYQIZWMXOJ-NFAWXSAZSA-N 0 3 329.918 3.823 20 10 EHCDHN CCN(CC)c1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1F ZINC001202465281 1136146226 /nfs/dbraw/zinc/14/62/26/1136146226.db2.gz CXLMZEGQAXFCST-UHFFFAOYSA-N 0 3 349.494 3.553 20 10 EHCDHN COc1cc(CN[C@@H](CO)c2ccc(F)cc2)c(O)c(C(C)(C)C)c1 ZINC000850138635 1136214091 /nfs/dbraw/zinc/21/40/91/1136214091.db2.gz HPCZULDNVNINLN-SFHVURJKSA-N 0 3 347.430 3.661 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2[O-] ZINC000850485595 1136268060 /nfs/dbraw/zinc/26/80/60/1136268060.db2.gz LXDAGSRQXYUHDE-KCJUWKMLSA-N 0 3 341.308 3.678 20 10 EHCDHN C[C@@H]1C[C@H](NCc2cnc(C(F)(F)F)nc2)c2c1c(F)ccc2O ZINC000850485595 1136268063 /nfs/dbraw/zinc/26/80/63/1136268063.db2.gz LXDAGSRQXYUHDE-KCJUWKMLSA-N 0 3 341.308 3.678 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3ccncc3Cl)C2)cc1 ZINC000850489163 1136270205 /nfs/dbraw/zinc/27/02/05/1136270205.db2.gz WBYSFQKOWXSIJE-KGLIPLIRSA-N 0 3 331.847 3.673 20 10 EHCDHN CC[C@H](NCc1cccnc1N1CCCC1)c1ccc(N(C)C)cc1 ZINC000850500020 1136272088 /nfs/dbraw/zinc/27/20/88/1136272088.db2.gz CBLWESKIRRDNDO-FQEVSTJZSA-N 0 3 338.499 3.989 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CCCC2)c2c1c(F)ccc2[O-] ZINC000850502380 1136272951 /nfs/dbraw/zinc/27/29/51/1136272951.db2.gz VQEIJIJIFCBXRP-BBRMVZONSA-N 0 3 341.430 3.865 20 10 EHCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000850567883 1136288006 /nfs/dbraw/zinc/28/80/06/1136288006.db2.gz LHLQRPIMNOAOQR-OAHLLOKOSA-N 0 3 330.497 3.868 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOCC(F)F ZINC000815619272 1136620049 /nfs/dbraw/zinc/62/00/49/1136620049.db2.gz IHWYKEOEVNJEHI-KRWDZBQOSA-N 0 3 335.394 3.937 20 10 EHCDHN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779023587 1136722291 /nfs/dbraw/zinc/72/22/91/1136722291.db2.gz DIDIQDHREHUSLJ-XHDPSFHLSA-N 0 3 330.266 3.665 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954857 1136851091 /nfs/dbraw/zinc/85/10/91/1136851091.db2.gz LHKZVZTZDHHZBL-XHDPSFHLSA-N 0 3 335.245 3.505 20 10 EHCDHN CCC(N)(CC)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817960260 1136852199 /nfs/dbraw/zinc/85/21/99/1136852199.db2.gz LFUVOZOXERHSBH-SECBINFHSA-N 0 3 349.700 3.976 20 10 EHCDHN CC[C@H]([NH2+]C[C@]1(COC)CCCN1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974650 1136853834 /nfs/dbraw/zinc/85/38/34/1136853834.db2.gz NBSCMZSFHISVGK-HOCLYGCPSA-N 0 3 347.286 3.508 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817972572 1136854008 /nfs/dbraw/zinc/85/40/08/1136854008.db2.gz XYBDAOPHKCVCQJ-FXPVBKGRSA-N 0 3 347.684 3.599 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@@H]3CCc4ccc(Cl)nc43)C2)cc1 ZINC000857914996 1136922344 /nfs/dbraw/zinc/92/23/44/1136922344.db2.gz SDXOVTUUVXXHFG-WMLDXEAASA-N 0 3 343.858 3.599 20 10 EHCDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000824678237 1137147871 /nfs/dbraw/zinc/14/78/71/1137147871.db2.gz PTALQAAXSHNEGN-FQEVSTJZSA-N 0 3 340.467 3.652 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccnn1CC1CC1)C1CCCC1 ZINC000824776227 1137151494 /nfs/dbraw/zinc/15/14/94/1137151494.db2.gz FYJDUKCMGCIOBB-UHFFFAOYSA-N 0 3 325.456 3.944 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccnn1CC1CC1)C1CCCC1 ZINC000824776227 1137151496 /nfs/dbraw/zinc/15/14/96/1137151496.db2.gz FYJDUKCMGCIOBB-UHFFFAOYSA-N 0 3 325.456 3.944 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](OC(C)C)C3)c2c1 ZINC000844719615 1137247786 /nfs/dbraw/zinc/24/77/86/1137247786.db2.gz KHGQRHPVOSXDJC-KRWDZBQOSA-N 0 3 329.440 3.943 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](OC(C)C)C3)c2c1 ZINC000844719615 1137247788 /nfs/dbraw/zinc/24/77/88/1137247788.db2.gz KHGQRHPVOSXDJC-KRWDZBQOSA-N 0 3 329.440 3.943 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794800928 1137252057 /nfs/dbraw/zinc/25/20/57/1137252057.db2.gz FSTHQTXQULEBAQ-APWZRJJASA-N 0 3 331.431 3.732 20 10 EHCDHN CC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(C)cc1[O-] ZINC000794793570 1137252356 /nfs/dbraw/zinc/25/23/56/1137252356.db2.gz JMZFQIMEKCRZSG-LJQANCHMSA-N 0 3 346.515 3.776 20 10 EHCDHN CCn1cc(CN(Cc2cc(Cl)cc(OC)c2O)C(C)C)cn1 ZINC000846056785 1137331349 /nfs/dbraw/zinc/33/13/49/1137331349.db2.gz ZOBOSUTXGQJDCQ-UHFFFAOYSA-N 0 3 337.851 3.681 20 10 EHCDHN CC[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(C)cc1[O-] ZINC000846180953 1137339800 /nfs/dbraw/zinc/33/98/00/1137339800.db2.gz OQDXSVJMIROBTK-CTNGQTDRSA-N 0 3 325.452 3.618 20 10 EHCDHN CC(C)[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000866391810 1137351314 /nfs/dbraw/zinc/35/13/14/1137351314.db2.gz QBBPXRPFIJSWCV-OAQYLSRUSA-N 0 3 339.483 3.530 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CCOC3)c2c1c(F)ccc2[O-] ZINC000866478561 1137358095 /nfs/dbraw/zinc/35/80/95/1137358095.db2.gz IYTRLWGTTYKYMB-SJCJKPOMSA-N 0 3 327.399 3.942 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc2ccccc2n(C)c1=O ZINC000846810492 1137368663 /nfs/dbraw/zinc/36/86/63/1137368663.db2.gz WMMVYRBAIQJZCT-UHFFFAOYSA-N 0 3 336.435 3.656 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc2ccccc2n(C)c1=O ZINC000846810492 1137368664 /nfs/dbraw/zinc/36/86/64/1137368664.db2.gz WMMVYRBAIQJZCT-UHFFFAOYSA-N 0 3 336.435 3.656 20 10 EHCDHN CC[C@@H](C)OCC[C@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001172345965 1137552899 /nfs/dbraw/zinc/55/28/99/1137552899.db2.gz HTVSWILQIFFTAX-ZWKOTPCHSA-N 0 3 334.504 3.719 20 10 EHCDHN C[C@H]1c2ccsc2CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876551203 1137655335 /nfs/dbraw/zinc/65/53/35/1137655335.db2.gz RIWOWOGJWWJQJZ-HNNXBMFYSA-N 0 3 342.508 3.829 20 10 EHCDHN COc1ccccc1COC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000877177163 1137672290 /nfs/dbraw/zinc/67/22/90/1137672290.db2.gz RAGLIEXKBZSCED-UHFFFAOYSA-N 0 3 341.451 3.890 20 10 EHCDHN OC1CCN(c2ccc(CN3Cc4ccccc4C4(CC4)C3)cc2)CC1 ZINC000877423048 1137675868 /nfs/dbraw/zinc/67/58/68/1137675868.db2.gz RTPKYXYOBZOZIH-UHFFFAOYSA-N 0 3 348.490 3.695 20 10 EHCDHN C[C@H](NCc1cc2c(cc1OC(F)F)OCO2)c1ccccc1O ZINC000877757103 1137688297 /nfs/dbraw/zinc/68/82/97/1137688297.db2.gz GEODCRRCJBICBP-JTQLQIEISA-N 0 3 337.322 3.573 20 10 EHCDHN C[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccccc1[O-] ZINC000877757103 1137688298 /nfs/dbraw/zinc/68/82/98/1137688298.db2.gz GEODCRRCJBICBP-JTQLQIEISA-N 0 3 337.322 3.573 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1[O-] ZINC000877756516 1137688315 /nfs/dbraw/zinc/68/83/15/1137688315.db2.gz OVSCOMHBZVGUTH-QAPCUYQASA-N 0 3 327.424 3.801 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1[O-] ZINC000877771480 1137689076 /nfs/dbraw/zinc/68/90/76/1137689076.db2.gz QAALXEIWTWVCJW-HNNXBMFYSA-N 0 3 325.836 3.636 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)c1ccccc1 ZINC000877832697 1137692799 /nfs/dbraw/zinc/69/27/99/1137692799.db2.gz PQEUSQNNYAKVJW-WBVHZDCISA-N 0 3 335.831 3.656 20 10 EHCDHN CCCC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1cc(C)on1 ZINC000879648321 1137753452 /nfs/dbraw/zinc/75/34/52/1137753452.db2.gz JTVSXPJZQHJDMP-UKRRQHHQSA-N 0 3 331.416 3.537 20 10 EHCDHN Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000879651637 1137753748 /nfs/dbraw/zinc/75/37/48/1137753748.db2.gz FDNHJUBONDDVSD-HOTGVXAUSA-N 0 3 326.440 3.995 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000119282879 1137940033 /nfs/dbraw/zinc/94/00/33/1137940033.db2.gz SGGKGZFNULJBJT-KRWDZBQOSA-N 0 3 338.451 3.578 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000119282879 1137940034 /nfs/dbraw/zinc/94/00/34/1137940034.db2.gz SGGKGZFNULJBJT-KRWDZBQOSA-N 0 3 338.451 3.578 20 10 EHCDHN CCCN(Cc1ccccc1O)Cc1cc(F)cc2c1OCOC2 ZINC000068973719 1138086895 /nfs/dbraw/zinc/08/68/95/1138086895.db2.gz VBJNDOLQAABWJT-UHFFFAOYSA-N 0 3 331.387 3.810 20 10 EHCDHN CC[C@@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1[O-] ZINC000886711163 1138122397 /nfs/dbraw/zinc/12/23/97/1138122397.db2.gz OELOCQKKSLSYIU-SJLPKXTDSA-N 0 3 333.472 3.799 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccc(C)cc1[O-] ZINC000886769541 1138136627 /nfs/dbraw/zinc/13/66/27/1138136627.db2.gz WUIJUQMAVOPBPG-XYKCEAJKSA-N 0 3 333.472 3.714 20 10 EHCDHN CN(C)C(=O)Sc1cccc(CN(C)Cc2ccccc2O)c1 ZINC000084075408 1138177208 /nfs/dbraw/zinc/17/72/08/1138177208.db2.gz ZFDIEXSKEKCFNJ-UHFFFAOYSA-N 0 3 330.453 3.798 20 10 EHCDHN CN(C)C(=O)Sc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000084075408 1138177211 /nfs/dbraw/zinc/17/72/11/1138177211.db2.gz ZFDIEXSKEKCFNJ-UHFFFAOYSA-N 0 3 330.453 3.798 20 10 EHCDHN CN(C)C(=O)Sc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000084075408 1138177212 /nfs/dbraw/zinc/17/72/12/1138177212.db2.gz ZFDIEXSKEKCFNJ-UHFFFAOYSA-N 0 3 330.453 3.798 20 10 EHCDHN COCCc1nc(C)c([C@@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000092720652 1138230948 /nfs/dbraw/zinc/23/09/48/1138230948.db2.gz OZIMNAOSTDBZOU-CYBMUJFWSA-N 0 3 333.501 3.557 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000177825020 1139644524 /nfs/dbraw/zinc/64/45/24/1139644524.db2.gz HNPPEHVGHDEHEP-CABCVRRESA-N 0 3 346.496 3.568 20 10 EHCDHN C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1[O-] ZINC000183458748 1140039573 /nfs/dbraw/zinc/03/95/73/1140039573.db2.gz NWJQJBKEPCRPGS-RBZFPXEDSA-N 0 3 325.408 3.965 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c([O-])c1 ZINC000185090734 1140135769 /nfs/dbraw/zinc/13/57/69/1140135769.db2.gz ARHJYBYRZSHOIP-MRXNPFEDSA-N 0 3 338.451 3.674 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccccn2)c1[O-] ZINC000186910491 1140227783 /nfs/dbraw/zinc/22/77/83/1140227783.db2.gz PTTDDGYJBDTSEJ-GFCCVEGCSA-N 0 3 335.245 3.751 20 10 EHCDHN CCOCCCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187027767 1140233455 /nfs/dbraw/zinc/23/34/55/1140233455.db2.gz GHAAVIVJIWQPHO-LBPRGKRZSA-N 0 3 330.266 3.930 20 10 EHCDHN CCCOc1ccc(C[NH2+]Cc2ccnc(SCC)c2)c([O-])c1 ZINC000189597861 1140353887 /nfs/dbraw/zinc/35/38/87/1140353887.db2.gz GSJDWBFRKNXCFL-UHFFFAOYSA-N 0 3 332.469 3.978 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000268759547 1140984383 /nfs/dbraw/zinc/98/43/83/1140984383.db2.gz MXSJFOHANLBCRV-MRXNPFEDSA-N 0 3 339.483 3.695 20 10 EHCDHN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000268872176 1141013339 /nfs/dbraw/zinc/01/33/39/1141013339.db2.gz VPEUIVSHKPYALK-URZJWIJPSA-N 0 3 336.479 3.986 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1OC)c1ccccc1[O-] ZINC000155215313 1016315402 /nfs/dbraw/zinc/31/54/02/1016315402.db2.gz XAYFALYWFUJMFE-OAHLLOKOSA-N 0 3 331.412 3.659 20 10 EHCDHN CCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000275328034 1016409414 /nfs/dbraw/zinc/40/94/14/1016409414.db2.gz MLKFDZRFQFNNBB-NSHDSACASA-N 0 3 338.249 3.530 20 10 EHCDHN CC[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccc(F)cc1F ZINC000893002488 1018115998 /nfs/dbraw/zinc/11/59/98/1018115998.db2.gz TXRYRXJOXOCUCU-OAHLLOKOSA-N 0 3 337.366 3.929 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000155571646 1018362045 /nfs/dbraw/zinc/36/20/45/1018362045.db2.gz FZTKAFOJQDORJG-UZLBHIALSA-N 0 3 340.467 3.968 20 10 EHCDHN CN(Cc1ccccc1O)Cc1ccccc1OCc1ccccn1 ZINC000091956772 1020173256 /nfs/dbraw/zinc/17/32/56/1020173256.db2.gz KXTMFKWAINEFEN-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN CC[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccccc1[O-] ZINC000156584129 1023559535 /nfs/dbraw/zinc/55/95/35/1023559535.db2.gz TWWLNPSFUWSGJS-OAHLLOKOSA-N 0 3 327.403 3.701 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCc2nc3c(cccc3C)o2)c1[O-] ZINC000282132139 1024503689 /nfs/dbraw/zinc/50/36/89/1024503689.db2.gz YUTYBHVNNMQKKK-UHFFFAOYSA-N 0 3 346.814 3.836 20 10 EHCDHN COC[C@@H]1CCCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000696621030 1024759756 /nfs/dbraw/zinc/75/97/56/1024759756.db2.gz QAISAXFVPIUWPZ-CYBMUJFWSA-N 0 3 342.277 3.712 20 10 EHCDHN COC[C@@H]1CCCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000696621030 1024759767 /nfs/dbraw/zinc/75/97/67/1024759767.db2.gz QAISAXFVPIUWPZ-CYBMUJFWSA-N 0 3 342.277 3.712 20 10 EHCDHN COc1ccc(CN[C@@H](c2ncccc2C)C(C)(C)C)c(O)c1OC ZINC000897993561 1033263820 /nfs/dbraw/zinc/26/38/20/1033263820.db2.gz HIQJZLFEHZKQPF-IBGZPJMESA-N 0 3 344.455 3.990 20 10 EHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cc(OC)ccc2OC)c1 ZINC000192789841 1026344077 /nfs/dbraw/zinc/34/40/77/1026344077.db2.gz CRXSCSQIMUKQFQ-CHWSQXEVSA-N 0 3 331.412 3.830 20 10 EHCDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729681245 1028438479 /nfs/dbraw/zinc/43/84/79/1028438479.db2.gz LFKUYVGEYHSGRO-INIZCTEOSA-N 0 3 335.451 3.990 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000271785335 1029170358 /nfs/dbraw/zinc/17/03/58/1029170358.db2.gz FNNJRSDZFIHNQH-IPQOISQHSA-N 0 3 337.872 3.942 20 10 EHCDHN C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000278629009 1031723383 /nfs/dbraw/zinc/72/33/83/1031723383.db2.gz RWTXBPYVCAXMLT-SJORKVTESA-N 0 3 342.483 3.697 20 10 EHCDHN COc1ccccc1CC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761193990 1034378244 /nfs/dbraw/zinc/37/82/44/1034378244.db2.gz OHDPEUCPNAWBBV-UHFFFAOYSA-N 0 3 335.831 3.737 20 10 EHCDHN COc1ccccc1CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761193990 1034378251 /nfs/dbraw/zinc/37/82/51/1034378251.db2.gz OHDPEUCPNAWBBV-UHFFFAOYSA-N 0 3 335.831 3.737 20 10 EHCDHN COc1cc(Cl)cc(CNCc2ccc3ccccc3n2)c1O ZINC000761198174 1034389347 /nfs/dbraw/zinc/38/93/47/1034389347.db2.gz ODHZRHLSEYKBQN-UHFFFAOYSA-N 0 3 328.799 3.892 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1[O-] ZINC000761196069 1034401271 /nfs/dbraw/zinc/40/12/71/1034401271.db2.gz VGAXDKSSYQXANS-GOSISDBHSA-N 0 3 347.842 3.800 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1[O-] ZINC000761196069 1034401282 /nfs/dbraw/zinc/40/12/82/1034401282.db2.gz VGAXDKSSYQXANS-GOSISDBHSA-N 0 3 347.842 3.800 20 10 EHCDHN COc1cc(Cl)cc(CN(C)C[C@H]2OCCc3ccccc32)c1O ZINC000761196069 1034401288 /nfs/dbraw/zinc/40/12/88/1034401288.db2.gz VGAXDKSSYQXANS-GOSISDBHSA-N 0 3 347.842 3.800 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c1[O-] ZINC000761203005 1034407800 /nfs/dbraw/zinc/40/78/00/1034407800.db2.gz HRWYIEXODNCWPE-SJKOYZFVSA-N 0 3 347.842 3.878 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c1[O-] ZINC000761203005 1034407802 /nfs/dbraw/zinc/40/78/02/1034407802.db2.gz HRWYIEXODNCWPE-SJKOYZFVSA-N 0 3 347.842 3.878 20 10 EHCDHN CC(C)NC(=O)CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179522367 1034476412 /nfs/dbraw/zinc/47/64/12/1034476412.db2.gz IYXRVPXCORBJDB-KRWDZBQOSA-N 0 3 340.467 3.870 20 10 EHCDHN CC(C)NC(=O)CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179522367 1034476423 /nfs/dbraw/zinc/47/64/23/1034476423.db2.gz IYXRVPXCORBJDB-KRWDZBQOSA-N 0 3 340.467 3.870 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000761216834 1034576786 /nfs/dbraw/zinc/57/67/86/1034576786.db2.gz YNWFCAPDZQRUTE-INIZCTEOSA-N 0 3 337.851 3.665 20 10 EHCDHN COc1ccc(CNC2(c3ccc(F)cc3F)CCC2)c(O)c1OC ZINC000893260531 1038778105 /nfs/dbraw/zinc/77/81/05/1038778105.db2.gz NDPZUOGOMFJHTQ-UHFFFAOYSA-N 0 3 349.377 3.857 20 10 EHCDHN Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000184870092 1038938331 /nfs/dbraw/zinc/93/83/31/1038938331.db2.gz CHECMIHXSLKABF-ZDUSSCGKSA-N 0 3 327.403 3.930 20 10 EHCDHN CCOc1cccc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)c1[O-] ZINC000156041729 1039875649 /nfs/dbraw/zinc/87/56/49/1039875649.db2.gz SWQCYHYTMKDSAV-OAHLLOKOSA-N 0 3 329.440 3.863 20 10 EHCDHN CCOc1cccc(C[N@@H+](C)[C@H](C)Cc2ccccc2OC)c1[O-] ZINC000156041729 1039875668 /nfs/dbraw/zinc/87/56/68/1039875668.db2.gz SWQCYHYTMKDSAV-OAHLLOKOSA-N 0 3 329.440 3.863 20 10 EHCDHN COc1cc(C)cc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000894085541 1040042537 /nfs/dbraw/zinc/04/25/37/1040042537.db2.gz PENZMSONISHOHM-LFPIHBKWSA-N 0 3 347.480 3.640 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000156427908 1041198458 /nfs/dbraw/zinc/19/84/58/1041198458.db2.gz HOYMZYMHIXQAJD-MLGOLLRUSA-N 0 3 346.377 3.517 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000925774824 1042876013 /nfs/dbraw/zinc/87/60/13/1042876013.db2.gz CSLFJCNPZSNLLY-IUCAKERBSA-N 0 3 339.213 3.594 20 10 EHCDHN C[N@H+](CCCCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279369712 1044006747 /nfs/dbraw/zinc/00/67/47/1044006747.db2.gz HULJNVDGNIEZPI-UHFFFAOYSA-N 0 3 329.440 3.566 20 10 EHCDHN C[N@@H+](CCCCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000279369712 1044006761 /nfs/dbraw/zinc/00/67/61/1044006761.db2.gz HULJNVDGNIEZPI-UHFFFAOYSA-N 0 3 329.440 3.566 20 10 EHCDHN COc1cc(OC)cc(OCCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183615903 1125620592 /nfs/dbraw/zinc/62/05/92/1125620592.db2.gz COLYNGYBYKREFN-AWEZNQCLSA-N 0 3 331.412 3.529 20 10 EHCDHN COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185391138 1126883836 /nfs/dbraw/zinc/88/38/36/1126883836.db2.gz HPSSGFHORYARAM-QWHCGFSZSA-N 0 3 333.403 3.830 20 10 EHCDHN C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1cc(F)ccc1[O-] ZINC000186108469 1127274693 /nfs/dbraw/zinc/27/46/93/1127274693.db2.gz QWKWUPHBWOOJST-JTQLQIEISA-N 0 3 344.308 3.675 20 10 EHCDHN Cc1cc(C)c(O)c(CN2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000764953169 1127556613 /nfs/dbraw/zinc/55/66/13/1127556613.db2.gz DOYOVMWFQXMITP-INIZCTEOSA-N 0 3 330.497 3.949 20 10 EHCDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC12CCCCC2 ZINC000764954361 1127557308 /nfs/dbraw/zinc/55/73/08/1127557308.db2.gz JQJJHBOWBVQGES-KSSFIOAISA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC12CCCCC2 ZINC000764954361 1127557312 /nfs/dbraw/zinc/55/73/12/1127557312.db2.gz JQJJHBOWBVQGES-KSSFIOAISA-N 0 3 331.456 3.610 20 10 EHCDHN C[C@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765309599 1127597219 /nfs/dbraw/zinc/59/72/19/1127597219.db2.gz JBMTXRFKYAVNKS-JXFKEZNVSA-N 0 3 339.483 3.623 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000765610665 1127706598 /nfs/dbraw/zinc/70/65/98/1127706598.db2.gz WUUGQDYTTBKUFB-ZDUSSCGKSA-N 0 3 336.435 3.702 20 10 EHCDHN Fc1ccc(C2(NCc3ccc4c(c3)CCCO4)CCOCC2)cc1 ZINC000921745314 1128723029 /nfs/dbraw/zinc/72/30/29/1128723029.db2.gz SXMLGOMFUKKYPW-UHFFFAOYSA-N 0 3 341.426 3.946 20 10 EHCDHN Cc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000237799533 1123865563 /nfs/dbraw/zinc/86/55/63/1123865563.db2.gz HDBHZOGREVTMQA-CQSZACIVSA-N 0 3 336.382 3.948 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000179875547 1123880456 /nfs/dbraw/zinc/88/04/56/1123880456.db2.gz DPBKMQGGZKFCJR-BLLLJJGKSA-N 0 3 330.815 3.502 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000181532265 1124920051 /nfs/dbraw/zinc/92/00/51/1124920051.db2.gz LUIYBVLPVUNFBX-UHFFFAOYSA-N 0 3 333.378 3.852 20 10 EHCDHN COCC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183048864 1125431272 /nfs/dbraw/zinc/43/12/72/1125431272.db2.gz PPMKXYXOFWDVDG-UHFFFAOYSA-N 0 3 341.451 3.830 20 10 EHCDHN COc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000070976750 1125447229 /nfs/dbraw/zinc/44/72/29/1125447229.db2.gz BDWGDPNGMZHQLZ-QGZVFWFLSA-N 0 3 345.414 3.721 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000183122676 1125448193 /nfs/dbraw/zinc/44/81/93/1125448193.db2.gz SXMWDRKXIJCETK-PXNSSMCTSA-N 0 3 341.451 3.564 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000183122676 1125448197 /nfs/dbraw/zinc/44/81/97/1125448197.db2.gz SXMWDRKXIJCETK-PXNSSMCTSA-N 0 3 341.451 3.564 20 10 EHCDHN CCCN(CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccccc1O ZINC000727831267 1130597634 /nfs/dbraw/zinc/59/76/34/1130597634.db2.gz SAWVJIJQRQLLHA-INIZCTEOSA-N 0 3 338.451 3.582 20 10 EHCDHN COc1ccc(N2CCCN(c3ccnc4ccccc43)CC2)cc1 ZINC000731982572 1130872452 /nfs/dbraw/zinc/87/24/52/1130872452.db2.gz UPFQDTHPLPBZID-UHFFFAOYSA-N 0 3 333.435 3.960 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000743870233 1131995632 /nfs/dbraw/zinc/99/56/32/1131995632.db2.gz MLXZSCJHIAJSBM-PQUAAJSLSA-N 0 3 332.488 3.688 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000743870233 1131995640 /nfs/dbraw/zinc/99/56/40/1131995640.db2.gz MLXZSCJHIAJSBM-PQUAAJSLSA-N 0 3 332.488 3.688 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CC(F)(F)F)c1[O-] ZINC000766480433 1132556682 /nfs/dbraw/zinc/55/66/82/1132556682.db2.gz UULIKMVZEWEGTQ-ZETCQYMHSA-N 0 3 342.155 3.594 20 10 EHCDHN CC[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000766607640 1132685496 /nfs/dbraw/zinc/68/54/96/1132685496.db2.gz HWPKUSRQWKKSKI-INIZCTEOSA-N 0 3 340.393 3.752 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000768208519 1133108134 /nfs/dbraw/zinc/10/81/34/1133108134.db2.gz RGNHZKIBDNCGTF-UHFFFAOYSA-N 0 3 348.849 3.948 20 10 EHCDHN COc1cccc(CN2CCSC[C@@H]2c2ccc(C)cc2)c1O ZINC000769447236 1133291042 /nfs/dbraw/zinc/29/10/42/1133291042.db2.gz XAMCELQEWJBULR-QGZVFWFLSA-N 0 3 329.465 3.999 20 10 EHCDHN COc1cccc(CN2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c1O ZINC000769474921 1133299647 /nfs/dbraw/zinc/29/96/47/1133299647.db2.gz SZLVFXYQORWLMP-QGZVFWFLSA-N 0 3 340.467 3.728 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000769929587 1133368460 /nfs/dbraw/zinc/36/84/60/1133368460.db2.gz CNHOXQNJSITCCK-YWZLYKJASA-N 0 3 328.456 3.572 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000771382940 1133541883 /nfs/dbraw/zinc/54/18/83/1133541883.db2.gz IMRQTDNYPZAKGU-OAHLLOKOSA-N 0 3 343.446 3.525 20 10 EHCDHN CN1CCN(Cc2c(O)cccc2Br)c2ccccc2C1 ZINC001181986879 1133557805 /nfs/dbraw/zinc/55/78/05/1133557805.db2.gz PAAWXXYJGWGHIT-UHFFFAOYSA-N 0 3 347.256 3.607 20 10 EHCDHN CCCCN(CC)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC001182231761 1133594496 /nfs/dbraw/zinc/59/44/96/1133594496.db2.gz AMKNUSPZCBYLGW-HXUWFJFHSA-N 0 3 340.467 3.872 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)c([O-])c1 ZINC000785558378 1133722256 /nfs/dbraw/zinc/72/22/56/1133722256.db2.gz GMRMBZHNEJEWTL-IIBYNOLFSA-N 0 3 342.483 3.880 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1cc(F)ccc1[O-] ZINC000785567640 1133727929 /nfs/dbraw/zinc/72/79/29/1133727929.db2.gz GGILRPVKSGJVHP-SUMWQHHRSA-N 0 3 334.435 3.506 20 10 EHCDHN CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1ccc(N(C)CC)cc1 ZINC001170054831 1133795874 /nfs/dbraw/zinc/79/58/74/1133795874.db2.gz XLHCKRDWLXBEDP-IBGZPJMESA-N 0 3 347.503 3.586 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC001183379228 1133801641 /nfs/dbraw/zinc/80/16/41/1133801641.db2.gz KIESYBCOTVPBRG-HNNXBMFYSA-N 0 3 348.487 3.826 20 10 EHCDHN Cc1ccc(C[NH2+][C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC001183683331 1133840108 /nfs/dbraw/zinc/84/01/08/1133840108.db2.gz BKZVCGNLKNINAI-PXNSSMCTSA-N 0 3 346.471 3.722 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c([O-])c1 ZINC000788538400 1134139633 /nfs/dbraw/zinc/13/96/33/1134139633.db2.gz MDJUIUCRDBHORW-VQTJNVASSA-N 0 3 329.440 3.639 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@H](C(C)(C)C)C3)c2c1 ZINC000790414631 1134413443 /nfs/dbraw/zinc/41/34/43/1134413443.db2.gz PBVHPTRQOJDQGB-IBGZPJMESA-N 0 3 329.440 3.801 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@H](C(C)(C)C)C3)c2c1 ZINC000790414631 1134413446 /nfs/dbraw/zinc/41/34/46/1134413446.db2.gz PBVHPTRQOJDQGB-IBGZPJMESA-N 0 3 329.440 3.801 20 10 EHCDHN Cc1ccc(CCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000792767800 1134791441 /nfs/dbraw/zinc/79/14/41/1134791441.db2.gz WMTSOACVOATBSG-HXUWFJFHSA-N 0 3 340.467 3.709 20 10 EHCDHN Cc1ccc(CCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000792767800 1134791443 /nfs/dbraw/zinc/79/14/43/1134791443.db2.gz WMTSOACVOATBSG-HXUWFJFHSA-N 0 3 340.467 3.709 20 10 EHCDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792825836 1134796570 /nfs/dbraw/zinc/79/65/70/1134796570.db2.gz BMFIPBNRUYOCRC-WFASDCNBSA-N 0 3 330.394 3.507 20 10 EHCDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792825835 1134796981 /nfs/dbraw/zinc/79/69/81/1134796981.db2.gz BMFIPBNRUYOCRC-SWLSCSKDSA-N 0 3 330.394 3.507 20 10 EHCDHN Cc1ccncc1CN(C)Cc1cc(Br)cc(C)c1O ZINC000793340509 1134901481 /nfs/dbraw/zinc/90/14/81/1134901481.db2.gz PKYFKJNSBNTIRN-UHFFFAOYSA-N 0 3 335.245 3.799 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c([O-])c1 ZINC000793386686 1134920612 /nfs/dbraw/zinc/92/06/12/1134920612.db2.gz XKYBJQZHISWING-UHFFFAOYSA-N 0 3 343.757 3.945 20 10 EHCDHN CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001170449264 1135061156 /nfs/dbraw/zinc/06/11/56/1135061156.db2.gz LLBMPURSNBTIBD-MRXNPFEDSA-N 0 3 325.408 3.500 20 10 EHCDHN CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2cccc([O-])c2C1 ZINC001170449264 1135061162 /nfs/dbraw/zinc/06/11/62/1135061162.db2.gz LLBMPURSNBTIBD-MRXNPFEDSA-N 0 3 325.408 3.500 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000808690736 1135711564 /nfs/dbraw/zinc/71/15/64/1135711564.db2.gz NYURCFWDTBBMIL-LBPRGKRZSA-N 0 3 342.867 3.872 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1[O-] ZINC000808672320 1135713589 /nfs/dbraw/zinc/71/35/89/1135713589.db2.gz JUOIWZWWBYVORZ-JSGCOSHPSA-N 0 3 333.815 3.845 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1[O-] ZINC000808674373 1135713927 /nfs/dbraw/zinc/71/39/27/1135713927.db2.gz GBQJQIMAQULBLS-CYBMUJFWSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1[O-] ZINC000808673993 1135714664 /nfs/dbraw/zinc/71/46/64/1135714664.db2.gz MCSRMZVWTYTIBV-CYBMUJFWSA-N 0 3 346.858 3.907 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c1[O-] ZINC000808708072 1135717613 /nfs/dbraw/zinc/71/76/13/1135717613.db2.gz GJDMHFSMXQKEDE-PMUMKWKESA-N 0 3 333.859 3.997 20 10 EHCDHN Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808716214 1135719692 /nfs/dbraw/zinc/71/96/92/1135719692.db2.gz UBLPHMMZYGJUQF-YOEHRIQHSA-N 0 3 333.859 3.917 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc3c(cc2Cl)OCCO3)c1 ZINC000808743552 1135734353 /nfs/dbraw/zinc/73/43/53/1135734353.db2.gz IBFSXNLJJZDKTR-LLVKDONJSA-N 0 3 349.814 3.676 20 10 EHCDHN Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1Br ZINC000776153863 1136004715 /nfs/dbraw/zinc/00/47/15/1136004715.db2.gz HMIJMYZPHASRTK-UHFFFAOYSA-N 0 3 332.241 3.982 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C1CCOCC1 ZINC000776232542 1136087134 /nfs/dbraw/zinc/08/71/34/1136087134.db2.gz PKSLNQDSKJNFGB-OAHLLOKOSA-N 0 3 342.277 3.758 20 10 EHCDHN CC(C)C[C@@H](C[N@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000811456564 1136089396 /nfs/dbraw/zinc/08/93/96/1136089396.db2.gz CYCLPHOCTGSVFJ-INIZCTEOSA-N 0 3 336.476 3.763 20 10 EHCDHN CC(C)C[C@@H](C[N@@H+](C)Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000811456564 1136089399 /nfs/dbraw/zinc/08/93/99/1136089399.db2.gz CYCLPHOCTGSVFJ-INIZCTEOSA-N 0 3 336.476 3.763 20 10 EHCDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC001202102209 1136094242 /nfs/dbraw/zinc/09/42/42/1136094242.db2.gz NFXBKXDOHCCCFZ-SJLPKXTDSA-N 0 3 326.431 3.714 20 10 EHCDHN CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC000776336359 1136158064 /nfs/dbraw/zinc/15/80/64/1136158064.db2.gz KRXLWWAZNGVJST-UHFFFAOYSA-N 0 3 340.423 3.582 20 10 EHCDHN C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000850355152 1136240012 /nfs/dbraw/zinc/24/00/12/1136240012.db2.gz HBDHYUWFMRWTFW-IECBHUPTSA-N 0 3 343.492 3.839 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2cccnc2N2CCCC2)cc1 ZINC000850502622 1136272471 /nfs/dbraw/zinc/27/24/71/1136272471.db2.gz XZABXZPPRDGUBN-KRWDZBQOSA-N 0 3 338.499 3.989 20 10 EHCDHN COC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850514762 1136275092 /nfs/dbraw/zinc/27/50/92/1136275092.db2.gz QHOUQHCIRGXUQP-MGPUTAFESA-N 0 3 328.456 3.800 20 10 EHCDHN COC[C@H](C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000851880076 1136415588 /nfs/dbraw/zinc/41/55/88/1136415588.db2.gz SVUAQRJGZMHTKP-APWZRJJASA-N 0 3 329.440 3.617 20 10 EHCDHN COC[C@H](C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000851880076 1136415591 /nfs/dbraw/zinc/41/55/91/1136415591.db2.gz SVUAQRJGZMHTKP-APWZRJJASA-N 0 3 329.440 3.617 20 10 EHCDHN Cc1cccc(C)c1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853522003 1136540493 /nfs/dbraw/zinc/54/04/93/1136540493.db2.gz ICMCWSYPCNWIGO-IEBWSBKVSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc(C)c1[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853522003 1136540496 /nfs/dbraw/zinc/54/04/96/1136540496.db2.gz ICMCWSYPCNWIGO-IEBWSBKVSA-N 0 3 339.435 3.772 20 10 EHCDHN CSC[C@@H](CCO)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815583167 1136614644 /nfs/dbraw/zinc/61/46/44/1136614644.db2.gz YKFZXZVBWFOJOZ-IEBWSBKVSA-N 0 3 345.508 3.770 20 10 EHCDHN CC(C)[C@@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815625592 1136620407 /nfs/dbraw/zinc/62/04/07/1136620407.db2.gz HKFRDMJONQZIQH-QUCCMNQESA-N 0 3 327.468 3.920 20 10 EHCDHN CO[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000815651187 1136626347 /nfs/dbraw/zinc/62/63/47/1136626347.db2.gz MMWYTKUDIPPLSU-HZMBPMFUSA-N 0 3 328.250 3.539 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCOCC2CC2)c1[O-] ZINC000779007707 1136721168 /nfs/dbraw/zinc/72/11/68/1136721168.db2.gz YUOWJIOTEGFYCT-GFCCVEGCSA-N 0 3 342.277 3.930 20 10 EHCDHN COc1ccc(CNCc2ccc(N(C)C)cc2)cc1OC1CC1 ZINC000858088926 1136938366 /nfs/dbraw/zinc/93/83/66/1136938366.db2.gz YQOUTVJIPZIQEA-UHFFFAOYSA-N 0 3 326.440 3.592 20 10 EHCDHN CO[C@@H](CN[C@@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000777012738 1136953629 /nfs/dbraw/zinc/95/36/29/1136953629.db2.gz ROVURALZDALDRH-BBRMVZONSA-N 0 3 330.394 3.905 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000858449525 1136968504 /nfs/dbraw/zinc/96/85/04/1136968504.db2.gz NPFFNPWBGONYEW-UKRRQHHQSA-N 0 3 327.350 3.741 20 10 EHCDHN CC(=O)N(C)c1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000858495362 1136973339 /nfs/dbraw/zinc/97/33/39/1136973339.db2.gz CCMIRQVBQGIOSM-SJCJKPOMSA-N 0 3 342.414 3.852 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(F)c(F)c2N(C)C)c1 ZINC000862367951 1137140706 /nfs/dbraw/zinc/14/07/06/1137140706.db2.gz AHJRZNAFHVYROG-NSHDSACASA-N 0 3 336.382 3.596 20 10 EHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000824522619 1137141382 /nfs/dbraw/zinc/14/13/82/1137141382.db2.gz YVDQZSLVYPWIJP-UHFFFAOYSA-N 0 3 339.863 3.571 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000862530027 1137148159 /nfs/dbraw/zinc/14/81/59/1137148159.db2.gz SGZAMWAOPYGREK-RXVVDRJESA-N 0 3 339.435 3.628 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000824690771 1137148527 /nfs/dbraw/zinc/14/85/27/1137148527.db2.gz LIJZFYAXLLHLII-QGZVFWFLSA-N 0 3 335.831 3.610 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC000824690771 1137148529 /nfs/dbraw/zinc/14/85/29/1137148529.db2.gz LIJZFYAXLLHLII-QGZVFWFLSA-N 0 3 335.831 3.610 20 10 EHCDHN CC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@]2(CCOC2)O1 ZINC000794690579 1137233923 /nfs/dbraw/zinc/23/39/23/1137233923.db2.gz BKUWLDDIPLZBGJ-UWJYYQICSA-N 0 3 347.499 3.768 20 10 EHCDHN CC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@]2(CCOC2)O1 ZINC000794690569 1137233929 /nfs/dbraw/zinc/23/39/29/1137233929.db2.gz BKUWLDDIPLZBGJ-DYESRHJHSA-N 0 3 347.499 3.768 20 10 EHCDHN CC[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(C)cc1[O-] ZINC000794809290 1137261881 /nfs/dbraw/zinc/26/18/81/1137261881.db2.gz FQBIJGJGJDYBBX-GOSISDBHSA-N 0 3 344.430 3.701 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000794830978 1137268212 /nfs/dbraw/zinc/26/82/12/1137268212.db2.gz AXNGIFQNAPVSEF-RISCZKNCSA-N 0 3 342.277 3.665 20 10 EHCDHN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000794833381 1137273237 /nfs/dbraw/zinc/27/32/37/1137273237.db2.gz VKNOXUWNODLVHW-CHWSQXEVSA-N 0 3 343.309 3.844 20 10 EHCDHN CN(Cc1ccc(Cl)cc1Cl)Cc1c(O)cc(O)cc1O ZINC001144500483 1137301206 /nfs/dbraw/zinc/30/12/06/1137301206.db2.gz UUHUYQBHUXDGOG-UHFFFAOYSA-N 0 3 328.195 3.742 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccccc1[O-] ZINC000866422896 1137353716 /nfs/dbraw/zinc/35/37/16/1137353716.db2.gz STVALOFBAUWHNC-GOSISDBHSA-N 0 3 327.424 3.853 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1[O-] ZINC000866473592 1137357798 /nfs/dbraw/zinc/35/77/98/1137357798.db2.gz DUCOTQUYDFYJAJ-QGZVFWFLSA-N 0 3 343.496 3.581 20 10 EHCDHN C[C@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccc(N(C)C)cc1 ZINC000866640097 1137372027 /nfs/dbraw/zinc/37/20/27/1137372027.db2.gz CDPMMZLPWYZLNR-AWEZNQCLSA-N 0 3 325.456 3.583 20 10 EHCDHN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825843405 1137642200 /nfs/dbraw/zinc/64/22/00/1137642200.db2.gz YHMJHOZAMYOGAH-GOSISDBHSA-N 0 3 348.874 3.755 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CC1(F)F ZINC000877033659 1137668263 /nfs/dbraw/zinc/66/82/63/1137668263.db2.gz JOKFANMCCSEXSO-TUKIKUTGSA-N 0 3 344.833 3.643 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c([O-])c1 ZINC000877544761 1137680715 /nfs/dbraw/zinc/68/07/15/1137680715.db2.gz WOOPSSBPURDUDT-NRFANRHFSA-N 0 3 325.452 3.518 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c([O-])c1 ZINC000877544761 1137680716 /nfs/dbraw/zinc/68/07/16/1137680716.db2.gz WOOPSSBPURDUDT-NRFANRHFSA-N 0 3 325.452 3.518 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000877612913 1137682925 /nfs/dbraw/zinc/68/29/25/1137682925.db2.gz QLWHLASLFXKTQU-GOEBONIOSA-N 0 3 341.455 3.662 20 10 EHCDHN Cc1ccc(C[NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)c([O-])c1 ZINC000877639655 1137683969 /nfs/dbraw/zinc/68/39/69/1137683969.db2.gz OAXVFCPKCBHVRI-HXUWFJFHSA-N 0 3 341.451 3.686 20 10 EHCDHN Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000879647436 1137753413 /nfs/dbraw/zinc/75/34/13/1137753413.db2.gz CERKJTNSXJFUSB-JKSUJKDBSA-N 0 3 326.440 3.537 20 10 EHCDHN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649745 1137753626 /nfs/dbraw/zinc/75/36/26/1137753626.db2.gz TZOMMCRRPKMCRB-SJORKVTESA-N 0 3 340.467 3.869 20 10 EHCDHN COC(=O)c1cc(C[N@H+](C)Cc2c([O-])ccc3ccccc32)oc1C ZINC000028793171 1137869713 /nfs/dbraw/zinc/86/97/13/1137869713.db2.gz HAMMUAILKDEHOE-UHFFFAOYSA-N 0 3 339.391 3.865 20 10 EHCDHN COC(=O)c1cc(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)oc1C ZINC000028793171 1137869714 /nfs/dbraw/zinc/86/97/14/1137869714.db2.gz HAMMUAILKDEHOE-UHFFFAOYSA-N 0 3 339.391 3.865 20 10 EHCDHN COC(=O)c1cc(CN(C)Cc2c(O)ccc3ccccc32)oc1C ZINC000028793171 1137869715 /nfs/dbraw/zinc/86/97/15/1137869715.db2.gz HAMMUAILKDEHOE-UHFFFAOYSA-N 0 3 339.391 3.865 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(C)cc(OC)c2OC)c1 ZINC000886153366 1138053521 /nfs/dbraw/zinc/05/35/21/1138053521.db2.gz DLBSNQDZLAMMGK-CYBMUJFWSA-N 0 3 331.412 3.577 20 10 EHCDHN COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCOC1 ZINC000886359359 1138071127 /nfs/dbraw/zinc/07/11/27/1138071127.db2.gz AZVSAAFVWZIGHE-QUCCMNQESA-N 0 3 341.451 3.590 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c2c1c(F)ccc2[O-] ZINC000886771988 1138137626 /nfs/dbraw/zinc/13/76/26/1138137626.db2.gz QUIIMAREXABYJR-OEFXGQFGSA-N 0 3 349.446 3.642 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000263729205 1138351161 /nfs/dbraw/zinc/35/11/61/1138351161.db2.gz XPJLQNTXWDKBCV-UHFFFAOYSA-N 0 3 339.435 3.835 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000301750628 1138635761 /nfs/dbraw/zinc/63/57/61/1138635761.db2.gz JGPMEIVLFABVGP-LSDHHAIUSA-N 0 3 334.460 3.832 20 10 EHCDHN COCc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000179236262 1139744985 /nfs/dbraw/zinc/74/49/85/1139744985.db2.gz IQLBHNAZMWWBBA-HXUWFJFHSA-N 0 3 341.451 3.720 20 10 EHCDHN COCc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000179236262 1139744988 /nfs/dbraw/zinc/74/49/88/1139744988.db2.gz IQLBHNAZMWWBBA-HXUWFJFHSA-N 0 3 341.451 3.720 20 10 EHCDHN COCCOCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179643143 1139771564 /nfs/dbraw/zinc/77/15/64/1139771564.db2.gz RLQQWCAKCVKRAV-KRWDZBQOSA-N 0 3 329.440 3.618 20 10 EHCDHN COCCOCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179643143 1139771570 /nfs/dbraw/zinc/77/15/70/1139771570.db2.gz RLQQWCAKCVKRAV-KRWDZBQOSA-N 0 3 329.440 3.618 20 10 EHCDHN COc1ccccc1COC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000181551202 1139914798 /nfs/dbraw/zinc/91/47/98/1139914798.db2.gz DHDGCUARILKULV-UHFFFAOYSA-N 0 3 345.414 3.721 20 10 EHCDHN COc1ccccc1COC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000181549698 1139914967 /nfs/dbraw/zinc/91/49/67/1139914967.db2.gz FJJDJTDNBNVSCL-UHFFFAOYSA-N 0 3 327.424 3.582 20 10 EHCDHN COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183475371 1140041063 /nfs/dbraw/zinc/04/10/63/1140041063.db2.gz UVYVFORBYQXZKW-HOTGVXAUSA-N 0 3 326.440 3.578 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183543255 1140045600 /nfs/dbraw/zinc/04/56/00/1140045600.db2.gz JDMQVWJOVZNNHF-GFCCVEGCSA-N 0 3 348.830 3.734 20 10 EHCDHN C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000183619673 1140050669 /nfs/dbraw/zinc/05/06/69/1140050669.db2.gz FESQYJLMXBKRRU-NHYWBVRUSA-N 0 3 336.229 3.539 20 10 EHCDHN CC(C)C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1nccs1 ZINC000183635679 1140051069 /nfs/dbraw/zinc/05/10/69/1140051069.db2.gz GEEZAGCMEHUMLE-TZMCWYRMSA-N 0 3 333.457 3.553 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000185072316 1140135197 /nfs/dbraw/zinc/13/51/97/1140135197.db2.gz GXGFCNQGDLLRPO-HNNXBMFYSA-N 0 3 344.430 3.527 20 10 EHCDHN CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185470812 1140151211 /nfs/dbraw/zinc/15/12/11/1140151211.db2.gz FXBORGZBLAOVEE-ORAYPTAESA-N 0 3 333.403 3.703 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2n1 ZINC000268849319 1141007983 /nfs/dbraw/zinc/00/79/83/1141007983.db2.gz PISZQAPQYMKBLM-QGZVFWFLSA-N 0 3 347.462 3.922 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271224774 1141328309 /nfs/dbraw/zinc/32/83/09/1141328309.db2.gz ACKRIICHIPLTGF-MAUKXSAKSA-N 0 3 332.419 3.573 20 10 EHCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(N(C)C)c(C)c2)c1 ZINC000271565051 1141398617 /nfs/dbraw/zinc/39/86/17/1141398617.db2.gz YJHJAQOXBURHAD-HNNXBMFYSA-N 0 3 325.456 3.870 20 10 EHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274342638 1141499910 /nfs/dbraw/zinc/49/99/10/1141499910.db2.gz DIOITQZIMWKXCF-PXAZEXFGSA-N 0 3 329.396 3.584 20 10 EHCDHN CCCC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1[O-] ZINC000283081782 1141550309 /nfs/dbraw/zinc/55/03/09/1141550309.db2.gz REZNPVXFVIXUQI-UHFFFAOYSA-N 0 3 336.439 3.980 20 10 EHCDHN CCCC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1[O-] ZINC000283081782 1141550313 /nfs/dbraw/zinc/55/03/13/1141550313.db2.gz REZNPVXFVIXUQI-UHFFFAOYSA-N 0 3 336.439 3.980 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2ccncc2)c1[O-] ZINC000275287199 1016307870 /nfs/dbraw/zinc/30/78/70/1016307870.db2.gz FRZAOCMBHARULB-LBPRGKRZSA-N 0 3 335.245 3.751 20 10 EHCDHN CC(C)NC(=O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000236642044 1017392598 /nfs/dbraw/zinc/39/25/98/1017392598.db2.gz OZVMTOAFEIAVJG-UHFFFAOYSA-N 0 3 334.504 3.601 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000155571752 1018366714 /nfs/dbraw/zinc/36/67/14/1018366714.db2.gz FZTKAFOJQDORJG-OXQOHEQNSA-N 0 3 340.467 3.968 20 10 EHCDHN CC[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C)cc1[O-] ZINC000280016765 1020010973 /nfs/dbraw/zinc/01/09/73/1020010973.db2.gz HCWQYRAQUJLPEO-APWZRJJASA-N 0 3 338.451 3.826 20 10 EHCDHN CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280101614 1020083330 /nfs/dbraw/zinc/08/33/30/1020083330.db2.gz NENCFARPZCEEFM-GOSISDBHSA-N 0 3 347.480 3.605 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000382466269 1033027552 /nfs/dbraw/zinc/02/75/52/1033027552.db2.gz MFOSCUTZOQISFP-SOUVJXGZSA-N 0 3 334.460 3.879 20 10 EHCDHN CC[C@H](NCc1cc(C)cc(OC)c1O)c1cccc(OC)c1OC ZINC000895455375 1024531994 /nfs/dbraw/zinc/53/19/94/1024531994.db2.gz XCQGWOAJJLGOSH-INIZCTEOSA-N 0 3 345.439 3.967 20 10 EHCDHN COc1cccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000320764042 1024633600 /nfs/dbraw/zinc/63/36/00/1024633600.db2.gz PBSUYUQDZKQJAW-UHFFFAOYSA-N 0 3 333.815 3.889 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)c2cncs2)c1[O-] ZINC000897932193 1033233493 /nfs/dbraw/zinc/23/34/93/1033233493.db2.gz JNCYPCQNEBUEHX-SECBINFHSA-N 0 3 327.247 3.770 20 10 EHCDHN Cc1cc(Br)cc(CN[C@H](C)c2cncs2)c1O ZINC000897932193 1033233504 /nfs/dbraw/zinc/23/35/04/1033233504.db2.gz JNCYPCQNEBUEHX-SECBINFHSA-N 0 3 327.247 3.770 20 10 EHCDHN COc1ccc(CN2CC[C@H](C)C[C@H]2c2ccco2)c(O)c1OC ZINC000892154424 1025051355 /nfs/dbraw/zinc/05/13/55/1025051355.db2.gz YEQMSGSSGBLLGD-ZFWWWQNUSA-N 0 3 331.412 3.976 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000897227411 1026525211 /nfs/dbraw/zinc/52/52/11/1026525211.db2.gz CSBYTLBDTCXBQA-GFCCVEGCSA-N 0 3 327.852 3.738 20 10 EHCDHN CCc1cccc(CN[C@@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330214 1028282525 /nfs/dbraw/zinc/28/25/25/1028282525.db2.gz LUWNYXKCEAKWEH-INIZCTEOSA-N 0 3 339.357 3.797 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)c([O-])c1 ZINC000527779993 1031216044 /nfs/dbraw/zinc/21/60/44/1031216044.db2.gz OFHLRDUGKRFNEK-ZDUSSCGKSA-N 0 3 331.412 3.659 20 10 EHCDHN CCOc1ccc(CN[C@@H](C)c2ccc(OC)cc2OC)c(O)c1 ZINC000527779993 1031216055 /nfs/dbraw/zinc/21/60/55/1031216055.db2.gz OFHLRDUGKRFNEK-ZDUSSCGKSA-N 0 3 331.412 3.659 20 10 EHCDHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000527971811 1031546889 /nfs/dbraw/zinc/54/68/89/1031546889.db2.gz URCULZLRZSJQAI-SJLPKXTDSA-N 0 3 340.467 3.634 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000180758884 1031905575 /nfs/dbraw/zinc/90/55/75/1031905575.db2.gz APBXAEYCRHRESH-UHFFFAOYSA-N 0 3 347.777 3.567 20 10 EHCDHN COc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1Cn1cccn1 ZINC000898317597 1033452553 /nfs/dbraw/zinc/45/25/53/1033452553.db2.gz JRPOHHXSVSEXFF-OAQYLSRUSA-N 0 3 348.450 3.576 20 10 EHCDHN CCCN(CC(=O)Nc1ccc(C)cc1C)Cc1ccccc1O ZINC000170779334 1033601248 /nfs/dbraw/zinc/60/12/48/1033601248.db2.gz UFZOPKWOSXQIOC-UHFFFAOYSA-N 0 3 326.440 3.860 20 10 EHCDHN [O-]c1ccccc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529639239 1034326940 /nfs/dbraw/zinc/32/69/40/1034326940.db2.gz ZIEJNUHOJKQGRE-UHFFFAOYSA-N 0 3 341.455 3.888 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1cc(F)ccc1[O-] ZINC000310311550 1034327869 /nfs/dbraw/zinc/32/78/69/1034327869.db2.gz UCKXINOVGGTEMY-YZVOILCLSA-N 0 3 328.431 3.845 20 10 EHCDHN Fc1cc(CN[C@H]2CCCc3sccc32)ccc1N1CCOCC1 ZINC000165189361 1036286265 /nfs/dbraw/zinc/28/62/65/1036286265.db2.gz RVPAIJWMXMOYPG-KRWDZBQOSA-N 0 3 346.471 3.891 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000179875343 1037955067 /nfs/dbraw/zinc/95/50/67/1037955067.db2.gz LOWRZDZWIXRQFG-LSDHHAIUSA-N 0 3 334.460 3.690 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185681211 1039178540 /nfs/dbraw/zinc/17/85/40/1039178540.db2.gz JEZDFHOWZWHBLV-DGCLKSJQSA-N 0 3 336.357 3.739 20 10 EHCDHN [O-]c1ccccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000238095998 1039489851 /nfs/dbraw/zinc/48/98/51/1039489851.db2.gz WZCGWLUGFQKXMD-UHFFFAOYSA-N 0 3 325.408 3.723 20 10 EHCDHN CCO[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC000195188352 1041399901 /nfs/dbraw/zinc/39/99/01/1041399901.db2.gz ILAMVEOEYKNJPJ-QGZVFWFLSA-N 0 3 335.831 3.922 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1[O-] ZINC000183429180 1125564452 /nfs/dbraw/zinc/56/44/52/1125564452.db2.gz XYGMBSRHNGWGQI-HNNXBMFYSA-N 0 3 328.481 3.796 20 10 EHCDHN CCC[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1[O-] ZINC000072597752 1126794113 /nfs/dbraw/zinc/79/41/13/1126794113.db2.gz UQTJSDQARYTLMZ-UHFFFAOYSA-N 0 3 326.440 3.941 20 10 EHCDHN CCC[N@@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1[O-] ZINC000072597752 1126794115 /nfs/dbraw/zinc/79/41/15/1126794115.db2.gz UQTJSDQARYTLMZ-UHFFFAOYSA-N 0 3 326.440 3.941 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000186003580 1127221416 /nfs/dbraw/zinc/22/14/16/1127221416.db2.gz LNTXGASABMOBBA-QLJPJBMISA-N 0 3 343.320 3.934 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1cc(F)ccc1[O-] ZINC000186184182 1128067754 /nfs/dbraw/zinc/06/77/54/1128067754.db2.gz URQARSQYXOFNFH-QWHCGFSZSA-N 0 3 326.375 3.524 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000186184168 1128067905 /nfs/dbraw/zinc/06/79/05/1128067905.db2.gz URQARSQYXOFNFH-OLZOCXBDSA-N 0 3 326.375 3.524 20 10 EHCDHN Cc1noc(C[C@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)n1 ZINC000922059320 1129067297 /nfs/dbraw/zinc/06/72/97/1129067297.db2.gz KMSVGXXCAKXGRT-IBGZPJMESA-N 0 3 349.434 3.777 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccccc1[O-] ZINC000179882275 1123887236 /nfs/dbraw/zinc/88/72/36/1123887236.db2.gz RQLZUJSBGNSZGG-ZBEGNZNMSA-N 0 3 348.805 3.641 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000180275041 1123975392 /nfs/dbraw/zinc/97/53/92/1123975392.db2.gz NSLMDRPPXAJWDW-HKUYNNGSSA-N 0 3 333.378 3.759 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000180275041 1123975395 /nfs/dbraw/zinc/97/53/95/1123975395.db2.gz NSLMDRPPXAJWDW-HKUYNNGSSA-N 0 3 333.378 3.759 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2C(C)C)c1 ZINC000182361201 1125263531 /nfs/dbraw/zinc/26/35/31/1125263531.db2.gz MRLUQLAZMAGLSB-CQSZACIVSA-N 0 3 342.439 3.814 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc(C(C)C)c2)c1 ZINC000182407015 1125281435 /nfs/dbraw/zinc/28/14/35/1125281435.db2.gz GLCRDFRYXNBUJL-CQSZACIVSA-N 0 3 342.439 3.814 20 10 EHCDHN CCOCc1cc(CNCc2ccccc2N(C)C)ccc1OC ZINC000265882642 1129627752 /nfs/dbraw/zinc/62/77/52/1129627752.db2.gz VCWSGIYEPDTYFI-UHFFFAOYSA-N 0 3 328.456 3.588 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)c([O-])c1 ZINC000706400811 1130570920 /nfs/dbraw/zinc/57/09/20/1130570920.db2.gz MVVMCYDIRMVSFB-ZUIJCZDSSA-N 0 3 346.471 3.751 20 10 EHCDHN C[C@@H]1SCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccccc1 ZINC000738259152 1131464986 /nfs/dbraw/zinc/46/49/86/1131464986.db2.gz SVYJEHFQQUDBNT-DJJJIMSYSA-N 0 3 343.448 3.800 20 10 EHCDHN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)c(C)n1-c1ccccc1C ZINC000741718771 1131636719 /nfs/dbraw/zinc/63/67/19/1131636719.db2.gz CEIUURKZGBJUSY-SFHVURJKSA-N 0 3 339.483 3.569 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768243062 1133120371 /nfs/dbraw/zinc/12/03/71/1133120371.db2.gz GUCXGGWMWMBPBX-INIZCTEOSA-N 0 3 330.859 3.752 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768243062 1133120373 /nfs/dbraw/zinc/12/03/73/1133120373.db2.gz GUCXGGWMWMBPBX-INIZCTEOSA-N 0 3 330.859 3.752 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CC1CCCCC1)[C@H](O)CO2 ZINC000768443601 1133140317 /nfs/dbraw/zinc/14/03/17/1133140317.db2.gz HKQRYUDVXJZZKN-QFBILLFUSA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CC1CCCCC1)[C@H](O)CO2 ZINC000768443601 1133140318 /nfs/dbraw/zinc/14/03/18/1133140318.db2.gz HKQRYUDVXJZZKN-QFBILLFUSA-N 0 3 331.456 3.753 20 10 EHCDHN COc1cc(CN2CCSC[C@H]2c2ccccc2)c(O)cc1C ZINC000768446294 1133140679 /nfs/dbraw/zinc/14/06/79/1133140679.db2.gz JHRKVWRRQXFKBI-KRWDZBQOSA-N 0 3 329.465 3.999 20 10 EHCDHN Oc1cc2c(cc1CN1CCCC[C@@H]1c1ccc(F)cc1)[C@@H](O)CO2 ZINC000768464477 1133143990 /nfs/dbraw/zinc/14/39/90/1133143990.db2.gz SLGWDOZIJHTSDK-MJGOQNOKSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)[C@@H](O)CO2 ZINC000768464477 1133143993 /nfs/dbraw/zinc/14/39/93/1133143993.db2.gz SLGWDOZIJHTSDK-MJGOQNOKSA-N 0 3 343.398 3.684 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)[C@@H](O)CO2 ZINC000768464477 1133143999 /nfs/dbraw/zinc/14/39/99/1133143999.db2.gz SLGWDOZIJHTSDK-MJGOQNOKSA-N 0 3 343.398 3.684 20 10 EHCDHN C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466564 1133145085 /nfs/dbraw/zinc/14/50/85/1133145085.db2.gz SBMDZQYCIBNNFG-LLSQANQASA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466564 1133145088 /nfs/dbraw/zinc/14/50/88/1133145088.db2.gz SBMDZQYCIBNNFG-LLSQANQASA-N 0 3 343.398 3.540 20 10 EHCDHN CCN(C)c1ccc(CN(C)Cc2cc(OC)cc(OC)c2)cc1 ZINC000773748983 1133177409 /nfs/dbraw/zinc/17/74/09/1133177409.db2.gz IBCAEWHUTFIKIW-UHFFFAOYSA-N 0 3 328.456 3.792 20 10 EHCDHN CN(C)c1ccc(CN2CCCN(c3ccccc3)CC2)cc1F ZINC000768999839 1133219150 /nfs/dbraw/zinc/21/91/50/1133219150.db2.gz PZNWFPQKLXKESZ-UHFFFAOYSA-N 0 3 327.447 3.604 20 10 EHCDHN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000769120266 1133229571 /nfs/dbraw/zinc/22/95/71/1133229571.db2.gz JLFSFGPGBREDBK-FQEVSTJZSA-N 0 3 343.515 3.510 20 10 EHCDHN O[C@H]([C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000769380508 1133272993 /nfs/dbraw/zinc/27/29/93/1133272993.db2.gz GDXSZBUDUNIGQK-IAGOWNOFSA-N 0 3 342.405 3.565 20 10 EHCDHN CCOc1ccc(C[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)c([O-])c1 ZINC000769444728 1133291704 /nfs/dbraw/zinc/29/17/04/1133291704.db2.gz CRJSMVCGOZCVDI-HXUWFJFHSA-N 0 3 345.414 3.628 20 10 EHCDHN CCOc1ccc(C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)c([O-])c1 ZINC000769444728 1133291708 /nfs/dbraw/zinc/29/17/08/1133291708.db2.gz CRJSMVCGOZCVDI-HXUWFJFHSA-N 0 3 345.414 3.628 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000769451723 1133293680 /nfs/dbraw/zinc/29/36/80/1133293680.db2.gz MKAQCEGVXIWDOJ-KRWDZBQOSA-N 0 3 326.440 3.502 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000769451723 1133293682 /nfs/dbraw/zinc/29/36/82/1133293682.db2.gz MKAQCEGVXIWDOJ-KRWDZBQOSA-N 0 3 326.440 3.502 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000769471311 1133298509 /nfs/dbraw/zinc/29/85/09/1133298509.db2.gz SFMAHUPLWCEKRE-UHFFFAOYSA-N 0 3 326.440 3.786 20 10 EHCDHN CCOCc1cc(CNCc2ccc3c(c2)COC3)ccc1OC ZINC000769927901 1133367899 /nfs/dbraw/zinc/36/78/99/1133367899.db2.gz JCOYCJCZGDJEGF-UHFFFAOYSA-N 0 3 327.424 3.552 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000769929584 1133368301 /nfs/dbraw/zinc/36/83/01/1133368301.db2.gz CNHOXQNJSITCCK-FOIQADDNSA-N 0 3 328.456 3.572 20 10 EHCDHN [O-]c1ccccc1C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000770508674 1133436342 /nfs/dbraw/zinc/43/63/42/1133436342.db2.gz DEGVVGUIAWBAKQ-UHFFFAOYSA-N 0 3 330.859 3.754 20 10 EHCDHN [O-]c1ccccc1C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000770508674 1133436344 /nfs/dbraw/zinc/43/63/44/1133436344.db2.gz DEGVVGUIAWBAKQ-UHFFFAOYSA-N 0 3 330.859 3.754 20 10 EHCDHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771387122 1133550738 /nfs/dbraw/zinc/55/07/38/1133550738.db2.gz IDOKTYBEGUPBQG-SJORKVTESA-N 0 3 325.456 3.638 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCC1=CCCCC1 ZINC000774487263 1133689001 /nfs/dbraw/zinc/68/90/01/1133689001.db2.gz YFSMMGALEKKZLY-DLBZAZTESA-N 0 3 343.515 3.798 20 10 EHCDHN C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000785567664 1133728330 /nfs/dbraw/zinc/72/83/30/1133728330.db2.gz HACLPGCUKNUSAV-OXQOHEQNSA-N 0 3 343.515 3.727 20 10 EHCDHN COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183928214 1133879723 /nfs/dbraw/zinc/87/97/23/1133879723.db2.gz GJFPTVXFPWOEQP-OAHLLOKOSA-N 0 3 329.440 3.874 20 10 EHCDHN CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccnn1C ZINC000788260305 1134102343 /nfs/dbraw/zinc/10/23/43/1134102343.db2.gz YMNVXDGPBDFVJW-VNHYZAJKSA-N 0 3 331.435 3.843 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC000775129595 1134351800 /nfs/dbraw/zinc/35/18/00/1134351800.db2.gz GNISPYFIRYORLZ-BDJLRTHQSA-N 0 3 341.329 3.675 20 10 EHCDHN Cc1cc(O)c(CN2C[C@@H](C)OC3(CCOCC3)C2)cc1C(C)C ZINC000790398859 1134416044 /nfs/dbraw/zinc/41/60/44/1134416044.db2.gz XYMDHRLXJJWYRU-MRXNPFEDSA-N 0 3 333.472 3.594 20 10 EHCDHN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000792184663 1134665259 /nfs/dbraw/zinc/66/52/59/1134665259.db2.gz HNQWFRPVSUKNCP-OAQYLSRUSA-N 0 3 339.435 3.533 20 10 EHCDHN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1[O-] ZINC000792184663 1134665261 /nfs/dbraw/zinc/66/52/61/1134665261.db2.gz HNQWFRPVSUKNCP-OAQYLSRUSA-N 0 3 339.435 3.533 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(O)c(F)c2)c(C(F)(F)F)c1 ZINC000792993073 1134836408 /nfs/dbraw/zinc/83/64/08/1134836408.db2.gz SSEUENLDOBXKFD-UHFFFAOYSA-N 0 3 342.336 3.906 20 10 EHCDHN CC[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccccc1[O-] ZINC000775519974 1134995217 /nfs/dbraw/zinc/99/52/17/1134995217.db2.gz UNGTYFYJRGNVNQ-GOSISDBHSA-N 0 3 330.472 3.614 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000806138757 1135391265 /nfs/dbraw/zinc/39/12/65/1135391265.db2.gz AZFOKKQCTYGFJL-BZSNNMDCSA-N 0 3 334.891 3.788 20 10 EHCDHN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808676676 1135715303 /nfs/dbraw/zinc/71/53/03/1135715303.db2.gz PKGHFEKGYXKDQS-CYBMUJFWSA-N 0 3 346.858 3.955 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c1[O-] ZINC000808678213 1135715371 /nfs/dbraw/zinc/71/53/71/1135715371.db2.gz LWUXAHIZPOYIPR-CYBMUJFWSA-N 0 3 338.879 3.844 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000808712616 1135718841 /nfs/dbraw/zinc/71/88/41/1135718841.db2.gz AHYKREAHBDCPCZ-WMLDXEAASA-N 0 3 333.859 3.998 20 10 EHCDHN CC(C)N(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000775830253 1135783371 /nfs/dbraw/zinc/78/33/71/1135783371.db2.gz GCKYZHBJXJWVJI-INIZCTEOSA-N 0 3 331.504 3.583 20 10 EHCDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000775834759 1135795408 /nfs/dbraw/zinc/79/54/08/1135795408.db2.gz PSXTZHJFYSDNSB-ZDUSSCGKSA-N 0 3 329.400 3.520 20 10 EHCDHN CSc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837345 1135796043 /nfs/dbraw/zinc/79/60/43/1135796043.db2.gz RLRKWBWMUGZIII-CQSZACIVSA-N 0 3 343.496 3.764 20 10 EHCDHN CCN(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000775834353 1135798527 /nfs/dbraw/zinc/79/85/27/1135798527.db2.gz SEXKNXRDUDLEQJ-MRXNPFEDSA-N 0 3 331.504 3.584 20 10 EHCDHN COC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000809706079 1135875361 /nfs/dbraw/zinc/87/53/61/1135875361.db2.gz KDWWWDYLQUSTGT-UHFFFAOYSA-N 0 3 334.803 3.822 20 10 EHCDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000809718541 1135877503 /nfs/dbraw/zinc/87/75/03/1135877503.db2.gz VNVFYGJQTWXFLO-CKEIUWERSA-N 0 3 334.460 3.516 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC000809772321 1135881497 /nfs/dbraw/zinc/88/14/97/1135881497.db2.gz SUGYKKWNIIGDKK-FQEVSTJZSA-N 0 3 346.471 3.615 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC000809772321 1135881500 /nfs/dbraw/zinc/88/15/00/1135881500.db2.gz SUGYKKWNIIGDKK-FQEVSTJZSA-N 0 3 346.471 3.615 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+](C)Cc2ccc(O)cc2)c1[O-] ZINC000809753402 1135885530 /nfs/dbraw/zinc/88/55/30/1135885530.db2.gz HYFJSRMLLVXDKQ-UHFFFAOYSA-N 0 3 336.229 3.801 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc(O)cc2)c1[O-] ZINC000809753402 1135885532 /nfs/dbraw/zinc/88/55/32/1135885532.db2.gz HYFJSRMLLVXDKQ-UHFFFAOYSA-N 0 3 336.229 3.801 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1[O-] ZINC000809786545 1135891179 /nfs/dbraw/zinc/89/11/79/1135891179.db2.gz DYMIYJYISZLLQS-LBPRGKRZSA-N 0 3 340.261 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H](C3CC3)C2)c1[O-] ZINC000809786545 1135891180 /nfs/dbraw/zinc/89/11/80/1135891180.db2.gz DYMIYJYISZLLQS-LBPRGKRZSA-N 0 3 340.261 3.785 20 10 EHCDHN CCC[C@@]1(CO)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000809790810 1135893028 /nfs/dbraw/zinc/89/30/28/1135893028.db2.gz PQSFNASNTHZGPG-QGZVFWFLSA-N 0 3 344.421 3.756 20 10 EHCDHN CCOc1ccc(C[NH2+]CC2(c3cccc(OC)c3)CC2)c([O-])c1 ZINC000810158085 1135932383 /nfs/dbraw/zinc/93/23/83/1135932383.db2.gz ZNSBBOGHSSWYFB-UHFFFAOYSA-N 0 3 327.424 3.621 20 10 EHCDHN COc1ccc(-n2c(C)cc(CN(C)Cc3[nH]ncc3C)c2C)cc1 ZINC000811466349 1136091090 /nfs/dbraw/zinc/09/10/90/1136091090.db2.gz VQXNTHZDEVPRGZ-UHFFFAOYSA-N 0 3 338.455 3.766 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCn1cccn1 ZINC000776264549 1136115322 /nfs/dbraw/zinc/11/53/22/1136115322.db2.gz JOCPKAXPEOZRIV-HXUWFJFHSA-N 0 3 335.451 3.943 20 10 EHCDHN CO[C@@](C)(C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000812734428 1136239141 /nfs/dbraw/zinc/23/91/41/1136239141.db2.gz LXPALZWXSWGVBV-BZNIZROVSA-N 0 3 342.277 3.929 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000812772941 1136244567 /nfs/dbraw/zinc/24/45/67/1136244567.db2.gz STEOXBNXZAFIDR-HNNXBMFYSA-N 0 3 344.430 3.546 20 10 EHCDHN CC(C)[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000812775293 1136245624 /nfs/dbraw/zinc/24/56/24/1136245624.db2.gz BCNWNSDOBHLQST-IBGZPJMESA-N 0 3 341.451 3.971 20 10 EHCDHN CC(C)[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000812775293 1136245628 /nfs/dbraw/zinc/24/56/28/1136245628.db2.gz BCNWNSDOBHLQST-IBGZPJMESA-N 0 3 341.451 3.971 20 10 EHCDHN CNC(=O)CC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCCCC1 ZINC000850554486 1136284128 /nfs/dbraw/zinc/28/41/28/1136284128.db2.gz DXSRMYFHDAMRMK-MRXNPFEDSA-N 0 3 332.488 3.746 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000850579985 1136291869 /nfs/dbraw/zinc/29/18/69/1136291869.db2.gz DZRWXKYMMWROQG-ZBFHGGJFSA-N 0 3 325.330 3.584 20 10 EHCDHN CNC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000109797488 1136340637 /nfs/dbraw/zinc/34/06/37/1136340637.db2.gz NUXRXSUAVQYPDE-UHFFFAOYSA-N 0 3 338.451 3.697 20 10 EHCDHN CNC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1 ZINC000109797488 1136340641 /nfs/dbraw/zinc/34/06/41/1136340641.db2.gz NUXRXSUAVQYPDE-UHFFFAOYSA-N 0 3 338.451 3.697 20 10 EHCDHN C[C@H]1CC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H](C)C1 ZINC001134686306 1136509056 /nfs/dbraw/zinc/50/90/56/1136509056.db2.gz GZNZWDVPFXUWMM-QINHECLXSA-N 0 3 345.531 3.544 20 10 EHCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CCCCCCC2)N(C)C)cc1 ZINC001134682136 1136511768 /nfs/dbraw/zinc/51/17/68/1136511768.db2.gz WSLVACPOMSWBHX-HXUWFJFHSA-N 0 3 345.531 3.832 20 10 EHCDHN COC(=O)[C@@H](C)[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000815073246 1136547000 /nfs/dbraw/zinc/54/70/00/1136547000.db2.gz YVQRDDFAETUANL-OXJNMPFZSA-N 0 3 340.467 3.701 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000815111973 1136557352 /nfs/dbraw/zinc/55/73/52/1136557352.db2.gz IPFMBSNUNAIZLX-IBGZPJMESA-N 0 3 331.431 3.737 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000815111973 1136557355 /nfs/dbraw/zinc/55/73/55/1136557355.db2.gz IPFMBSNUNAIZLX-IBGZPJMESA-N 0 3 331.431 3.737 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccco1 ZINC000815556697 1136610333 /nfs/dbraw/zinc/61/03/33/1136610333.db2.gz BTMNYKIXDUWYOL-UYAOXDASSA-N 0 3 337.419 3.982 20 10 EHCDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(=O)OC)cc1 ZINC000815571605 1136617891 /nfs/dbraw/zinc/61/78/91/1136617891.db2.gz IAIYNQSSMSZXTL-SFHVURJKSA-N 0 3 344.430 3.919 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1(CO)CCC1 ZINC000815616323 1136619306 /nfs/dbraw/zinc/61/93/06/1136619306.db2.gz LOZXFTJIZGOOSQ-IBGZPJMESA-N 0 3 325.452 3.818 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])C(C)(C)O ZINC000815652232 1136626915 /nfs/dbraw/zinc/62/69/15/1136626915.db2.gz UTHAFPAMLCSNFV-GWCFXTLKSA-N 0 3 330.266 3.663 20 10 EHCDHN CSc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2[O-])N(C)C)cc1 ZINC000816667959 1136748819 /nfs/dbraw/zinc/74/88/19/1136748819.db2.gz APQJMFMMEQMBPC-QGZVFWFLSA-N 0 3 334.460 3.646 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000776864782 1136749098 /nfs/dbraw/zinc/74/90/98/1136749098.db2.gz MHLNJCWDTZUSJY-VYDXJSESSA-N 0 3 334.460 3.690 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170849565 1136769885 /nfs/dbraw/zinc/76/98/85/1136769885.db2.gz MOAVYNLZULDKIF-INIZCTEOSA-N 0 3 332.241 3.802 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000817979576 1136854867 /nfs/dbraw/zinc/85/48/67/1136854867.db2.gz LXJFKSWTTDOOOZ-FRIZHTMISA-N 0 3 346.421 3.714 20 10 EHCDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000817979682 1136855049 /nfs/dbraw/zinc/85/50/49/1136855049.db2.gz MPKUXFVKOSTACR-YJBOKZPZSA-N 0 3 337.458 3.715 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccccc1[O-] ZINC000858476271 1136971427 /nfs/dbraw/zinc/97/14/27/1136971427.db2.gz KOKAICNPLBARLQ-WMLDXEAASA-N 0 3 346.471 3.975 20 10 EHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)c(C)c2)c(OC)c1 ZINC000859630763 1137023615 /nfs/dbraw/zinc/02/36/15/1137023615.db2.gz COPRHKIPNGGGKW-HNNXBMFYSA-N 0 3 328.456 3.929 20 10 EHCDHN COc1cccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1O ZINC000013993993 1137133873 /nfs/dbraw/zinc/13/38/73/1137133873.db2.gz SKBGDUSLVJKLQR-SFHVURJKSA-N 0 3 345.414 3.721 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000862436167 1137144333 /nfs/dbraw/zinc/14/43/33/1137144333.db2.gz YIYYCHQNQVFIJB-UHFFFAOYSA-N 0 3 331.387 3.583 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000862485144 1137146602 /nfs/dbraw/zinc/14/66/02/1137146602.db2.gz HXGADADCMIDJSX-PBHICJAKSA-N 0 3 349.471 3.591 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c([O-])c1 ZINC000862485144 1137146603 /nfs/dbraw/zinc/14/66/03/1137146603.db2.gz HXGADADCMIDJSX-PBHICJAKSA-N 0 3 349.471 3.591 20 10 EHCDHN COC[C@@H](C[NH2+]Cc1c([O-])cccc1OC)c1ccc(Cl)cc1 ZINC000824758322 1137152482 /nfs/dbraw/zinc/15/24/82/1137152482.db2.gz SWJHYVTXUHZQJW-CQSZACIVSA-N 0 3 335.831 3.574 20 10 EHCDHN CO[C@@H]([C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000825099369 1137163455 /nfs/dbraw/zinc/16/34/55/1137163455.db2.gz YNACYRMXXCQDGD-BTYIYWSLSA-N 0 3 341.451 3.874 20 10 EHCDHN CN(C)c1ccc(CN[C@@H]2CCCN(C)c3ccccc32)cc1F ZINC000825112459 1137165867 /nfs/dbraw/zinc/16/58/67/1137165867.db2.gz UHYKFWURGICQAX-GOSISDBHSA-N 0 3 327.447 3.953 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1ccc(C)cc1[O-] ZINC000794803365 1137255040 /nfs/dbraw/zinc/25/50/40/1137255040.db2.gz QTHNHEZBZVMILD-HKUYNNGSSA-N 0 3 343.467 3.798 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O)c1ccc(C)cc1[O-] ZINC000794817076 1137265173 /nfs/dbraw/zinc/26/51/73/1137265173.db2.gz OTNZSICSIBXGCE-RBUKOAKNSA-N 0 3 338.451 3.855 20 10 EHCDHN C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000773026696 1137460219 /nfs/dbraw/zinc/46/02/19/1137460219.db2.gz OQRIQAZHFPHDDW-TWOQFEAHSA-N 0 3 337.467 3.597 20 10 EHCDHN COc1ccc(N2CCC(N[C@@H](C)c3cc(O)ccc3F)CC2)cc1 ZINC000872031476 1137566508 /nfs/dbraw/zinc/56/65/08/1137566508.db2.gz PFVVXNWWKQLLMW-AWEZNQCLSA-N 0 3 344.430 3.860 20 10 EHCDHN COc1cccc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)c1O ZINC000873184542 1137593007 /nfs/dbraw/zinc/59/30/07/1137593007.db2.gz DCFZOHLSKGWYKB-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN CC(C)N(Cc1ccco1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876567335 1137655759 /nfs/dbraw/zinc/65/57/59/1137655759.db2.gz IQGUEHGQWBSUMF-UHFFFAOYSA-N 0 3 328.456 3.651 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000876988229 1137666994 /nfs/dbraw/zinc/66/69/94/1137666994.db2.gz DRPPHQZNBFEPNP-INIZCTEOSA-N 0 3 330.497 3.764 20 10 EHCDHN Cc1ccc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000877663673 1137684934 /nfs/dbraw/zinc/68/49/34/1137684934.db2.gz FOMNPFBEKOYPHS-HNNXBMFYSA-N 0 3 325.330 3.543 20 10 EHCDHN C[C@@H]([NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)c1ccccc1[O-] ZINC000877755640 1137688160 /nfs/dbraw/zinc/68/81/60/1137688160.db2.gz JEVGQQRZNGJPSG-LLVKDONJSA-N 0 3 339.361 3.795 20 10 EHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878326727 1137710920 /nfs/dbraw/zinc/71/09/20/1137710920.db2.gz UYTIHOUNPTZQHV-LPHOPBHVSA-N 0 3 348.450 3.734 20 10 EHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878326727 1137710921 /nfs/dbraw/zinc/71/09/21/1137710921.db2.gz UYTIHOUNPTZQHV-LPHOPBHVSA-N 0 3 348.450 3.734 20 10 EHCDHN Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])C2CC2)cc1 ZINC000879651664 1137753827 /nfs/dbraw/zinc/75/38/27/1137753827.db2.gz FWIQEKMLDWRPKE-BTYIYWSLSA-N 0 3 338.451 3.619 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000130211891 1137835189 /nfs/dbraw/zinc/83/51/89/1137835189.db2.gz MFOSCUTZOQISFP-ZNMIVQPWSA-N 0 3 334.460 3.879 20 10 EHCDHN Cc1ccc([C@H](C)NCc2ccnc(-c3ccccn3)n2)c(O)c1C ZINC000883293945 1137853328 /nfs/dbraw/zinc/85/33/28/1137853328.db2.gz LLFYBFSMUZFNCG-HNNXBMFYSA-N 0 3 334.423 3.712 20 10 EHCDHN Cc1ccc(O)c(CNCc2cc(NC(=O)OC(C)(C)C)ccn2)c1 ZINC000886265339 1138062482 /nfs/dbraw/zinc/06/24/82/1138062482.db2.gz FQLNQDHMSQAYJV-UHFFFAOYSA-N 0 3 343.427 3.732 20 10 EHCDHN COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCCOC1 ZINC000886359360 1138070853 /nfs/dbraw/zinc/07/08/53/1138070853.db2.gz AZVSAAFVWZIGHE-UYAOXDASSA-N 0 3 341.451 3.590 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000301750572 1138635540 /nfs/dbraw/zinc/63/55/40/1138635540.db2.gz BKZUFDDTAZQULY-GJZGRUSLSA-N 0 3 334.460 3.832 20 10 EHCDHN CC1(C)Cc2occc2[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000151062331 1139005493 /nfs/dbraw/zinc/00/54/93/1139005493.db2.gz YPEXCMMFWNCXEK-IBGZPJMESA-N 0 3 340.467 3.920 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccs1 ZINC000151522657 1139040431 /nfs/dbraw/zinc/04/04/31/1139040431.db2.gz NAWYXCNCWJAYIE-ZDUSSCGKSA-N 0 3 334.460 3.699 20 10 EHCDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000182033089 1139946156 /nfs/dbraw/zinc/94/61/56/1139946156.db2.gz AQYHUVHCQXADTK-ZDUSSCGKSA-N 0 3 329.419 3.701 20 10 EHCDHN COc1cc(O)c(CNC2(c3cccc(Cl)c3)CC2)cc1OC ZINC000182413569 1139970761 /nfs/dbraw/zinc/97/07/61/1139970761.db2.gz KSUWTWZMTCMWIM-UHFFFAOYSA-N 0 3 333.815 3.842 20 10 EHCDHN Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c([O-])c1O ZINC000182839611 1139996306 /nfs/dbraw/zinc/99/63/06/1139996306.db2.gz HJXOVWJNXBKLAM-UHFFFAOYSA-N 0 3 340.423 3.563 20 10 EHCDHN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183426609 1140037646 /nfs/dbraw/zinc/03/76/46/1140037646.db2.gz KAERLBNNDLWGSF-HUUCEWRRSA-N 0 3 326.440 3.771 20 10 EHCDHN CCN1CCN(c2ccccc2N[C@H](C)c2ccccc2O)CC1 ZINC000183669395 1140052782 /nfs/dbraw/zinc/05/27/82/1140052782.db2.gz IJDLHJOYMKLAQA-MRXNPFEDSA-N 0 3 325.456 3.707 20 10 EHCDHN COC(=O)CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185999739 1140181863 /nfs/dbraw/zinc/18/18/63/1140181863.db2.gz HENVZAZZVQRLNS-GUYCJALGSA-N 0 3 331.387 3.876 20 10 EHCDHN C[C@@H](NCc1cccc(N(C)C)n1)c1cc2c(cc1O)CCCC2 ZINC000186179506 1140190732 /nfs/dbraw/zinc/19/07/32/1140190732.db2.gz GSZOZHIMTVDUIV-CQSZACIVSA-N 0 3 325.456 3.583 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1[O-] ZINC000187525209 1140259862 /nfs/dbraw/zinc/25/98/62/1140259862.db2.gz RRTURTBCGICALJ-UHFFFAOYSA-N 0 3 335.831 3.571 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1 ZINC000268856916 1141009632 /nfs/dbraw/zinc/00/96/32/1141009632.db2.gz RCVKEIOKCRITGW-AWEZNQCLSA-N 0 3 346.421 3.777 20 10 EHCDHN [O-]c1ccccc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000271248088 1141332821 /nfs/dbraw/zinc/33/28/21/1141332821.db2.gz DBZZDBZXWJEUEK-UHFFFAOYSA-N 0 3 334.423 3.557 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000271297344 1141340900 /nfs/dbraw/zinc/34/09/00/1141340900.db2.gz SMKAXHSFECHENJ-QUCCMNQESA-N 0 3 341.476 3.766 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000271297344 1141340906 /nfs/dbraw/zinc/34/09/06/1141340906.db2.gz SMKAXHSFECHENJ-QUCCMNQESA-N 0 3 341.476 3.766 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCn1ccnc1 ZINC000274868801 1015543808 /nfs/dbraw/zinc/54/38/08/1015543808.db2.gz CUTONSXVSILMTN-FQEVSTJZSA-N 0 3 335.451 3.943 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)CCOCC2)c1[O-] ZINC000275291578 1016323961 /nfs/dbraw/zinc/32/39/61/1016323961.db2.gz GQGUQGXSYNFVCB-GFCCVEGCSA-N 0 3 342.277 3.930 20 10 EHCDHN CC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccc(N(C)C)cc1 ZINC000155465147 1017803433 /nfs/dbraw/zinc/80/34/33/1017803433.db2.gz CQBFYVKPHONWNT-HXUWFJFHSA-N 0 3 325.456 3.952 20 10 EHCDHN CCOC(=O)c1[nH]c2ccc(C)cc2c1CNCc1ccccc1O ZINC000894212703 1019342158 /nfs/dbraw/zinc/34/21/58/1019342158.db2.gz GPDFZLVMDRHAHB-UHFFFAOYSA-N 0 3 338.407 3.648 20 10 EHCDHN CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]Cc1ccccc1[O-] ZINC000894212703 1019342176 /nfs/dbraw/zinc/34/21/76/1019342176.db2.gz GPDFZLVMDRHAHB-UHFFFAOYSA-N 0 3 338.407 3.648 20 10 EHCDHN Cc1cc(Br)cc(CN2CCC(C(F)F)CC2)c1O ZINC000307865995 1019799753 /nfs/dbraw/zinc/79/97/53/1019799753.db2.gz ABOMUYGZHGBFOM-UHFFFAOYSA-N 0 3 334.204 3.940 20 10 EHCDHN COC[C@@H](NCc1cc(C)cc(OC)c1O)c1cccc(Cl)c1 ZINC000894788419 1022916842 /nfs/dbraw/zinc/91/68/42/1022916842.db2.gz ZVYNJYBNWFKFOB-MRXNPFEDSA-N 0 3 335.831 3.840 20 10 EHCDHN Cc1cc(CN[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccccc1 ZINC000326586090 1023118454 /nfs/dbraw/zinc/11/84/54/1023118454.db2.gz BSEBDJMHFQFVRU-HXUWFJFHSA-N 0 3 334.467 3.995 20 10 EHCDHN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000176164011 1023438977 /nfs/dbraw/zinc/43/89/77/1023438977.db2.gz FLBIJVZKXFNSCO-CYBMUJFWSA-N 0 3 349.471 3.559 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000896511071 1025494228 /nfs/dbraw/zinc/49/42/28/1025494228.db2.gz FHVNCSOROJAUHT-SNVBAGLBSA-N 0 3 336.775 3.813 20 10 EHCDHN COc1cc(Cl)cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC000896511071 1025494237 /nfs/dbraw/zinc/49/42/37/1025494237.db2.gz FHVNCSOROJAUHT-SNVBAGLBSA-N 0 3 336.775 3.813 20 10 EHCDHN COC1(C)CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273211917 1027313108 /nfs/dbraw/zinc/31/31/08/1027313108.db2.gz TYCXLQCJQJBLRE-UHFFFAOYSA-N 0 3 341.451 3.972 20 10 EHCDHN COC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273459133 1027439630 /nfs/dbraw/zinc/43/96/30/1027439630.db2.gz IIVIGPKOPRRKSK-UHFFFAOYSA-N 0 3 327.424 3.582 20 10 EHCDHN Cc1ccc([C@H](C)NCc2cccnc2OCC(F)F)c(O)c1C ZINC000273469384 1027444603 /nfs/dbraw/zinc/44/46/03/1027444603.db2.gz JITXHRCNUOSBFM-ZDUSSCGKSA-N 0 3 336.382 3.899 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760018356 1028566831 /nfs/dbraw/zinc/56/68/31/1028566831.db2.gz OFXOVLIUDPCSHG-AEFFLSMTSA-N 0 3 342.508 3.660 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760018360 1028571609 /nfs/dbraw/zinc/57/16/09/1028571609.db2.gz OFXOVLIUDPCSHG-FUHWJXTLSA-N 0 3 342.508 3.660 20 10 EHCDHN COc1cc(Cl)cc(CN[C@@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898178358 1033379588 /nfs/dbraw/zinc/37/95/88/1033379588.db2.gz BHXHQAYITJFKNF-LBPRGKRZSA-N 0 3 349.862 3.902 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)c1[O-] ZINC000898178358 1033379592 /nfs/dbraw/zinc/37/95/92/1033379592.db2.gz BHXHQAYITJFKNF-LBPRGKRZSA-N 0 3 349.862 3.902 20 10 EHCDHN CCOc1cc(CN[C@@H](C)c2cc(OC)ccc2O)c(F)cc1OC ZINC000529568536 1034221697 /nfs/dbraw/zinc/22/16/97/1034221697.db2.gz AVWZKDMDUJLPEI-LBPRGKRZSA-N 0 3 349.402 3.798 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000529637172 1034322937 /nfs/dbraw/zinc/32/29/37/1034322937.db2.gz OREAHEBJQBMIMQ-SFHVURJKSA-N 0 3 341.451 3.878 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1[O-] ZINC000761216041 1034584035 /nfs/dbraw/zinc/58/40/35/1034584035.db2.gz OGQJKVMXOBMZTF-AWEZNQCLSA-N 0 3 347.842 3.955 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1[O-] ZINC000761216041 1034584045 /nfs/dbraw/zinc/58/40/45/1034584045.db2.gz OGQJKVMXOBMZTF-AWEZNQCLSA-N 0 3 347.842 3.955 20 10 EHCDHN COC(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000171943277 1034729967 /nfs/dbraw/zinc/72/99/67/1034729967.db2.gz FJKHENKKSXOQRY-UHFFFAOYSA-N 0 3 329.396 3.717 20 10 EHCDHN COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000171943277 1034729982 /nfs/dbraw/zinc/72/99/82/1034729982.db2.gz FJKHENKKSXOQRY-UHFFFAOYSA-N 0 3 329.396 3.717 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC000725846141 1035202410 /nfs/dbraw/zinc/20/24/10/1035202410.db2.gz XTOYACSSUOWFFG-ZDUSSCGKSA-N 0 3 340.423 3.526 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(-n2cc(Cl)cn2)n1 ZINC000191531951 1036409588 /nfs/dbraw/zinc/40/95/88/1036409588.db2.gz DXNKSPDCKSBEGY-ZDUSSCGKSA-N 0 3 342.830 3.786 20 10 EHCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCOC1 ZINC000106858167 1043061174 /nfs/dbraw/zinc/06/11/74/1043061174.db2.gz KKAGRLIUUIWVQR-CYBMUJFWSA-N 0 3 336.229 3.529 20 10 EHCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCOC1 ZINC000106858167 1043061182 /nfs/dbraw/zinc/06/11/82/1043061182.db2.gz KKAGRLIUUIWVQR-CYBMUJFWSA-N 0 3 336.229 3.529 20 10 EHCDHN COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCCC2)c1 ZINC000183381033 1125543446 /nfs/dbraw/zinc/54/34/46/1125543446.db2.gz FALOMVYERXGNPL-OXJNMPFZSA-N 0 3 340.467 3.889 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1[O-] ZINC000183435432 1125565337 /nfs/dbraw/zinc/56/53/37/1125565337.db2.gz BIVPPLIUHFIAMK-HNNXBMFYSA-N 0 3 347.418 3.890 20 10 EHCDHN C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000183618032 1125620926 /nfs/dbraw/zinc/62/09/26/1125620926.db2.gz ITGLQOCJRSMYSS-NSHDSACASA-N 0 3 326.318 3.536 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000763834262 1126880123 /nfs/dbraw/zinc/88/01/23/1126880123.db2.gz KPVWFHLVRBLCQM-QGZVFWFLSA-N 0 3 332.488 3.641 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000763834262 1126880129 /nfs/dbraw/zinc/88/01/29/1126880129.db2.gz KPVWFHLVRBLCQM-QGZVFWFLSA-N 0 3 332.488 3.641 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000763834260 1126880442 /nfs/dbraw/zinc/88/04/42/1126880442.db2.gz KPVWFHLVRBLCQM-KRWDZBQOSA-N 0 3 332.488 3.641 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000763834260 1126880446 /nfs/dbraw/zinc/88/04/46/1126880446.db2.gz KPVWFHLVRBLCQM-KRWDZBQOSA-N 0 3 332.488 3.641 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c([O-])c1 ZINC000185577018 1126947955 /nfs/dbraw/zinc/94/79/55/1126947955.db2.gz OFZLAOUSOIATKB-OAHLLOKOSA-N 0 3 339.414 3.919 20 10 EHCDHN COc1cc(C)ccc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000765282381 1127592612 /nfs/dbraw/zinc/59/26/12/1127592612.db2.gz PMWDMWXDAVRYBM-QGZVFWFLSA-N 0 3 340.467 3.691 20 10 EHCDHN COc1ccc([C@@H]2C[C@H]([N@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665127 1128745054 /nfs/dbraw/zinc/74/50/54/1128745054.db2.gz MJIBROKVSDWKHQ-XLIONFOSSA-N 0 3 327.424 3.753 20 10 EHCDHN COc1ccc([C@@H]2C[C@H]([N@@H+](C)Cc3ccccc3[O-])CCO2)cc1 ZINC001168665127 1128745059 /nfs/dbraw/zinc/74/50/59/1128745059.db2.gz MJIBROKVSDWKHQ-XLIONFOSSA-N 0 3 327.424 3.753 20 10 EHCDHN CN(C)c1ccc(CN(C[C@H](O)c2c(F)cccc2F)C2CC2)cc1 ZINC000917013474 1122438892 /nfs/dbraw/zinc/43/88/92/1122438892.db2.gz CDJOJUQXYNWKDC-IBGZPJMESA-N 0 3 346.421 3.729 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccccc1[O-] ZINC000179885109 1123892136 /nfs/dbraw/zinc/89/21/36/1123892136.db2.gz VXUSELLVNRIRGV-LLVKDONJSA-N 0 3 326.318 3.579 20 10 EHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cc1OC ZINC000179903769 1123894737 /nfs/dbraw/zinc/89/47/37/1123894737.db2.gz JVMYYBRKTHIAFD-MRXNPFEDSA-N 0 3 331.387 3.886 20 10 EHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cc1OC ZINC000179903769 1123894745 /nfs/dbraw/zinc/89/47/45/1123894745.db2.gz JVMYYBRKTHIAFD-MRXNPFEDSA-N 0 3 331.387 3.886 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(C#N)c1 ZINC000181529867 1124919368 /nfs/dbraw/zinc/91/93/68/1124919368.db2.gz QKGXNASDHFYORY-MRXNPFEDSA-N 0 3 337.492 3.962 20 10 EHCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCS[C@@H](C)C2)c1[O-] ZINC000922840829 1129685444 /nfs/dbraw/zinc/68/54/44/1129685444.db2.gz BCIJIVMAYOQLIG-JOYOIKCWSA-N 0 3 346.290 3.537 20 10 EHCDHN CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000321875701 1130178219 /nfs/dbraw/zinc/17/82/19/1130178219.db2.gz IJPNHUORQGDFRR-JYJNAYRXSA-N 0 3 346.471 3.805 20 10 EHCDHN CCCN(CC(=O)Nc1ccc(OCC)cc1)Cc1ccccc1O ZINC000727831031 1130598484 /nfs/dbraw/zinc/59/84/84/1130598484.db2.gz DEZBIVBYRWQMCI-UHFFFAOYSA-N 0 3 342.439 3.642 20 10 EHCDHN C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847744 1130850126 /nfs/dbraw/zinc/85/01/26/1130850126.db2.gz NIFPTBNSOIMZJY-QFBILLFUSA-N 0 3 344.499 3.832 20 10 EHCDHN C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847744 1130850133 /nfs/dbraw/zinc/85/01/33/1130850133.db2.gz NIFPTBNSOIMZJY-QFBILLFUSA-N 0 3 344.499 3.832 20 10 EHCDHN CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743375620 1131913658 /nfs/dbraw/zinc/91/36/58/1131913658.db2.gz IZYZZJCMIZSGNV-IBGZPJMESA-N 0 3 347.462 3.647 20 10 EHCDHN CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743375620 1131913661 /nfs/dbraw/zinc/91/36/61/1131913661.db2.gz IZYZZJCMIZSGNV-IBGZPJMESA-N 0 3 347.462 3.647 20 10 EHCDHN Cc1cccc(OCCCNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001177148245 1133035214 /nfs/dbraw/zinc/03/52/14/1133035214.db2.gz AHTYOKGNFOBNSK-UHFFFAOYSA-N 0 3 334.410 3.898 20 10 EHCDHN CCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000768162562 1133103270 /nfs/dbraw/zinc/10/32/70/1133103270.db2.gz QENLRWOTWBVJMM-FQEVSTJZSA-N 0 3 341.451 3.972 20 10 EHCDHN CCOc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000768162562 1133103272 /nfs/dbraw/zinc/10/32/72/1133103272.db2.gz QENLRWOTWBVJMM-FQEVSTJZSA-N 0 3 341.451 3.972 20 10 EHCDHN CCn1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC000768351255 1133128863 /nfs/dbraw/zinc/12/88/63/1133128863.db2.gz JCQROHGUNLUXLM-UHFFFAOYSA-N 0 3 328.504 3.996 20 10 EHCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768439273 1133139298 /nfs/dbraw/zinc/13/92/98/1133139298.db2.gz JRXBDSINRRLVAS-IBGZPJMESA-N 0 3 331.456 3.610 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000768530858 1133151145 /nfs/dbraw/zinc/15/11/45/1133151145.db2.gz XHUMFNSCDMPGEM-UHFFFAOYSA-N 0 3 327.424 3.753 20 10 EHCDHN CCN(C)c1ccc(CN(C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000773766286 1133193546 /nfs/dbraw/zinc/19/35/46/1133193546.db2.gz QPGRCFMGOMYIRB-UHFFFAOYSA-N 0 3 326.440 3.561 20 10 EHCDHN Cc1c(C[N@@H+](C)Cc2ccccc2[O-])sc2nc(C)nc(C)c12 ZINC000768872103 1133193673 /nfs/dbraw/zinc/19/36/73/1133193673.db2.gz CQIZSJCPYZAADE-UHFFFAOYSA-N 0 3 327.453 3.954 20 10 EHCDHN Cc1c(C[N@H+](C)Cc2ccccc2[O-])sc2nc(C)nc(C)c12 ZINC000768872103 1133193675 /nfs/dbraw/zinc/19/36/75/1133193675.db2.gz CQIZSJCPYZAADE-UHFFFAOYSA-N 0 3 327.453 3.954 20 10 EHCDHN C[C@@H](NCc1cn2ccc(Br)cc2n1)c1ccccc1O ZINC001179488914 1133255378 /nfs/dbraw/zinc/25/53/78/1133255378.db2.gz AFIBYNNWESJHHS-LLVKDONJSA-N 0 3 346.228 3.653 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([O-])c1 ZINC000769318014 1133260979 /nfs/dbraw/zinc/26/09/79/1133260979.db2.gz YKQMARDRGFXTAO-QGZVFWFLSA-N 0 3 341.407 3.857 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c([O-])c1 ZINC000769318014 1133260984 /nfs/dbraw/zinc/26/09/84/1133260984.db2.gz YKQMARDRGFXTAO-QGZVFWFLSA-N 0 3 341.407 3.857 20 10 EHCDHN COc1ccccc1[C@@H](C[NH2+]Cc1c([O-])cccc1OC)OC(C)C ZINC000769932700 1133369166 /nfs/dbraw/zinc/36/91/66/1133369166.db2.gz IVEOWKUDUCYGCX-HXUWFJFHSA-N 0 3 345.439 3.665 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c([O-])c1 ZINC000771875535 1133604378 /nfs/dbraw/zinc/60/43/78/1133604378.db2.gz WACWGVUJCCZOBB-PXNSSMCTSA-N 0 3 327.424 3.658 20 10 EHCDHN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000774487315 1133689036 /nfs/dbraw/zinc/68/90/36/1133689036.db2.gz ZAXVZJBJNDJWPF-HUUCEWRRSA-N 0 3 343.446 3.878 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000785566983 1133727681 /nfs/dbraw/zinc/72/76/81/1133727681.db2.gz CNRGNBIEZVBYBH-ROUUACIJSA-N 0 3 330.472 3.757 20 10 EHCDHN C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccccc1[O-] ZINC000785570049 1133729068 /nfs/dbraw/zinc/72/90/68/1133729068.db2.gz NBMLPQRKFORGBT-AWEZNQCLSA-N 0 3 330.859 3.755 20 10 EHCDHN COC(=O)c1cccc2c(C[NH2+][C@H](C)c3ccccc3[O-])ccnc12 ZINC001183354737 1133793102 /nfs/dbraw/zinc/79/31/02/1133793102.db2.gz GGZUZJIDTFFGBL-CYBMUJFWSA-N 0 3 336.391 3.578 20 10 EHCDHN CCN(C)C(=O)OC[C@H]1CCCCN1Cc1ccc(N(C)CC)cc1 ZINC001170055032 1133797699 /nfs/dbraw/zinc/79/76/99/1133797699.db2.gz XLHCKRDWLXBEDP-LJQANCHMSA-N 0 3 347.503 3.586 20 10 EHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCS2 ZINC000786580233 1133869919 /nfs/dbraw/zinc/86/99/19/1133869919.db2.gz NZYIUHUPBVFILM-KRWDZBQOSA-N 0 3 327.449 3.957 20 10 EHCDHN Cc1cc(C)c([C@H](C)Nc2ccc(N3CCN(C)CC3)cc2)c(O)c1 ZINC000788720316 1134162503 /nfs/dbraw/zinc/16/25/03/1134162503.db2.gz VMKMSGVWWKPGPI-KRWDZBQOSA-N 0 3 339.483 3.934 20 10 EHCDHN CC(C)(C)OCCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000789349624 1134253504 /nfs/dbraw/zinc/25/35/04/1134253504.db2.gz ZCODYDXMRCGVHJ-SFHVURJKSA-N 0 3 335.488 3.969 20 10 EHCDHN CC(C)(C)OCCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000789349624 1134253509 /nfs/dbraw/zinc/25/35/09/1134253509.db2.gz ZCODYDXMRCGVHJ-SFHVURJKSA-N 0 3 335.488 3.969 20 10 EHCDHN Cc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000790408024 1134411894 /nfs/dbraw/zinc/41/18/94/1134411894.db2.gz SIOCSAUBSGCEFJ-QYWGDWMGSA-N 0 3 347.499 3.766 20 10 EHCDHN CC(C)N(C)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000790992254 1134489697 /nfs/dbraw/zinc/48/96/97/1134489697.db2.gz VVJLUCAQJUHIHT-INIZCTEOSA-N 0 3 326.488 3.843 20 10 EHCDHN CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1OC ZINC000793386735 1134920651 /nfs/dbraw/zinc/92/06/51/1134920651.db2.gz YLZVMMXYDXHUEW-CQSZACIVSA-N 0 3 345.439 3.877 20 10 EHCDHN CC1(C)CCC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC001192014979 1134956854 /nfs/dbraw/zinc/95/68/54/1134956854.db2.gz XUKUOTIOYNTUQH-QZTJIDSGSA-N 0 3 333.472 3.721 20 10 EHCDHN CC1(C)CCC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC001192014979 1134956861 /nfs/dbraw/zinc/95/68/61/1134956861.db2.gz XUKUOTIOYNTUQH-QZTJIDSGSA-N 0 3 333.472 3.721 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(-c3ccccn3)nc2)c1 ZINC001192781317 1135054265 /nfs/dbraw/zinc/05/42/65/1135054265.db2.gz UKTGESMKVHECEK-AWEZNQCLSA-N 0 3 335.407 3.709 20 10 EHCDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001170449263 1135060714 /nfs/dbraw/zinc/06/07/14/1135060714.db2.gz LLBMPURSNBTIBD-INIZCTEOSA-N 0 3 325.408 3.500 20 10 EHCDHN CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2cccc([O-])c2C1 ZINC001170449263 1135060717 /nfs/dbraw/zinc/06/07/17/1135060717.db2.gz LLBMPURSNBTIBD-INIZCTEOSA-N 0 3 325.408 3.500 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC001193838161 1135184655 /nfs/dbraw/zinc/18/46/55/1135184655.db2.gz GNZXXAWATIPGTP-IBGZPJMESA-N 0 3 344.499 3.928 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC001193838161 1135184658 /nfs/dbraw/zinc/18/46/58/1135184658.db2.gz GNZXXAWATIPGTP-IBGZPJMESA-N 0 3 344.499 3.928 20 10 EHCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1ccccc1Cl ZINC000775643364 1135383480 /nfs/dbraw/zinc/38/34/80/1135383480.db2.gz WEGLIWQPOXKMGJ-UHFFFAOYSA-N 0 3 343.902 3.724 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)c([O-])c1 ZINC000808431054 1135674420 /nfs/dbraw/zinc/67/44/20/1135674420.db2.gz CFLNJRAQZVZOPH-CQSZACIVSA-N 0 3 345.439 3.967 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000808675447 1135714365 /nfs/dbraw/zinc/71/43/65/1135714365.db2.gz GZFMDTUOSGXVKJ-ZDUSSCGKSA-N 0 3 338.879 3.652 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c1[O-] ZINC000808708074 1135717241 /nfs/dbraw/zinc/71/72/41/1135717241.db2.gz GJDMHFSMXQKEDE-SUNYJGFJSA-N 0 3 333.859 3.997 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1[O-] ZINC000808708726 1135718498 /nfs/dbraw/zinc/71/84/98/1135718498.db2.gz PGSQSRCLKFVCCW-SECBINFHSA-N 0 3 347.768 3.957 20 10 EHCDHN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775833557 1135789818 /nfs/dbraw/zinc/78/98/18/1135789818.db2.gz DQGKGQWISQLVOM-IAGOWNOFSA-N 0 3 339.483 3.623 20 10 EHCDHN Cc1ccc(C)c(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775836291 1135796053 /nfs/dbraw/zinc/79/60/53/1135796053.db2.gz LXBUEKPMJKSDNV-MRXNPFEDSA-N 0 3 325.456 3.659 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1[O-] ZINC000809655728 1135866696 /nfs/dbraw/zinc/86/66/96/1135866696.db2.gz OZVFLNNNCXZYKY-GOSISDBHSA-N 0 3 349.858 3.904 20 10 EHCDHN COCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])CC(C)C ZINC000160960491 1135873205 /nfs/dbraw/zinc/87/32/05/1135873205.db2.gz WGIZBQPXDIRPIJ-UHFFFAOYSA-N 0 3 330.266 3.568 20 10 EHCDHN COCC[N@H+](Cc1cc(Br)cc(C)c1[O-])CC(C)C ZINC000160960491 1135873207 /nfs/dbraw/zinc/87/32/07/1135873207.db2.gz WGIZBQPXDIRPIJ-UHFFFAOYSA-N 0 3 330.266 3.568 20 10 EHCDHN Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000809704220 1135875470 /nfs/dbraw/zinc/87/54/70/1135875470.db2.gz ZZUSTQXFAHHMKO-FQEVSTJZSA-N 0 3 329.415 3.785 20 10 EHCDHN OCCCN(Cc1ccccn1)Cc1cc(-c2ccccc2)ccc1O ZINC000809746455 1135884534 /nfs/dbraw/zinc/88/45/34/1135884534.db2.gz TUSGXRUMNCHPPB-UHFFFAOYSA-N 0 3 348.446 3.839 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000809746455 1135884536 /nfs/dbraw/zinc/88/45/36/1135884536.db2.gz TUSGXRUMNCHPPB-UHFFFAOYSA-N 0 3 348.446 3.839 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000809746455 1135884537 /nfs/dbraw/zinc/88/45/37/1135884537.db2.gz TUSGXRUMNCHPPB-UHFFFAOYSA-N 0 3 348.446 3.839 20 10 EHCDHN C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1[O-] ZINC000775981561 1135908188 /nfs/dbraw/zinc/90/81/88/1135908188.db2.gz FYFXZGKBGYXPBP-UHFFFAOYSA-N 0 3 347.842 3.881 20 10 EHCDHN C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1ccccc1[O-] ZINC000775981561 1135908192 /nfs/dbraw/zinc/90/81/92/1135908192.db2.gz FYFXZGKBGYXPBP-UHFFFAOYSA-N 0 3 347.842 3.881 20 10 EHCDHN CCOc1cccc(CN2Cc3ccc(OC)cc3C3(CC3)C2)c1O ZINC000811519508 1136098518 /nfs/dbraw/zinc/09/85/18/1136098518.db2.gz YEJXKZPIUOEZFP-UHFFFAOYSA-N 0 3 339.435 3.847 20 10 EHCDHN COc1cc(CN[C@H](CO)c2ccsc2)c(O)c(C(C)(C)C)c1 ZINC000850249785 1136226749 /nfs/dbraw/zinc/22/67/49/1136226749.db2.gz HWSPMLPZULTNSR-MRXNPFEDSA-N 0 3 335.469 3.583 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)F)nc1 ZINC000850426787 1136256455 /nfs/dbraw/zinc/25/64/55/1136256455.db2.gz FBNQJYOVHXWSHJ-CQSZACIVSA-N 0 3 347.409 3.707 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1ccc(C)cc1[O-] ZINC000850484680 1136267947 /nfs/dbraw/zinc/26/79/47/1136267947.db2.gz NZONALZITZFTIN-LJQANCHMSA-N 0 3 326.440 3.578 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3cccnc3Cl)C2)cc1 ZINC000850486245 1136268538 /nfs/dbraw/zinc/26/85/38/1136268538.db2.gz BEQZXUMUWZLQPJ-KGLIPLIRSA-N 0 3 331.847 3.673 20 10 EHCDHN CC[C@@H](NCc1c(C2CCC2)cnn1C)c1ccc(N(C)C)cc1 ZINC000850550775 1136283885 /nfs/dbraw/zinc/28/38/85/1136283885.db2.gz OFDFLOUBNZFDDE-LJQANCHMSA-N 0 3 326.488 3.995 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2SCCS2)c1[O-] ZINC000850562471 1136286441 /nfs/dbraw/zinc/28/64/41/1136286441.db2.gz VMSMSIZKRGZDGS-VIFPVBQESA-N 0 3 348.331 3.920 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2SCCS2)c1[O-] ZINC000850562470 1136286515 /nfs/dbraw/zinc/28/65/15/1136286515.db2.gz VMSMSIZKRGZDGS-SECBINFHSA-N 0 3 348.331 3.920 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c([O-])c1 ZINC000813793550 1136363330 /nfs/dbraw/zinc/36/33/30/1136363330.db2.gz UHKSZYLWMNUVPX-XIKOKIGWSA-N 0 3 333.453 3.645 20 10 EHCDHN C[C@H]([C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001134686447 1136509047 /nfs/dbraw/zinc/50/90/47/1136509047.db2.gz KPSUMGYXRMYBGR-FCEWJHQRSA-N 0 3 347.547 3.790 20 10 EHCDHN CC1=C(C)C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686300 1136509117 /nfs/dbraw/zinc/50/91/17/1136509117.db2.gz GZBDBDZCJRDRJC-AZUAARDMSA-N 0 3 343.515 3.608 20 10 EHCDHN Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853522002 1136540171 /nfs/dbraw/zinc/54/01/71/1136540171.db2.gz ICMCWSYPCNWIGO-HKUYNNGSSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853522002 1136540173 /nfs/dbraw/zinc/54/01/73/1136540173.db2.gz ICMCWSYPCNWIGO-HKUYNNGSSA-N 0 3 339.435 3.772 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccco1 ZINC000815556696 1136610127 /nfs/dbraw/zinc/61/01/27/1136610127.db2.gz BTMNYKIXDUWYOL-QUCCMNQESA-N 0 3 337.419 3.982 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000815559348 1136610602 /nfs/dbraw/zinc/61/06/02/1136610602.db2.gz DZDDRVXLFGGGSU-OAHLLOKOSA-N 0 3 332.488 3.697 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCc1cnccn1 ZINC000815601083 1136617459 /nfs/dbraw/zinc/61/74/59/1136617459.db2.gz NGHNAKGCWSMEKE-FQEVSTJZSA-N 0 3 333.435 3.688 20 10 EHCDHN CN1CCN(c2ccc(NCc3ccc4ccccc4c3O)cc2)CC1 ZINC000816524849 1136733672 /nfs/dbraw/zinc/73/36/72/1136733672.db2.gz TZZZJPOBPCCBNQ-UHFFFAOYSA-N 0 3 347.462 3.909 20 10 EHCDHN Cn1c2ccc(F)cc2nc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553499 1136735997 /nfs/dbraw/zinc/73/59/97/1136735997.db2.gz XQBIVPCWWMWKIM-UHFFFAOYSA-N 0 3 335.382 3.861 20 10 EHCDHN CC(C)n1ncc2cc(CN[C@H](C)c3ccc(N(C)C)cc3)cnc21 ZINC000776943184 1136880165 /nfs/dbraw/zinc/88/01/65/1136880165.db2.gz ZMKNQAQWOYVTCB-OAHLLOKOSA-N 0 3 337.471 3.929 20 10 EHCDHN C[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(N2CCCCC2)cc1 ZINC000858528243 1136976369 /nfs/dbraw/zinc/97/63/69/1136976369.db2.gz PEQFPQWVBAYMHT-IERDGZPVSA-N 0 3 349.478 3.891 20 10 EHCDHN COC[C@H](NCc1ccccc1O)c1cccc(Br)c1 ZINC000865823104 1137314192 /nfs/dbraw/zinc/31/41/92/1137314192.db2.gz BPGZHGIAJKUJQE-HNNXBMFYSA-N 0 3 336.229 3.632 20 10 EHCDHN COC[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(Br)c1 ZINC000865823104 1137314194 /nfs/dbraw/zinc/31/41/94/1137314194.db2.gz BPGZHGIAJKUJQE-HNNXBMFYSA-N 0 3 336.229 3.632 20 10 EHCDHN CCOc1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1O ZINC000846016371 1137326228 /nfs/dbraw/zinc/32/62/28/1137326228.db2.gz UODRHWDPYGPDBZ-UHFFFAOYSA-N 0 3 333.325 3.657 20 10 EHCDHN Cc1cc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794902177 1137332492 /nfs/dbraw/zinc/33/24/92/1137332492.db2.gz POHBAGQEIJPVFJ-KKSFZXQISA-N 0 3 347.499 3.768 20 10 EHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)CC2 ZINC000866409158 1137352394 /nfs/dbraw/zinc/35/23/94/1137352394.db2.gz IPZAUCRXJRBLDY-CVEARBPZSA-N 0 3 335.806 3.885 20 10 EHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171543520 1137494379 /nfs/dbraw/zinc/49/43/79/1137494379.db2.gz LCLWIGOATQMWOC-CYBMUJFWSA-N 0 3 333.353 3.725 20 10 EHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171543520 1137494380 /nfs/dbraw/zinc/49/43/80/1137494380.db2.gz LCLWIGOATQMWOC-CYBMUJFWSA-N 0 3 333.353 3.725 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872080976 1137570300 /nfs/dbraw/zinc/57/03/00/1137570300.db2.gz UZSWGTOIQGAUNK-GJZGRUSLSA-N 0 3 344.430 3.717 20 10 EHCDHN CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(F)c1 ZINC000124682454 1137607319 /nfs/dbraw/zinc/60/73/19/1137607319.db2.gz JQKYBCAQSCHUAR-UHFFFAOYSA-N 0 3 346.421 3.826 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000876719427 1137659698 /nfs/dbraw/zinc/65/96/98/1137659698.db2.gz LDSHZTBGNMIBBF-UHFFFAOYSA-N 0 3 334.460 3.532 20 10 EHCDHN Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2C)c([O-])c1 ZINC000876994677 1137667245 /nfs/dbraw/zinc/66/72/45/1137667245.db2.gz OAOPRAAGBWEKRD-UHFFFAOYSA-N 0 3 332.831 3.781 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c([O-])c1 ZINC000877167845 1137672121 /nfs/dbraw/zinc/67/21/21/1137672121.db2.gz LBOQMPVMYAZROU-UHFFFAOYSA-N 0 3 339.361 3.753 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000877484247 1137677905 /nfs/dbraw/zinc/67/79/05/1137677905.db2.gz YZGULCGPSRRLRG-LSDHHAIUSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000877617015 1137683152 /nfs/dbraw/zinc/68/31/52/1137683152.db2.gz QQOQUGNOOGGTAS-GDBMZVCRSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000877617015 1137683153 /nfs/dbraw/zinc/68/31/53/1137683153.db2.gz QQOQUGNOOGGTAS-GDBMZVCRSA-N 0 3 334.460 3.578 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(Cc3nccs3)CC2)c([O-])c1 ZINC000877674482 1137685286 /nfs/dbraw/zinc/68/52/86/1137685286.db2.gz OWVZZDSLONTWKH-UHFFFAOYSA-N 0 3 332.469 3.702 20 10 EHCDHN COCCc1ccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877758332 1137688448 /nfs/dbraw/zinc/68/84/48/1137688448.db2.gz TUYCUVAJRUCEQH-CVEARBPZSA-N 0 3 329.440 3.699 20 10 EHCDHN COc1ccc(O)c(CN[C@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000877829299 1137692542 /nfs/dbraw/zinc/69/25/42/1137692542.db2.gz YOYDQUBXNLUQTG-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN CN(C)c1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1F ZINC000883398431 1137859741 /nfs/dbraw/zinc/85/97/41/1137859741.db2.gz MLZLYGVOGLFBSP-LJQANCHMSA-N 0 3 338.430 3.619 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000886629866 1138103658 /nfs/dbraw/zinc/10/36/58/1138103658.db2.gz PXOUIIKOFFVBEK-OIISXLGYSA-N 0 3 328.431 3.527 20 10 EHCDHN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263707738 1138346561 /nfs/dbraw/zinc/34/65/61/1138346561.db2.gz SUWUAUVHXUVECG-IBGZPJMESA-N 0 3 333.435 3.960 20 10 EHCDHN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(N2CCOCC2)cc1 ZINC000152234028 1139080526 /nfs/dbraw/zinc/08/05/26/1139080526.db2.gz ZDMMFKNDJNOOOQ-DNVCBOLYSA-N 0 3 326.440 3.844 20 10 EHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccsc3)cc2F)CC1 ZINC000177972226 1139659598 /nfs/dbraw/zinc/65/95/98/1139659598.db2.gz MTOZOSOCBIEJMG-HNNXBMFYSA-N 0 3 347.503 3.880 20 10 EHCDHN CCOc1ccc(O)c(CNCc2ccc(OC(C)(C)C)nc2)c1 ZINC000180888204 1139871150 /nfs/dbraw/zinc/87/11/50/1139871150.db2.gz KZXICXVNENCMQD-UHFFFAOYSA-N 0 3 330.428 3.653 20 10 EHCDHN C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccccc1[O-] ZINC000183443724 1140039002 /nfs/dbraw/zinc/03/90/02/1140039002.db2.gz IYIHIGXVWOZSOE-HNNXBMFYSA-N 0 3 329.415 3.930 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183633533 1140050939 /nfs/dbraw/zinc/05/09/39/1140050939.db2.gz DDUIDISGASKFLL-OEPMTFCVSA-N 0 3 332.394 3.766 20 10 EHCDHN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(C)cc1O ZINC000184883703 1140123883 /nfs/dbraw/zinc/12/38/83/1140123883.db2.gz MDWZUMIFCWKWMI-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1cc(C)ccc1O ZINC000184883522 1140123889 /nfs/dbraw/zinc/12/38/89/1140123889.db2.gz NMFIJNAKUBXULH-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccccc1[O-] ZINC000186745937 1140219596 /nfs/dbraw/zinc/21/95/96/1140219596.db2.gz BMVMRPRZHTVCAO-LBPRGKRZSA-N 0 3 340.345 3.622 20 10 EHCDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000271456287 1141371417 /nfs/dbraw/zinc/37/14/17/1141371417.db2.gz GVEGGJDBABLNDJ-BBRMVZONSA-N 0 3 330.394 3.641 20 10 EHCDHN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000271456288 1141372338 /nfs/dbraw/zinc/37/23/38/1141372338.db2.gz GVEGGJDBABLNDJ-CJNGLKHVSA-N 0 3 330.394 3.641 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163616877 1016559457 /nfs/dbraw/zinc/55/94/57/1016559457.db2.gz UOBZSKRPFQFEKD-HZPDHXFCSA-N 0 3 331.504 3.631 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cn3ccnc3s2)cc1F ZINC000892948417 1017899987 /nfs/dbraw/zinc/89/99/87/1017899987.db2.gz RBDBWYWYCWSFIY-UHFFFAOYSA-N 0 3 332.448 3.671 20 10 EHCDHN CCC[N@H+](Cc1ccc(Br)cn1)Cc1ccccc1[O-] ZINC000172532244 1032765343 /nfs/dbraw/zinc/76/53/43/1032765343.db2.gz VWNKQRACYBEORJ-UHFFFAOYSA-N 0 3 335.245 3.962 20 10 EHCDHN CCC[N@@H+](Cc1ccc(Br)cn1)Cc1ccccc1[O-] ZINC000172532244 1032765355 /nfs/dbraw/zinc/76/53/55/1032765355.db2.gz VWNKQRACYBEORJ-UHFFFAOYSA-N 0 3 335.245 3.962 20 10 EHCDHN CC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(C)cc1[O-] ZINC000280073916 1020062661 /nfs/dbraw/zinc/06/26/61/1020062661.db2.gz LDWODIHJRZRWJS-QGZVFWFLSA-N 0 3 342.487 3.692 20 10 EHCDHN CC[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1[O-] ZINC000280077421 1020066000 /nfs/dbraw/zinc/06/60/00/1020066000.db2.gz LMVFYCVVWQFENQ-HIFRSBDPSA-N 0 3 330.394 3.626 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc(CC(F)(F)F)s2)c1 ZINC000894501636 1022429592 /nfs/dbraw/zinc/42/95/92/1022429592.db2.gz DPJYXFCPSLQWOK-SECBINFHSA-N 0 3 346.374 3.813 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2-n2ccnc2)cc1 ZINC000151490044 1024116721 /nfs/dbraw/zinc/11/67/21/1024116721.db2.gz JVTSTHINBDLUHL-MRXNPFEDSA-N 0 3 335.455 3.574 20 10 EHCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C(C)(C)C1 ZINC000283060996 1024130156 /nfs/dbraw/zinc/13/01/56/1024130156.db2.gz TXDYHFQAYUUVIU-INIZCTEOSA-N 0 3 334.460 3.517 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282373276 1024547675 /nfs/dbraw/zinc/54/76/75/1024547675.db2.gz IMDUXOQFMNDHPG-SJLPKXTDSA-N 0 3 339.439 3.739 20 10 EHCDHN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197833 1025372838 /nfs/dbraw/zinc/37/28/38/1025372838.db2.gz YKTARHAMEQJCKQ-ZIAGYGMSSA-N 0 3 325.474 3.515 20 10 EHCDHN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2[O-])C1 ZINC000892197833 1025372849 /nfs/dbraw/zinc/37/28/49/1025372849.db2.gz YKTARHAMEQJCKQ-ZIAGYGMSSA-N 0 3 325.474 3.515 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(F)(F)F)c1[O-] ZINC000848531022 1025859661 /nfs/dbraw/zinc/85/96/61/1025859661.db2.gz JGLHMVJJRMEZLR-ZETCQYMHSA-N 0 3 342.155 3.766 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](C)c2cnn(CC3CCC3)c2)cc1 ZINC000934559937 1026799265 /nfs/dbraw/zinc/79/92/65/1026799265.db2.gz UWHWKUYXPRQZCK-MRXNPFEDSA-N 0 3 326.488 3.990 20 10 EHCDHN COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000273493130 1027456804 /nfs/dbraw/zinc/45/68/04/1027456804.db2.gz ORRYWQGKVXEMML-GFCCVEGCSA-N 0 3 332.375 3.603 20 10 EHCDHN Cc1ccc(CN[C@H](CO)c2ccccc2C(F)(F)F)c(O)c1 ZINC000897330163 1028277911 /nfs/dbraw/zinc/27/79/11/1028277911.db2.gz JBMDAIHKACFMAT-OAHLLOKOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000271840822 1029196465 /nfs/dbraw/zinc/19/64/65/1029196465.db2.gz QTQUSWPJBJNGSY-CQSZACIVSA-N 0 3 340.261 3.654 20 10 EHCDHN COc1cc2c(cc1OC)CN(Cc1cc(C)cc(C)c1O)CC2 ZINC000192459569 1029683747 /nfs/dbraw/zinc/68/37/47/1029683747.db2.gz ASXNTDSHBLGSFT-UHFFFAOYSA-N 0 3 327.424 3.585 20 10 EHCDHN COC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(C)o1 ZINC000156441332 1029848156 /nfs/dbraw/zinc/84/81/56/1029848156.db2.gz FLMHJKXXRBTJAU-LJQANCHMSA-N 0 3 344.455 3.543 20 10 EHCDHN COc1cc(CNCc2ccc3c(c2)CCO3)cc(C(F)(F)F)c1 ZINC000527651700 1031079447 /nfs/dbraw/zinc/07/94/47/1031079447.db2.gz IWUJPRJYWWCZKJ-UHFFFAOYSA-N 0 3 337.341 3.939 20 10 EHCDHN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000109350153 1031213871 /nfs/dbraw/zinc/21/38/71/1031213871.db2.gz MVCFOBZHXNYANT-HXUWFJFHSA-N 0 3 346.430 3.732 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855948 1031956695 /nfs/dbraw/zinc/95/66/95/1031956695.db2.gz SMKAXHSFECHENJ-AZUAARDMSA-N 0 3 341.476 3.766 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855948 1031956707 /nfs/dbraw/zinc/95/67/07/1031956707.db2.gz SMKAXHSFECHENJ-AZUAARDMSA-N 0 3 341.476 3.766 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cnn(C)c1 ZINC000375786399 1034002984 /nfs/dbraw/zinc/00/29/84/1034002984.db2.gz FAXJQMXVIPWRRN-QGZVFWFLSA-N 0 3 346.478 3.834 20 10 EHCDHN COCCC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000529638669 1034330537 /nfs/dbraw/zinc/33/05/37/1034330537.db2.gz UUDFGGKFSRTNCK-UHFFFAOYSA-N 0 3 342.277 3.712 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1[O-] ZINC000761203008 1034407426 /nfs/dbraw/zinc/40/74/26/1034407426.db2.gz HRWYIEXODNCWPE-YVEFUNNKSA-N 0 3 347.842 3.878 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1[O-] ZINC000761203008 1034407439 /nfs/dbraw/zinc/40/74/39/1034407439.db2.gz HRWYIEXODNCWPE-YVEFUNNKSA-N 0 3 347.842 3.878 20 10 EHCDHN COc1ccc(C2([NH2+]Cc3cc(Cl)cc(OC)c3[O-])CC2)cc1 ZINC000761208197 1034464667 /nfs/dbraw/zinc/46/46/67/1034464667.db2.gz VUVPGRJGHMBONE-UHFFFAOYSA-N 0 3 333.815 3.842 20 10 EHCDHN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1O ZINC000179553256 1034496622 /nfs/dbraw/zinc/49/66/22/1034496622.db2.gz WKDROVIKNQISTA-UHFFFAOYSA-N 0 3 330.403 3.771 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cc(F)ccc1[O-] ZINC000185719346 1035523676 /nfs/dbraw/zinc/52/36/76/1035523676.db2.gz RGVIDPQSGZYQLM-YPMHNXCESA-N 0 3 335.810 3.509 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000157676549 1037967382 /nfs/dbraw/zinc/96/73/82/1037967382.db2.gz UJRDYRXUEYQUHQ-ZLDLUXBVSA-N 0 3 341.293 3.678 20 10 EHCDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc3c(c2)CCCN3C)o1 ZINC000058477130 1037992991 /nfs/dbraw/zinc/99/29/91/1037992991.db2.gz FUMMMDDTPMETSD-UHFFFAOYSA-N 0 3 336.439 3.650 20 10 EHCDHN C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000905741914 1039077410 /nfs/dbraw/zinc/07/74/10/1039077410.db2.gz OYNPZBCVKXCAMJ-WNYOCNMUSA-N 0 3 339.435 3.586 20 10 EHCDHN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000905741914 1039077424 /nfs/dbraw/zinc/07/74/24/1039077424.db2.gz OYNPZBCVKXCAMJ-WNYOCNMUSA-N 0 3 339.435 3.586 20 10 EHCDHN CCc1nc(C)c([C@H](C)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000151057095 1040527525 /nfs/dbraw/zinc/52/75/25/1040527525.db2.gz PLDQRSCLSKFYFF-AWEZNQCLSA-N 0 3 345.512 3.701 20 10 EHCDHN CCc1nc(C)c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000151057030 1040528041 /nfs/dbraw/zinc/52/80/41/1040528041.db2.gz PLDQRSCLSKFYFF-CQSZACIVSA-N 0 3 345.512 3.701 20 10 EHCDHN COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCCC1 ZINC000183378345 1125542468 /nfs/dbraw/zinc/54/24/68/1125542468.db2.gz SUHVTOKQPSJWRG-QFBILLFUSA-N 0 3 340.467 3.889 20 10 EHCDHN c1cnn(Cc2ccc(CNCc3ccc4c(c3)CCCO4)cc2)c1 ZINC000921504828 1127095082 /nfs/dbraw/zinc/09/50/82/1127095082.db2.gz WPNXMSQFWMYELV-UHFFFAOYSA-N 0 3 333.435 3.546 20 10 EHCDHN C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000186021234 1127235376 /nfs/dbraw/zinc/23/53/76/1127235376.db2.gz QZMDMSASBKITJL-CQSZACIVSA-N 0 3 342.414 3.551 20 10 EHCDHN Cc1cc(O)c(CN2CCN([C@H](C)c3ccsc3)CC2)cc1C ZINC000764955722 1127557158 /nfs/dbraw/zinc/55/71/58/1127557158.db2.gz QPSMXUSALKOPSV-MRXNPFEDSA-N 0 3 330.497 3.949 20 10 EHCDHN C[C@@H](NCc1nccc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000765403567 1127607810 /nfs/dbraw/zinc/60/78/10/1127607810.db2.gz ILROUSZBBLOHOJ-QGZVFWFLSA-N 0 3 347.462 3.922 20 10 EHCDHN Cc1cccnc1N1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103590 1129059466 /nfs/dbraw/zinc/05/94/66/1129059466.db2.gz GCGGAQOPKUFYGW-UHFFFAOYSA-N 0 3 339.483 3.715 20 10 EHCDHN Oc1cc2c(cc1CN(Cc1ccc(Cl)cc1)C1CC1)OCO2 ZINC000917478216 1122613405 /nfs/dbraw/zinc/61/34/05/1122613405.db2.gz SVEWSZQWDILWQR-UHFFFAOYSA-N 0 3 331.799 3.939 20 10 EHCDHN [NH3+]CCc1ccccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523438 1122703998 /nfs/dbraw/zinc/70/39/98/1122703998.db2.gz ORUBZRIHFCFTKU-UHFFFAOYSA-N 0 3 327.815 3.707 20 10 EHCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC000180079036 1123933453 /nfs/dbraw/zinc/93/34/53/1123933453.db2.gz FBHFABXIQNTCJF-UHFFFAOYSA-N 0 3 328.431 3.628 20 10 EHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(Cc2ccccc2)CC1 ZINC000180079036 1123933456 /nfs/dbraw/zinc/93/34/56/1123933456.db2.gz FBHFABXIQNTCJF-UHFFFAOYSA-N 0 3 328.431 3.628 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000180272872 1123973187 /nfs/dbraw/zinc/97/31/87/1123973187.db2.gz VNBPUUSLWKSERT-WMZOPIPTSA-N 0 3 333.403 3.993 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000180272872 1123973192 /nfs/dbraw/zinc/97/31/92/1123973192.db2.gz VNBPUUSLWKSERT-WMZOPIPTSA-N 0 3 333.403 3.993 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1C ZINC000068706696 1124003977 /nfs/dbraw/zinc/00/39/77/1124003977.db2.gz UUWYBUBXODESTN-INIZCTEOSA-N 0 3 338.451 3.981 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C)c1 ZINC000182449255 1125293551 /nfs/dbraw/zinc/29/35/51/1125293551.db2.gz IYCIXCCEAIUQFA-GFCCVEGCSA-N 0 3 348.468 3.677 20 10 EHCDHN COc1cccc([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000732230001 1130902548 /nfs/dbraw/zinc/90/25/48/1130902548.db2.gz UDYSWAMQULRAHN-QFIPXVFZSA-N 0 3 349.430 3.891 20 10 EHCDHN C[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613349 1131062007 /nfs/dbraw/zinc/06/20/07/1131062007.db2.gz OGIIOXUWWUTPGN-INIZCTEOSA-N 0 3 330.472 3.538 20 10 EHCDHN C[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613349 1131062011 /nfs/dbraw/zinc/06/20/11/1131062011.db2.gz OGIIOXUWWUTPGN-INIZCTEOSA-N 0 3 330.472 3.538 20 10 EHCDHN Cc1ccc(F)cc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001177479088 1133074368 /nfs/dbraw/zinc/07/43/68/1133074368.db2.gz DMSRFWANADAUQF-UHFFFAOYSA-N 0 3 346.421 3.524 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCc2ccccc21 ZINC000768443246 1133139580 /nfs/dbraw/zinc/13/95/80/1133139580.db2.gz BZGITQFBZFWJFW-AZUAARDMSA-N 0 3 339.435 3.718 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCc2ccccc21 ZINC000768443246 1133139582 /nfs/dbraw/zinc/13/95/82/1133139582.db2.gz BZGITQFBZFWJFW-AZUAARDMSA-N 0 3 339.435 3.718 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000768529147 1133150546 /nfs/dbraw/zinc/15/05/46/1133150546.db2.gz MBRHZGJTRWHPEV-CQSZACIVSA-N 0 3 339.863 3.908 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1[O-] ZINC000768529147 1133150547 /nfs/dbraw/zinc/15/05/47/1133150547.db2.gz MBRHZGJTRWHPEV-CQSZACIVSA-N 0 3 339.863 3.908 20 10 EHCDHN CCN(C)c1ccc(CN2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000773748762 1133177482 /nfs/dbraw/zinc/17/74/82/1133177482.db2.gz RXDMTDSBZIMQMR-UHFFFAOYSA-N 0 3 332.488 3.696 20 10 EHCDHN COc1cccc(O)c1CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000769313075 1133260085 /nfs/dbraw/zinc/26/00/85/1133260085.db2.gz SBKCLHCUNSFXKS-MRXNPFEDSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000769313075 1133260090 /nfs/dbraw/zinc/26/00/90/1133260090.db2.gz SBKCLHCUNSFXKS-MRXNPFEDSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000769313075 1133260095 /nfs/dbraw/zinc/26/00/95/1133260095.db2.gz SBKCLHCUNSFXKS-MRXNPFEDSA-N 0 3 341.407 3.509 20 10 EHCDHN COc1cccc([C@@H](C)N2CCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000769327699 1133262804 /nfs/dbraw/zinc/26/28/04/1133262804.db2.gz KRBKYWVTDFGEOR-QGZVFWFLSA-N 0 3 340.467 3.588 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402598 1133278997 /nfs/dbraw/zinc/27/89/97/1133278997.db2.gz MSFZWEYJQGCBHA-QGZVFWFLSA-N 0 3 344.886 4.000 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402598 1133279003 /nfs/dbraw/zinc/27/90/03/1133279003.db2.gz MSFZWEYJQGCBHA-QGZVFWFLSA-N 0 3 344.886 4.000 20 10 EHCDHN CCN(C)c1ccc(CN2CC[C@@H](OCc3c(C)noc3C)C2)cc1 ZINC000773843497 1133347020 /nfs/dbraw/zinc/34/70/20/1133347020.db2.gz BPJACHYXEQBBEW-LJQANCHMSA-N 0 3 343.471 3.539 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)c(C)c3)c2)CC1 ZINC000770156537 1133396332 /nfs/dbraw/zinc/39/63/32/1133396332.db2.gz WTZJCRBJZJHRDV-UHFFFAOYSA-N 0 3 341.430 3.528 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000770288869 1133405248 /nfs/dbraw/zinc/40/52/48/1133405248.db2.gz CFBXGJFVHSLHRQ-XJKSGUPXSA-N 0 3 333.453 3.550 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000770288869 1133405250 /nfs/dbraw/zinc/40/52/50/1133405250.db2.gz CFBXGJFVHSLHRQ-XJKSGUPXSA-N 0 3 333.453 3.550 20 10 EHCDHN COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000770650387 1133459723 /nfs/dbraw/zinc/45/97/23/1133459723.db2.gz BBDMRJSGNUIKCU-UHFFFAOYSA-N 0 3 347.414 3.890 20 10 EHCDHN COC(=O)c1ccc2c(c1)C[N@H+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000770650387 1133459726 /nfs/dbraw/zinc/45/97/26/1133459726.db2.gz BBDMRJSGNUIKCU-UHFFFAOYSA-N 0 3 347.414 3.890 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1F ZINC000771200298 1133519239 /nfs/dbraw/zinc/51/92/39/1133519239.db2.gz RYTHOTPQIGXTLN-OAQYLSRUSA-N 0 3 342.458 3.596 20 10 EHCDHN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001182160352 1133581010 /nfs/dbraw/zinc/58/10/10/1133581010.db2.gz ITJZINUHAZHRKU-HNNXBMFYSA-N 0 3 330.378 3.655 20 10 EHCDHN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001182160352 1133581014 /nfs/dbraw/zinc/58/10/14/1133581014.db2.gz ITJZINUHAZHRKU-HNNXBMFYSA-N 0 3 330.378 3.655 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)NCCC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000774487268 1133688768 /nfs/dbraw/zinc/68/87/68/1133688768.db2.gz YFSMMGALEKKZLY-SJORKVTESA-N 0 3 343.515 3.798 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000774487205 1133688844 /nfs/dbraw/zinc/68/88/44/1133688844.db2.gz YBOPUVNLJWRLQV-CHWSQXEVSA-N 0 3 347.409 3.709 20 10 EHCDHN CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183428590 1133805395 /nfs/dbraw/zinc/80/53/95/1133805395.db2.gz JYXACIDZXTUTEO-YJBOKZPZSA-N 0 3 329.440 3.610 20 10 EHCDHN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cccc(OC)c1O ZINC000787330834 1133989319 /nfs/dbraw/zinc/98/93/19/1133989319.db2.gz FDQXFOJYOZNHDO-INIZCTEOSA-N 0 3 335.831 3.874 20 10 EHCDHN COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001170304949 1134739676 /nfs/dbraw/zinc/73/96/76/1134739676.db2.gz IKBAWOWEGXFDRR-OLZOCXBDSA-N 0 3 330.384 3.591 20 10 EHCDHN CO[C@@]1(C)CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000793340544 1134902055 /nfs/dbraw/zinc/90/20/55/1134902055.db2.gz QJBPCWAIZGDZNN-INIZCTEOSA-N 0 3 342.277 3.854 20 10 EHCDHN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000793340544 1134902063 /nfs/dbraw/zinc/90/20/63/1134902063.db2.gz QJBPCWAIZGDZNN-INIZCTEOSA-N 0 3 342.277 3.854 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000793347074 1134902870 /nfs/dbraw/zinc/90/28/70/1134902870.db2.gz PFKNRVUXRUEVDN-MNOVXSKESA-N 0 3 328.250 3.689 20 10 EHCDHN CN1CC[C@@]2(CC[N@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C2)C1 ZINC000793768044 1134986987 /nfs/dbraw/zinc/98/69/87/1134986987.db2.gz QAENZALRUVJBHE-OAQYLSRUSA-N 0 3 340.467 3.545 20 10 EHCDHN CN1CC[C@@]2(CC[N@@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C2)C1 ZINC000793768044 1134986990 /nfs/dbraw/zinc/98/69/90/1134986990.db2.gz QAENZALRUVJBHE-OAQYLSRUSA-N 0 3 340.467 3.545 20 10 EHCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808681211 1135710813 /nfs/dbraw/zinc/71/08/13/1135710813.db2.gz WVQSKBSWLUNKEG-ZBFHGGJFSA-N 0 3 349.858 3.753 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1[O-] ZINC000808675385 1135714093 /nfs/dbraw/zinc/71/40/93/1135714093.db2.gz FJLDJGKNRPAZBH-CYBMUJFWSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808679202 1135715770 /nfs/dbraw/zinc/71/57/70/1135715770.db2.gz HGBGLBSQEHHPBY-AWEZNQCLSA-N 0 3 346.858 3.743 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)c1[O-] ZINC000808703369 1135715778 /nfs/dbraw/zinc/71/57/78/1135715778.db2.gz XGFUUWFXSULYEO-DYVFJYSZSA-N 0 3 344.842 3.810 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000808706406 1135716502 /nfs/dbraw/zinc/71/65/02/1135716502.db2.gz JLVJLBHUHOHVAA-HIFRSBDPSA-N 0 3 339.863 3.733 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c([O-])c1 ZINC000808728657 1135723712 /nfs/dbraw/zinc/72/37/12/1135723712.db2.gz QKGZGIMZQYUJMW-ZDUSSCGKSA-N 0 3 339.395 3.983 20 10 EHCDHN CCN(C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000775836247 1135796441 /nfs/dbraw/zinc/79/64/41/1135796441.db2.gz LPKPMTIYOUJCOT-IAGOWNOFSA-N 0 3 345.531 3.973 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1[O-] ZINC000809790409 1135892775 /nfs/dbraw/zinc/89/27/75/1135892775.db2.gz FISYEWGVLNQJAE-CYBMUJFWSA-N 0 3 348.240 3.729 20 10 EHCDHN CCOC(=O)CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776003199 1135916987 /nfs/dbraw/zinc/91/69/87/1135916987.db2.gz HSWOPBVMOUXWSV-MRXNPFEDSA-N 0 3 327.424 3.909 20 10 EHCDHN CCOC(=O)CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776003199 1135916989 /nfs/dbraw/zinc/91/69/89/1135916989.db2.gz HSWOPBVMOUXWSV-MRXNPFEDSA-N 0 3 327.424 3.909 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1[O-] ZINC000776252071 1136101989 /nfs/dbraw/zinc/10/19/89/1136101989.db2.gz NAVMJJDKYCSTHV-UHFFFAOYSA-N 0 3 338.879 3.529 20 10 EHCDHN CN(c1ccc(CNCc2cnc3n2CCC3)cc1)C1CCCCC1 ZINC000850095955 1136209744 /nfs/dbraw/zinc/20/97/44/1136209744.db2.gz NRNRKGNCDOWNNV-UHFFFAOYSA-N 0 3 338.499 3.888 20 10 EHCDHN COc1cc(CN[C@@H](CO)c2ccccc2C)c(O)c(C(C)(C)C)c1 ZINC000850170463 1136216650 /nfs/dbraw/zinc/21/66/50/1136216650.db2.gz KQEIONGRKZJTDW-IBGZPJMESA-N 0 3 343.467 3.830 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)COc2c(F)cccc2F)c([O-])c1 ZINC000850366578 1136242085 /nfs/dbraw/zinc/24/20/85/1136242085.db2.gz DTNXPGYERPSLEW-GFCCVEGCSA-N 0 3 337.366 3.626 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1[O-] ZINC000850481336 1136266843 /nfs/dbraw/zinc/26/68/43/1136266843.db2.gz GLWYCRPIYQXPPJ-JQWIXIFHSA-N 0 3 328.250 3.681 20 10 EHCDHN COC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850514764 1136275302 /nfs/dbraw/zinc/27/53/02/1136275302.db2.gz QHOUQHCIRGXUQP-YWZLYKJASA-N 0 3 328.456 3.800 20 10 EHCDHN CCOc1ccc(CN[C@@H]2CCc3ccccc3-n3ccnc32)c(O)c1 ZINC000853093656 1136508230 /nfs/dbraw/zinc/50/82/30/1136508230.db2.gz ILDQJMLEGRZFEU-GOSISDBHSA-N 0 3 349.434 3.754 20 10 EHCDHN C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)C(C)(C)C ZINC001134686449 1136509231 /nfs/dbraw/zinc/50/92/31/1136509231.db2.gz KPSUMGYXRMYBGR-TXPKVOOTSA-N 0 3 347.547 3.790 20 10 EHCDHN COc1cccc([C@H](C)NCc2cnccc2C(F)(F)F)c1O ZINC000853242096 1136521582 /nfs/dbraw/zinc/52/15/82/1136521582.db2.gz VSTIBHIGHSZCAP-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(OC)cc1)c1ccccc1[O-] ZINC000854223823 1136598956 /nfs/dbraw/zinc/59/89/56/1136598956.db2.gz HUBPQFDFYOKOQG-YZGWKJHDSA-N 0 3 340.467 3.587 20 10 EHCDHN C[C@@](O)(C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815577955 1136613539 /nfs/dbraw/zinc/61/35/39/1136613539.db2.gz DOWLVTFMQCVXMM-PZJWPPBQSA-N 0 3 325.452 3.817 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000815627699 1136621481 /nfs/dbraw/zinc/62/14/81/1136621481.db2.gz HDQDLHFRYJAHCW-IEBWSBKVSA-N 0 3 347.462 3.936 20 10 EHCDHN CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000815651189 1136626178 /nfs/dbraw/zinc/62/61/78/1136626178.db2.gz MMWYTKUDIPPLSU-QMTHXVAHSA-N 0 3 328.250 3.539 20 10 EHCDHN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])CCO1 ZINC000817414743 1136806873 /nfs/dbraw/zinc/80/68/73/1136806873.db2.gz JKWBBWOHHYUQHA-ZIAGYGMSSA-N 0 3 328.250 3.510 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817986358 1136855350 /nfs/dbraw/zinc/85/53/50/1136855350.db2.gz PYWYBTREZPGXNR-NEPJUHHUSA-N 0 3 328.378 3.736 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3csc(C)n3)C2)cc1 ZINC000818342948 1136872535 /nfs/dbraw/zinc/87/25/35/1136872535.db2.gz WXQGXYVDTDLELK-UKRRQHHQSA-N 0 3 331.485 3.637 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccccc3[O-])C2)cc1 ZINC000818341586 1136872749 /nfs/dbraw/zinc/87/27/49/1136872749.db2.gz BHZCIJJHLFCYJF-JKSUJKDBSA-N 0 3 326.440 3.578 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357024 1136875661 /nfs/dbraw/zinc/87/56/61/1136875661.db2.gz URFQYMBAJOUOEX-CABZTGNLSA-N 0 3 338.404 3.576 20 10 EHCDHN Cc1cccnc1[C@H](NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000115623026 1136909222 /nfs/dbraw/zinc/90/92/22/1136909222.db2.gz IVKHHYQRRUAVMR-HXUWFJFHSA-N 0 3 339.483 3.714 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858447764 1136968838 /nfs/dbraw/zinc/96/88/38/1136968838.db2.gz IQQIUDOANLYLOI-CZUORRHYSA-N 0 3 340.393 3.793 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccccc1[O-] ZINC000858476270 1136971522 /nfs/dbraw/zinc/97/15/22/1136971522.db2.gz KOKAICNPLBARLQ-RHSMWYFYSA-N 0 3 346.471 3.975 20 10 EHCDHN C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409136 1137098754 /nfs/dbraw/zinc/09/87/54/1137098754.db2.gz VMCZVMVFONNZHT-CVEARBPZSA-N 0 3 348.487 3.860 20 10 EHCDHN C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000823409136 1137098755 /nfs/dbraw/zinc/09/87/55/1137098755.db2.gz VMCZVMVFONNZHT-CVEARBPZSA-N 0 3 348.487 3.860 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1F ZINC000823736567 1137110974 /nfs/dbraw/zinc/11/09/74/1137110974.db2.gz GISPJGOQVVGKCC-UHFFFAOYSA-N 0 3 344.430 3.733 20 10 EHCDHN CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])CC1(C)C ZINC000824820820 1137153840 /nfs/dbraw/zinc/15/38/40/1137153840.db2.gz OBZQEEFZTLLYHL-AWEZNQCLSA-N 0 3 342.277 3.710 20 10 EHCDHN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])CC1(C)C ZINC000824820820 1137153842 /nfs/dbraw/zinc/15/38/42/1137153842.db2.gz OBZQEEFZTLLYHL-AWEZNQCLSA-N 0 3 342.277 3.710 20 10 EHCDHN CC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000794693382 1137234213 /nfs/dbraw/zinc/23/42/13/1137234213.db2.gz IQXDPVTYOMLWBQ-FXAWDEMLSA-N 0 3 333.472 3.594 20 10 EHCDHN CCOC(=O)N[C@@H](C[NH2+][C@H](CC)c1ccc(C)cc1[O-])CC(C)C ZINC000794794756 1137250998 /nfs/dbraw/zinc/25/09/98/1137250998.db2.gz QVISUFVHZSFRPQ-NVXWUHKLSA-N 0 3 336.476 3.902 20 10 EHCDHN CC[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(C)cc1[O-] ZINC000794810120 1137259548 /nfs/dbraw/zinc/25/95/48/1137259548.db2.gz JLIZCFGZDOIBBL-GOSISDBHSA-N 0 3 332.488 3.828 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000794830976 1137268377 /nfs/dbraw/zinc/26/83/77/1137268377.db2.gz AXNGIFQNAPVSEF-FZMZJTMJSA-N 0 3 342.277 3.665 20 10 EHCDHN CCc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000845924610 1137320646 /nfs/dbraw/zinc/32/06/46/1137320646.db2.gz MCVARQAYVWQSIC-UHFFFAOYSA-N 0 3 328.431 3.515 20 10 EHCDHN C[C@@H](NCc1cc2cnccc2o1)c1ccc(N2CCOCC2)cc1 ZINC000845927821 1137321018 /nfs/dbraw/zinc/32/10/18/1137321018.db2.gz HNMPYGZTRGAPET-OAHLLOKOSA-N 0 3 337.423 3.515 20 10 EHCDHN COc1cccc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)c1O ZINC000846051402 1137330461 /nfs/dbraw/zinc/33/04/61/1137330461.db2.gz DNUNNCCRDXXPME-OAHLLOKOSA-N 0 3 331.387 3.932 20 10 EHCDHN COC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(F)c(F)c1 ZINC000846159415 1137336985 /nfs/dbraw/zinc/33/69/85/1137336985.db2.gz OHBGBXLLGZKNPR-ZBEGNZNMSA-N 0 3 337.366 3.717 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000866404771 1137352141 /nfs/dbraw/zinc/35/21/41/1137352141.db2.gz UISDEISZNNSSDV-ZSSDLHNXSA-N 0 3 337.341 3.990 20 10 EHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)CC2 ZINC000866409159 1137352457 /nfs/dbraw/zinc/35/24/57/1137352457.db2.gz IPZAUCRXJRBLDY-HOTGVXAUSA-N 0 3 335.806 3.885 20 10 EHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171543521 1137494409 /nfs/dbraw/zinc/49/44/09/1137494409.db2.gz LCLWIGOATQMWOC-ZDUSSCGKSA-N 0 3 333.353 3.725 20 10 EHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCc3cc(F)c(F)c(F)c3C1)CC2 ZINC001171543521 1137494410 /nfs/dbraw/zinc/49/44/10/1137494410.db2.gz LCLWIGOATQMWOC-ZDUSSCGKSA-N 0 3 333.353 3.725 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000876660252 1137658491 /nfs/dbraw/zinc/65/84/91/1137658491.db2.gz ASWJIMWKOOVMHH-UHFFFAOYSA-N 0 3 342.414 3.690 20 10 EHCDHN OC1CCN(c2ccc(CNC3(c4cccc(F)c4)CC3)cc2)CC1 ZINC000877047613 1137668724 /nfs/dbraw/zinc/66/87/24/1137668724.db2.gz BRMSRKRDSPNSJY-UHFFFAOYSA-N 0 3 340.442 3.566 20 10 EHCDHN Cc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)c([O-])c1 ZINC000877485588 1137678100 /nfs/dbraw/zinc/67/81/00/1137678100.db2.gz ZYIBKVKYNWRSGM-OAHLLOKOSA-N 0 3 340.423 3.850 20 10 EHCDHN Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)c([O-])c1 ZINC000877485588 1137678101 /nfs/dbraw/zinc/67/81/01/1137678101.db2.gz ZYIBKVKYNWRSGM-OAHLLOKOSA-N 0 3 340.423 3.850 20 10 EHCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cccn(C(F)F)c1=O ZINC000877503749 1137678825 /nfs/dbraw/zinc/67/88/25/1137678825.db2.gz VOZXBPJXASKHJA-UHFFFAOYSA-N 0 3 336.382 3.751 20 10 EHCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cccn(C(F)F)c1=O ZINC000877503749 1137678826 /nfs/dbraw/zinc/67/88/26/1137678826.db2.gz VOZXBPJXASKHJA-UHFFFAOYSA-N 0 3 336.382 3.751 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000877533340 1137680245 /nfs/dbraw/zinc/68/02/45/1137680245.db2.gz MXNIZGIQCIIHKQ-MRXNPFEDSA-N 0 3 325.330 3.543 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccccc1[O-] ZINC000877757082 1137688284 /nfs/dbraw/zinc/68/82/84/1137688284.db2.gz FMPCPBSZLDDAGI-ZDUSSCGKSA-N 0 3 343.427 3.985 20 10 EHCDHN Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC000877824515 1137692184 /nfs/dbraw/zinc/69/21/84/1137692184.db2.gz IAKGTCNQNXXHMP-XIRDDKMYSA-N 0 3 346.471 3.578 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000879377831 1137745919 /nfs/dbraw/zinc/74/59/19/1137745919.db2.gz VRTBIRXTDPXFBF-ZDUSSCGKSA-N 0 3 325.412 3.840 20 10 EHCDHN CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879647650 1137753493 /nfs/dbraw/zinc/75/34/93/1137753493.db2.gz HGRNFAKNVIJJCV-QRWLVFNGSA-N 0 3 326.440 3.556 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000879650164 1137753765 /nfs/dbraw/zinc/75/37/65/1137753765.db2.gz MPFHRXHYSGNONO-MEDUHNTESA-N 0 3 336.229 3.539 20 10 EHCDHN CCCC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cc(C)on1 ZINC000879651140 1137753879 /nfs/dbraw/zinc/75/38/79/1137753879.db2.gz JTVSXPJZQHJDMP-DZGCQCFKSA-N 0 3 331.416 3.537 20 10 EHCDHN CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653078 1137753918 /nfs/dbraw/zinc/75/39/18/1137753918.db2.gz MHCAFCFHMPGDFL-XJKSGUPXSA-N 0 3 344.480 3.640 20 10 EHCDHN Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1C ZINC000879652322 1137753943 /nfs/dbraw/zinc/75/39/43/1137753943.db2.gz CERKJTNSXJFUSB-HOTGVXAUSA-N 0 3 326.440 3.537 20 10 EHCDHN CCOc1cccc(CN(Cc2ccccc2OC)C2CC2)c1O ZINC000130168029 1137834674 /nfs/dbraw/zinc/83/46/74/1137834674.db2.gz BOHJKXSNDUJWNN-UHFFFAOYSA-N 0 3 327.424 3.964 20 10 EHCDHN COc1ccc(N2CCC(NCc3ccc(SC)o3)CC2)cc1 ZINC000882959022 1137839782 /nfs/dbraw/zinc/83/97/82/1137839782.db2.gz RYKJFSDLEUIQEN-UHFFFAOYSA-N 0 3 332.469 3.769 20 10 EHCDHN COc1cc(C)ccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119805086 1137944587 /nfs/dbraw/zinc/94/45/87/1137944587.db2.gz MXNCTYLDCIMYOS-KRWDZBQOSA-N 0 3 340.467 3.691 20 10 EHCDHN O=[N+]([O-])c1ncccc1CN(Cc1ccccc1O)C1CCCC1 ZINC000886007909 1138031977 /nfs/dbraw/zinc/03/19/77/1138031977.db2.gz BTFNOZZAEDBDIT-UHFFFAOYSA-N 0 3 327.384 3.640 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000301750626 1138635695 /nfs/dbraw/zinc/63/56/95/1138635695.db2.gz JGPMEIVLFABVGP-GJZGRUSLSA-N 0 3 334.460 3.832 20 10 EHCDHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000301751203 1138636051 /nfs/dbraw/zinc/63/60/51/1138636051.db2.gz ZLIAWKRHYWAYEE-HUUCEWRRSA-N 0 3 336.476 3.982 20 10 EHCDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000178018510 1139663811 /nfs/dbraw/zinc/66/38/11/1139663811.db2.gz QZLALYBEELEEEZ-MRXNPFEDSA-N 0 3 326.488 3.816 20 10 EHCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccsc1 ZINC000178538510 1139702161 /nfs/dbraw/zinc/70/21/61/1139702161.db2.gz QPDKIHJBIJBTRR-OAHLLOKOSA-N 0 3 330.497 3.808 20 10 EHCDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000182033108 1139946294 /nfs/dbraw/zinc/94/62/94/1139946294.db2.gz AQYHUVHCQXADTK-CYBMUJFWSA-N 0 3 329.419 3.701 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1cc(F)ccc1[O-] ZINC000185614062 1140158622 /nfs/dbraw/zinc/15/86/22/1140158622.db2.gz RRDFINXCOIQGEO-ZDUSSCGKSA-N 0 3 339.414 3.996 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000186232569 1140193671 /nfs/dbraw/zinc/19/36/71/1140193671.db2.gz UISDEISZNNSSDV-MENVHETRSA-N 0 3 337.341 3.990 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000186232589 1140193927 /nfs/dbraw/zinc/19/39/27/1140193927.db2.gz UISDEISZNNSSDV-AJPKGMEUSA-N 0 3 337.341 3.990 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1[O-] ZINC000186457830 1140204820 /nfs/dbraw/zinc/20/48/20/1140204820.db2.gz QTDVEFJPVUUEPB-UHFFFAOYSA-N 0 3 346.858 3.669 20 10 EHCDHN CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187291143 1140248863 /nfs/dbraw/zinc/24/88/63/1140248863.db2.gz BHROCPAEJFRGKG-NEPJUHHUSA-N 0 3 330.266 3.522 20 10 EHCDHN COC(=O)CC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000777439278 1140276944 /nfs/dbraw/zinc/27/69/44/1140276944.db2.gz BVURQZBHCRWFQI-UHFFFAOYSA-N 0 3 325.408 3.635 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1[O-] ZINC000278709833 1032085360 /nfs/dbraw/zinc/08/53/60/1032085360.db2.gz VONABQQIUHJZDQ-MJVIPROJSA-N 0 3 328.250 3.539 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccccc1[O-] ZINC000155116338 1016172677 /nfs/dbraw/zinc/17/26/77/1016172677.db2.gz WAYWDNJCOSREKS-LJQANCHMSA-N 0 3 338.451 3.756 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCOC2)c1[O-] ZINC000275369379 1016590054 /nfs/dbraw/zinc/59/00/54/1016590054.db2.gz VISYRMABBITGCL-RYUDHWBXSA-N 0 3 328.250 3.540 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC000528398956 1032224052 /nfs/dbraw/zinc/22/40/52/1032224052.db2.gz YJXBSVNFVBIWPZ-SFHVURJKSA-N 0 3 330.472 3.538 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC000528398956 1032224066 /nfs/dbraw/zinc/22/40/66/1032224066.db2.gz YJXBSVNFVBIWPZ-SFHVURJKSA-N 0 3 330.472 3.538 20 10 EHCDHN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000078868257 1018047500 /nfs/dbraw/zinc/04/75/00/1018047500.db2.gz IGRNIMUIQOVMFF-CQSZACIVSA-N 0 3 344.455 3.629 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccccc1OCCOC)c1ccc(C)cc1[O-] ZINC000279968291 1019013638 /nfs/dbraw/zinc/01/36/38/1019013638.db2.gz CVRKARTZAZNGBF-SFHVURJKSA-N 0 3 329.440 3.967 20 10 EHCDHN COc1cc(C)cc(CNCc2ccccc2Br)c1O ZINC000894211918 1019345742 /nfs/dbraw/zinc/34/57/42/1019345742.db2.gz VZEQKFAPPWKDHU-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN COc1cc(O)c(CN(C)Cc2cccc(OC(C)C)c2)cc1OC ZINC000160497189 1019348804 /nfs/dbraw/zinc/34/88/04/1019348804.db2.gz OSQXCNIANGXQLA-UHFFFAOYSA-N 0 3 345.439 3.829 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccccc1[O-] ZINC000156313422 1021228907 /nfs/dbraw/zinc/22/89/07/1021228907.db2.gz QZOCWCOOTQTPKQ-SFHVURJKSA-N 0 3 329.440 3.967 20 10 EHCDHN COC1CCC(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000891468740 1021702800 /nfs/dbraw/zinc/70/28/00/1021702800.db2.gz XAAVVWIXRFNYJZ-KVZIAJEVSA-N 0 3 333.472 3.578 20 10 EHCDHN COC1CCC(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000891468740 1021702807 /nfs/dbraw/zinc/70/28/07/1021702807.db2.gz XAAVVWIXRFNYJZ-KVZIAJEVSA-N 0 3 333.472 3.578 20 10 EHCDHN COc1cc(C)cc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)c1O ZINC000894471764 1022355087 /nfs/dbraw/zinc/35/50/87/1022355087.db2.gz XIYYAAKJVMYRRP-CYBMUJFWSA-N 0 3 331.460 3.820 20 10 EHCDHN CCCOc1ccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c(O)c1 ZINC000277060380 1023728900 /nfs/dbraw/zinc/72/89/00/1023728900.db2.gz BRYZESOXSVVCNS-CHWSQXEVSA-N 0 3 332.448 3.663 20 10 EHCDHN Cc1noc(C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])c2ccccc2)n1 ZINC000277151952 1023885760 /nfs/dbraw/zinc/88/57/60/1023885760.db2.gz QIVJASLDWQTLRE-PXAZEXFGSA-N 0 3 341.386 3.857 20 10 EHCDHN COc1cc(Cl)cc(C[NH+]2CCC3(CCCCO3)CC2)c1[O-] ZINC000895653353 1024705257 /nfs/dbraw/zinc/70/52/57/1024705257.db2.gz GUIFIUNZLZCEHT-UHFFFAOYSA-N 0 3 325.836 3.589 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCCCCC2)cc1 ZINC000281151056 1024708228 /nfs/dbraw/zinc/70/82/28/1024708228.db2.gz AUXXZWYXBIOISF-MSOLQXFVSA-N 0 3 343.515 3.729 20 10 EHCDHN COc1ccc(C2CC2)cc1CNCc1ccc(OC)c(OC)c1O ZINC000895997816 1025050574 /nfs/dbraw/zinc/05/05/74/1025050574.db2.gz NZIQIKBFPHSHQK-UHFFFAOYSA-N 0 3 343.423 3.585 20 10 EHCDHN Cc1cc(C(=O)Nc2cccc(CN(C)C)c2)c(C)n1-c1ccccn1 ZINC000127784167 1026485182 /nfs/dbraw/zinc/48/51/82/1026485182.db2.gz YIKAXUDWCQZNQF-UHFFFAOYSA-N 0 3 348.450 3.803 20 10 EHCDHN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(N(C)C)cc3)cn2)n1 ZINC000162781102 1029451400 /nfs/dbraw/zinc/45/14/00/1029451400.db2.gz UFNOAUFGLOFWOC-KRWDZBQOSA-N 0 3 349.482 3.801 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000528003568 1031568791 /nfs/dbraw/zinc/56/87/91/1031568791.db2.gz PSGNEXOKRJVMAC-YVEFUNNKSA-N 0 3 344.842 3.832 20 10 EHCDHN Cc1cccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1O ZINC000278612894 1031647697 /nfs/dbraw/zinc/64/76/97/1031647697.db2.gz JOHOKRNIOGPFMA-UHFFFAOYSA-N 0 3 340.301 3.917 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000174373245 1033911094 /nfs/dbraw/zinc/91/10/94/1033911094.db2.gz SNHQNDKWLBZWGA-KRWDZBQOSA-N 0 3 340.467 3.651 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000174373245 1033911105 /nfs/dbraw/zinc/91/11/05/1033911105.db2.gz SNHQNDKWLBZWGA-KRWDZBQOSA-N 0 3 340.467 3.651 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1[O-] ZINC000761201907 1034421462 /nfs/dbraw/zinc/42/14/62/1034421462.db2.gz IMXJOCOJTSVKFK-HIFRSBDPSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1[O-] ZINC000761201907 1034421472 /nfs/dbraw/zinc/42/14/72/1034421472.db2.gz IMXJOCOJTSVKFK-HIFRSBDPSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(CN2CCS[C@H]3CCCC[C@H]32)c1O ZINC000761201907 1034421486 /nfs/dbraw/zinc/42/14/86/1034421486.db2.gz IMXJOCOJTSVKFK-HIFRSBDPSA-N 0 3 327.877 3.914 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[O-] ZINC000761215255 1034579813 /nfs/dbraw/zinc/57/98/13/1034579813.db2.gz HYCKNXIOBPZDFM-ZLDLUXBVSA-N 0 3 345.917 3.523 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccccc1[O-] ZINC000179885094 1034967262 /nfs/dbraw/zinc/96/72/62/1034967262.db2.gz VXUSELLVNRIRGV-NSHDSACASA-N 0 3 326.318 3.579 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000176981442 1037321513 /nfs/dbraw/zinc/32/15/13/1037321513.db2.gz HZGHLTIZQZGBGS-CYBMUJFWSA-N 0 3 328.387 3.509 20 10 EHCDHN Cc1ncccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359319 1037781473 /nfs/dbraw/zinc/78/14/73/1037781473.db2.gz KZMOKWGETLRYBJ-SFHVURJKSA-N 0 3 345.874 3.503 20 10 EHCDHN Cc1ccc(CNCc2cc3c(cc2O)OCO3)c(OC(C)(C)C)c1 ZINC000150969750 1040452485 /nfs/dbraw/zinc/45/24/85/1040452485.db2.gz QAUCIWNWEKAKIZ-UHFFFAOYSA-N 0 3 343.423 3.896 20 10 EHCDHN COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCCC1 ZINC000183378367 1125542438 /nfs/dbraw/zinc/54/24/38/1125542438.db2.gz SUHVTOKQPSJWRG-VQIMIIECSA-N 0 3 340.467 3.889 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1[O-] ZINC000183429199 1125564390 /nfs/dbraw/zinc/56/43/90/1125564390.db2.gz XYGMBSRHNGWGQI-OAHLLOKOSA-N 0 3 328.481 3.796 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1[O-] ZINC000183473856 1125577251 /nfs/dbraw/zinc/57/72/51/1125577251.db2.gz WUWVITQOSQFOLS-HNNXBMFYSA-N 0 3 347.418 3.890 20 10 EHCDHN COc1ccc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)cc1 ZINC000185312089 1126861971 /nfs/dbraw/zinc/86/19/71/1126861971.db2.gz MREURYQANGYCEG-CQSZACIVSA-N 0 3 344.430 3.860 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000185337443 1126868695 /nfs/dbraw/zinc/86/86/95/1126868695.db2.gz HEAUSTMKLIGOFU-SJLPKXTDSA-N 0 3 342.458 3.747 20 10 EHCDHN C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1cc(F)ccc1[O-] ZINC000185459104 1126904201 /nfs/dbraw/zinc/90/42/01/1126904201.db2.gz KEOHSRZJDICJCH-MEDUHNTESA-N 0 3 338.373 3.763 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c([O-])c1 ZINC000185458931 1126904365 /nfs/dbraw/zinc/90/43/65/1126904365.db2.gz CUXMJUUVUPCQRJ-CXAGYDPISA-N 0 3 334.410 3.932 20 10 EHCDHN C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccccc1[O-] ZINC000154213808 1122372982 /nfs/dbraw/zinc/37/29/82/1122372982.db2.gz YUKIHAKTPXLAPR-JTQLQIEISA-N 0 3 326.227 3.857 20 10 EHCDHN CCOc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1O ZINC000154259740 1122457046 /nfs/dbraw/zinc/45/70/46/1122457046.db2.gz NQYDTXXFHWWNBD-UHFFFAOYSA-N 0 3 342.395 3.864 20 10 EHCDHN c1cn(C[C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)cn1 ZINC000922334645 1129477093 /nfs/dbraw/zinc/47/70/93/1129477093.db2.gz DZIGXYKZJNLOGG-HXUWFJFHSA-N 0 3 333.435 3.739 20 10 EHCDHN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731870181 1130856499 /nfs/dbraw/zinc/85/64/99/1130856499.db2.gz SPSJXUWAXRHTOW-AWEZNQCLSA-N 0 3 344.480 3.758 20 10 EHCDHN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731870181 1130856505 /nfs/dbraw/zinc/85/65/05/1130856505.db2.gz SPSJXUWAXRHTOW-AWEZNQCLSA-N 0 3 344.480 3.758 20 10 EHCDHN O=C(CN(Cc1ccccc1O)C1CCCC1)Nc1ccccc1F ZINC000732204303 1130900026 /nfs/dbraw/zinc/90/00/26/1130900026.db2.gz IJGGJBBQBIUQOP-UHFFFAOYSA-N 0 3 342.414 3.915 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000732203621 1130900641 /nfs/dbraw/zinc/90/06/41/1130900641.db2.gz YYQIXEZZUBYRLG-SFHVURJKSA-N 0 3 343.467 3.561 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000732203621 1130900644 /nfs/dbraw/zinc/90/06/44/1130900644.db2.gz YYQIXEZZUBYRLG-SFHVURJKSA-N 0 3 343.467 3.561 20 10 EHCDHN CCOCC[C@@H](C)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001172431147 1131725288 /nfs/dbraw/zinc/72/52/88/1131725288.db2.gz LLKYYDRSGFOZHK-CQSZACIVSA-N 0 3 346.393 3.522 20 10 EHCDHN C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073984 1131954988 /nfs/dbraw/zinc/95/49/88/1131954988.db2.gz FSGXZMSSUFJIFF-GOEBONIOSA-N 0 3 346.471 3.538 20 10 EHCDHN C[C@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CN1C(=O)OC(C)(C)C ZINC001173073984 1131954996 /nfs/dbraw/zinc/95/49/96/1131954996.db2.gz FSGXZMSSUFJIFF-GOEBONIOSA-N 0 3 346.471 3.538 20 10 EHCDHN C[C@@H](COc1cccc(F)c1)NCc1cc(F)c(N(C)C)cc1F ZINC001177446153 1133067607 /nfs/dbraw/zinc/06/76/07/1133067607.db2.gz CNJYPHXFMLEKGU-LBPRGKRZSA-N 0 3 338.373 3.727 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000768234665 1133116362 /nfs/dbraw/zinc/11/63/62/1133116362.db2.gz MCBQFMFQQMZLQC-UHFFFAOYSA-N 0 3 349.434 3.957 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000768234665 1133116366 /nfs/dbraw/zinc/11/63/66/1133116366.db2.gz MCBQFMFQQMZLQC-UHFFFAOYSA-N 0 3 349.434 3.957 20 10 EHCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437577 1133138380 /nfs/dbraw/zinc/13/83/80/1133138380.db2.gz ADKSCGGXVBLPQK-LJQANCHMSA-N 0 3 341.451 3.748 20 10 EHCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437577 1133138382 /nfs/dbraw/zinc/13/83/82/1133138382.db2.gz ADKSCGGXVBLPQK-LJQANCHMSA-N 0 3 341.451 3.748 20 10 EHCDHN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000768442568 1133139547 /nfs/dbraw/zinc/13/95/47/1133139547.db2.gz LVDYWQPOQVTJLV-QUCCMNQESA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)cc1C ZINC000768442568 1133139550 /nfs/dbraw/zinc/13/95/50/1133139550.db2.gz LVDYWQPOQVTJLV-QUCCMNQESA-N 0 3 339.435 3.772 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1Cl)[C@@H](O)CO2 ZINC000768440881 1133139653 /nfs/dbraw/zinc/13/96/53/1133139653.db2.gz AMYCNTGKGTUIGD-AEFFLSMTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)[C@@H](O)CO2 ZINC000768440881 1133139655 /nfs/dbraw/zinc/13/96/55/1133139655.db2.gz AMYCNTGKGTUIGD-AEFFLSMTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl)[C@@H](O)CO2 ZINC000768440881 1133139657 /nfs/dbraw/zinc/13/96/57/1133139657.db2.gz AMYCNTGKGTUIGD-AEFFLSMTSA-N 0 3 345.826 3.809 20 10 EHCDHN CC(C)(C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450437 1133140225 /nfs/dbraw/zinc/14/02/25/1133140225.db2.gz JORSXVFLFARMBN-IBGZPJMESA-N 0 3 341.451 3.866 20 10 EHCDHN CC(C)(C)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450437 1133140228 /nfs/dbraw/zinc/14/02/28/1133140228.db2.gz JORSXVFLFARMBN-IBGZPJMESA-N 0 3 341.451 3.866 20 10 EHCDHN CN(C)c1cc(F)c(CNCCc2ccc(F)c(F)c2F)cc1F ZINC001178290526 1133153969 /nfs/dbraw/zinc/15/39/69/1133153969.db2.gz HZZQHFCDUTVYDK-UHFFFAOYSA-N 0 3 344.327 3.780 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000769103544 1133232130 /nfs/dbraw/zinc/23/21/30/1133232130.db2.gz YOCIQHNRGNWXBX-RISCZKNCSA-N 0 3 340.261 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000769103544 1133232136 /nfs/dbraw/zinc/23/21/36/1133232136.db2.gz YOCIQHNRGNWXBX-RISCZKNCSA-N 0 3 340.261 3.928 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769299540 1133256033 /nfs/dbraw/zinc/25/60/33/1133256033.db2.gz QYABWEJGHKQDPG-MRXNPFEDSA-N 0 3 334.460 3.614 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769299540 1133256039 /nfs/dbraw/zinc/25/60/39/1133256039.db2.gz QYABWEJGHKQDPG-MRXNPFEDSA-N 0 3 334.460 3.614 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCCCC[C@@H]2C)c1[O-] ZINC000769405258 1133278675 /nfs/dbraw/zinc/27/86/75/1133278675.db2.gz RVCOHKWPJVFQPB-NSHDSACASA-N 0 3 328.250 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCCCC[C@@H]2C)c1[O-] ZINC000769405258 1133278678 /nfs/dbraw/zinc/27/86/78/1133278678.db2.gz RVCOHKWPJVFQPB-NSHDSACASA-N 0 3 328.250 3.928 20 10 EHCDHN COc1cc(C)c(C[NH+]2CCC(OCc3ccccc3)CC2)c([O-])c1 ZINC001180271591 1133353921 /nfs/dbraw/zinc/35/39/21/1133353921.db2.gz OJCQSSLTRQTARP-UHFFFAOYSA-N 0 3 341.451 3.890 20 10 EHCDHN CCOc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000770255416 1133406631 /nfs/dbraw/zinc/40/66/31/1133406631.db2.gz IGUMCCZADXNOTA-UHFFFAOYSA-N 0 3 328.456 3.792 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770509766 1133436270 /nfs/dbraw/zinc/43/62/70/1133436270.db2.gz TUPBYFQXJQYBCS-HOCLYGCPSA-N 0 3 334.460 3.660 20 10 EHCDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770509766 1133436274 /nfs/dbraw/zinc/43/62/74/1133436274.db2.gz TUPBYFQXJQYBCS-HOCLYGCPSA-N 0 3 334.460 3.660 20 10 EHCDHN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000774485885 1133688949 /nfs/dbraw/zinc/68/89/49/1133688949.db2.gz UZZPBKXVDPTVCX-IRXDYDNUSA-N 0 3 339.483 3.845 20 10 EHCDHN C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccccc1[O-] ZINC000785570051 1133728972 /nfs/dbraw/zinc/72/89/72/1133728972.db2.gz NBMLPQRKFORGBT-CQSZACIVSA-N 0 3 330.859 3.755 20 10 EHCDHN Cc1cc(O)c(CN2CCN(c3ccc(F)cn3)CC2)cc1C(C)C ZINC000774646466 1133824380 /nfs/dbraw/zinc/82/43/80/1133824380.db2.gz BZCSJEMBMJQKSG-UHFFFAOYSA-N 0 3 343.446 3.680 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CCCO1 ZINC000787731909 1134036661 /nfs/dbraw/zinc/03/66/61/1134036661.db2.gz UDSARSQPFJTDPT-ZBFHGGJFSA-N 0 3 325.399 3.809 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CCCO1 ZINC000787731909 1134036665 /nfs/dbraw/zinc/03/66/65/1134036665.db2.gz UDSARSQPFJTDPT-ZBFHGGJFSA-N 0 3 325.399 3.809 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001203656300 1134317657 /nfs/dbraw/zinc/31/76/57/1134317657.db2.gz MCYBHVQKIPYKDX-UHFFFAOYSA-N 0 3 334.891 3.886 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001203656300 1134317663 /nfs/dbraw/zinc/31/76/63/1134317663.db2.gz MCYBHVQKIPYKDX-UHFFFAOYSA-N 0 3 334.891 3.886 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000790736007 1134459901 /nfs/dbraw/zinc/45/99/01/1134459901.db2.gz HKBMGCRQXWEZOZ-KSSFIOAISA-N 0 3 335.394 3.562 20 10 EHCDHN COc1cc(CN(Cc2ccc(N(C)C)c(F)c2)C2CC2)ccc1O ZINC000792175686 1134663616 /nfs/dbraw/zinc/66/36/16/1134663616.db2.gz WIXQUTIYELADIP-UHFFFAOYSA-N 0 3 344.430 3.771 20 10 EHCDHN COc1ccc(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000793387461 1134920508 /nfs/dbraw/zinc/92/05/08/1134920508.db2.gz FBTXILKQSUINQA-KBPBESRZSA-N 0 3 345.439 3.700 20 10 EHCDHN COc1ccc(C[NH2+]Cc2sc3nc(C)nc(C)c3c2C)c([O-])c1 ZINC000793389119 1134921964 /nfs/dbraw/zinc/92/19/64/1134921964.db2.gz WQTJRHYRPCMZJB-UHFFFAOYSA-N 0 3 343.452 3.621 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(OCC(C)C)c2)c([O-])c1 ZINC000793389143 1134922119 /nfs/dbraw/zinc/92/21/19/1134922119.db2.gz XFNGCFGSORZIGQ-UHFFFAOYSA-N 0 3 345.439 3.734 20 10 EHCDHN COc1ncc([C@H](C)NCc2ccc3c(c2)CCCN3C)cc1Cl ZINC000793524752 1134947372 /nfs/dbraw/zinc/94/73/72/1134947372.db2.gz IAWDTZMSQZMOBP-ZDUSSCGKSA-N 0 3 345.874 3.977 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccccc1[O-] ZINC000775512798 1134983420 /nfs/dbraw/zinc/98/34/20/1134983420.db2.gz MYRPTIWGGYNUEI-GUYCJALGSA-N 0 3 332.394 3.990 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(-c3ccccn3)nc2)c1 ZINC001192781318 1135054044 /nfs/dbraw/zinc/05/40/44/1135054044.db2.gz UKTGESMKVHECEK-CQSZACIVSA-N 0 3 335.407 3.709 20 10 EHCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC001130895282 1135532946 /nfs/dbraw/zinc/53/29/46/1135532946.db2.gz LODSBIAGDBYULN-LJQANCHMSA-N 0 3 339.483 3.697 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c([O-])c1 ZINC000808437489 1135667385 /nfs/dbraw/zinc/66/73/85/1135667385.db2.gz PWFCKUWWGVLTCG-OXJNMPFZSA-N 0 3 340.467 3.544 20 10 EHCDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc2c(c1)CCCN2C ZINC000808684282 1135710625 /nfs/dbraw/zinc/71/06/25/1135710625.db2.gz CFQRBHFQDMKZGI-SFHVURJKSA-N 0 3 340.442 3.994 20 10 EHCDHN CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808674352 1135714281 /nfs/dbraw/zinc/71/42/81/1135714281.db2.gz QWBFQOFSOUAPHB-LBPRGKRZSA-N 0 3 340.851 3.626 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000808706405 1135716825 /nfs/dbraw/zinc/71/68/25/1135716825.db2.gz JLVJLBHUHOHVAA-DZGCQCFKSA-N 0 3 339.863 3.733 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000808709226 1135717478 /nfs/dbraw/zinc/71/74/78/1135717478.db2.gz WAFRZTJYQQPEQR-HIFRSBDPSA-N 0 3 331.847 3.679 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)c1[O-] ZINC000808717928 1135720966 /nfs/dbraw/zinc/72/09/66/1135720966.db2.gz NHXKAUKDIUJIIL-YOEHRIQHSA-N 0 3 333.859 3.998 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1[O-] ZINC000808701757 1135726635 /nfs/dbraw/zinc/72/66/35/1135726635.db2.gz HKTFZALGNQLCQY-GXTWGEPZSA-N 0 3 349.837 3.818 20 10 EHCDHN C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775829922 1135784871 /nfs/dbraw/zinc/78/48/71/1135784871.db2.gz AXICCLLDHHGLRV-LBPRGKRZSA-N 0 3 349.837 3.834 20 10 EHCDHN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000775836253 1135796332 /nfs/dbraw/zinc/79/63/32/1135796332.db2.gz LPKPMTIYOUJCOT-IRXDYDNUSA-N 0 3 345.531 3.973 20 10 EHCDHN CC(C)Oc1ccc([C@H](C[NH2+]Cc2cc(F)ccc2[O-])N(C)C)cc1 ZINC000809774366 1135881275 /nfs/dbraw/zinc/88/12/75/1135881275.db2.gz LOAOOLADFHRYFU-IBGZPJMESA-N 0 3 346.446 3.711 20 10 EHCDHN Cc1ccc(O)c(CN2CCN(c3nccc4sccc43)CC2)c1 ZINC000809787029 1135891827 /nfs/dbraw/zinc/89/18/27/1135891827.db2.gz QYYYCWXUVKVEMY-UHFFFAOYSA-N 0 3 339.464 3.633 20 10 EHCDHN CCOCc1cc(CNCc2ccc(OCC)cc2)ccc1OC ZINC001199751154 1135926643 /nfs/dbraw/zinc/92/66/43/1135926643.db2.gz LNWCIDFGOIDDHC-UHFFFAOYSA-N 0 3 329.440 3.920 20 10 EHCDHN CCOC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000776021214 1135928186 /nfs/dbraw/zinc/92/81/86/1135928186.db2.gz YLZDGZRRTDMMKM-KRWDZBQOSA-N 0 3 343.851 3.512 20 10 EHCDHN COc1cc(CN[C@@H]2CCCc3c[nH]nc32)c(O)c(C(C)(C)C)c1 ZINC000850193492 1136218971 /nfs/dbraw/zinc/21/89/71/1136218971.db2.gz UMRZKKKQEQBFFR-MRXNPFEDSA-N 0 3 329.444 3.589 20 10 EHCDHN COC1CC(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000850480627 1136266771 /nfs/dbraw/zinc/26/67/71/1136266771.db2.gz AMBMCPXRHWBYSC-DCBWTQNWSA-N 0 3 342.277 3.929 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c1[O-] ZINC000850524526 1136277297 /nfs/dbraw/zinc/27/72/97/1136277297.db2.gz GUFBCVZSQXPFHX-YPMHNXCESA-N 0 3 340.261 3.825 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccoc2)c1[O-] ZINC000850530848 1136280075 /nfs/dbraw/zinc/28/00/75/1136280075.db2.gz FBTJDVBADHJNFW-JTQLQIEISA-N 0 3 340.217 3.650 20 10 EHCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000850568059 1136287931 /nfs/dbraw/zinc/28/79/31/1136287931.db2.gz ONAMEHMJOOXJSM-INIZCTEOSA-N 0 3 339.483 3.510 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000850580267 1136291896 /nfs/dbraw/zinc/29/18/96/1136291896.db2.gz JOZXWFIWCCIPIA-QFYYESIMSA-N 0 3 325.330 3.502 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c([O-])c1 ZINC000776497762 1136312105 /nfs/dbraw/zinc/31/21/05/1136312105.db2.gz FEEAPYNTJPQDPV-ORAYPTAESA-N 0 3 333.403 3.796 20 10 EHCDHN CC1=C(C)C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686301 1136509031 /nfs/dbraw/zinc/50/90/31/1136509031.db2.gz GZBDBDZCJRDRJC-ICSRJNTNSA-N 0 3 343.515 3.608 20 10 EHCDHN Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853522005 1136540097 /nfs/dbraw/zinc/54/00/97/1136540097.db2.gz ICMCWSYPCNWIGO-PKOBYXMFSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc(C)c1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853522005 1136540100 /nfs/dbraw/zinc/54/01/00/1136540100.db2.gz ICMCWSYPCNWIGO-PKOBYXMFSA-N 0 3 339.435 3.772 20 10 EHCDHN CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C(=O)OC)cc1 ZINC000815573973 1136617878 /nfs/dbraw/zinc/61/78/78/1136617878.db2.gz ZLITYDCXYSMRFZ-GOSISDBHSA-N 0 3 325.408 3.649 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000818342345 1136872441 /nfs/dbraw/zinc/87/24/41/1136872441.db2.gz PMDKDKLCWCAVDN-JXFKEZNVSA-N 0 3 340.467 3.968 20 10 EHCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000818358263 1136875497 /nfs/dbraw/zinc/87/54/97/1136875497.db2.gz RREZNUCSTUDVDH-BZUAXINKSA-N 0 3 346.471 3.805 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H]1CCCO1 ZINC000822739724 1137072300 /nfs/dbraw/zinc/07/23/00/1137072300.db2.gz HFJMZTGZJCRSRF-CABCVRRESA-N 0 3 344.282 3.957 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H]1CCCO1 ZINC000822739724 1137072301 /nfs/dbraw/zinc/07/23/01/1137072301.db2.gz HFJMZTGZJCRSRF-CABCVRRESA-N 0 3 344.282 3.957 20 10 EHCDHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000119073929 1137155796 /nfs/dbraw/zinc/15/57/96/1137155796.db2.gz LAAVFKDMSRUAJF-HNNXBMFYSA-N 0 3 346.421 3.961 20 10 EHCDHN CCc1cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702891 1137236067 /nfs/dbraw/zinc/23/60/67/1137236067.db2.gz KPCMZYXFKOSXTP-BTYIYWSLSA-N 0 3 347.499 3.632 20 10 EHCDHN CC[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794796240 1137250910 /nfs/dbraw/zinc/25/09/10/1137250910.db2.gz WNWLILIIORKIMQ-JZXOWHBKSA-N 0 3 334.504 3.629 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794793674 1137252983 /nfs/dbraw/zinc/25/29/83/1137252983.db2.gz ADGGFUVJKLZUHW-QGZVFWFLSA-N 0 3 332.488 3.778 20 10 EHCDHN CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794808969 1137262100 /nfs/dbraw/zinc/26/21/00/1137262100.db2.gz CZUNJSNXRJYJOH-LJQANCHMSA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1ccc(C)cc1[O-] ZINC000794827490 1137267618 /nfs/dbraw/zinc/26/76/18/1137267618.db2.gz JKGMFCRSWJMARX-RISOHXOYSA-N 0 3 343.423 3.592 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cc2cnccc2o1)C[C@H]1CCCO1 ZINC000845903666 1137319087 /nfs/dbraw/zinc/31/90/87/1137319087.db2.gz RIIWQGAWKCBUGY-QGZVFWFLSA-N 0 3 338.407 3.715 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cc2cnccc2o1)C[C@H]1CCCO1 ZINC000845903666 1137319089 /nfs/dbraw/zinc/31/90/89/1137319089.db2.gz RIIWQGAWKCBUGY-QGZVFWFLSA-N 0 3 338.407 3.715 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cnc([C@H]3CCCO3)s2)c1 ZINC000845971454 1137322367 /nfs/dbraw/zinc/32/23/67/1137322367.db2.gz KOVPYXSVUJCZRG-BDJLRTHQSA-N 0 3 334.441 3.560 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846213039 1137343525 /nfs/dbraw/zinc/34/35/25/1137343525.db2.gz BNVDYNPISYIGBB-BLLLJJGKSA-N 0 3 346.858 3.781 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCOC3)c2c1c(F)ccc2[O-] ZINC000866478563 1137358045 /nfs/dbraw/zinc/35/80/45/1137358045.db2.gz IYTRLWGTTYKYMB-YVEFUNNKSA-N 0 3 327.399 3.942 20 10 EHCDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc(O)c1[O-] ZINC001171961062 1137519445 /nfs/dbraw/zinc/51/94/45/1137519445.db2.gz PIWMRALNNIEMMM-LLVKDONJSA-N 0 3 325.330 3.837 20 10 EHCDHN CC(C)Oc1cccc(CN(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000124374536 1137589315 /nfs/dbraw/zinc/58/93/15/1137589315.db2.gz FQOATBSXAJGJLJ-UHFFFAOYSA-N 0 3 329.396 3.540 20 10 EHCDHN O=c1[nH]c2cc(CNCc3ccc(N4CCCCC4)cc3)ccc2o1 ZINC000873173403 1137592334 /nfs/dbraw/zinc/59/23/34/1137592334.db2.gz QURGQNCAVSIYQR-UHFFFAOYSA-N 0 3 337.423 3.814 20 10 EHCDHN Cc1ccc(C[NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)c([O-])c1 ZINC000877639654 1137683977 /nfs/dbraw/zinc/68/39/77/1137683977.db2.gz OAXVFCPKCBHVRI-FQEVSTJZSA-N 0 3 341.451 3.686 20 10 EHCDHN Cc1ccc(O)c(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000877653130 1137684405 /nfs/dbraw/zinc/68/44/05/1137684405.db2.gz ZMROPLANMIBSHI-UHFFFAOYSA-N 0 3 340.301 3.917 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877824938 1137692136 /nfs/dbraw/zinc/69/21/36/1137692136.db2.gz NMMOKLSTKWGRLU-XHSDSOJGSA-N 0 3 346.471 3.578 20 10 EHCDHN COc1cc(Cl)cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000877827907 1137692333 /nfs/dbraw/zinc/69/23/33/1137692333.db2.gz ZRCBRNXQGNQPFD-JTQLQIEISA-N 0 3 336.775 3.813 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878151371 1137704700 /nfs/dbraw/zinc/70/47/00/1137704700.db2.gz PQZNRYKJQXJUON-SFHVURJKSA-N 0 3 333.472 3.580 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878151371 1137704701 /nfs/dbraw/zinc/70/47/01/1137704701.db2.gz PQZNRYKJQXJUON-SFHVURJKSA-N 0 3 333.472 3.580 20 10 EHCDHN C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000879648660 1137753615 /nfs/dbraw/zinc/75/36/15/1137753615.db2.gz XZCXVARCONBQCY-OLZOCXBDSA-N 0 3 348.393 3.541 20 10 EHCDHN COC1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3[O-])cc2)CC1 ZINC000879649124 1137753701 /nfs/dbraw/zinc/75/37/01/1137753701.db2.gz ISPMATWDQJUSHG-MRXNPFEDSA-N 0 3 340.467 3.858 20 10 EHCDHN CCCC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cc(C)on1 ZINC000879651141 1137753772 /nfs/dbraw/zinc/75/37/72/1137753772.db2.gz JTVSXPJZQHJDMP-ZFWWWQNUSA-N 0 3 331.416 3.537 20 10 EHCDHN C[C@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1[O-] ZINC000879651909 1137753913 /nfs/dbraw/zinc/75/39/13/1137753913.db2.gz OUROXUPCXHTVPS-HNAYVOBHSA-N 0 3 338.451 3.627 20 10 EHCDHN Cc1nc(CCN(Cc2ccco2)Cc2ccccc2O)cs1 ZINC000128379040 1137776714 /nfs/dbraw/zinc/77/67/14/1137776714.db2.gz LWSPNFKYNXEKTB-UHFFFAOYSA-N 0 3 328.437 3.995 20 10 EHCDHN C[C@H](NCc1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124298628 1138283276 /nfs/dbraw/zinc/28/32/76/1138283276.db2.gz VMWNQKJZWTYHLQ-AWEZNQCLSA-N 0 3 332.394 3.652 20 10 EHCDHN O=C(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N1CCCCC1 ZINC000263713630 1138348101 /nfs/dbraw/zinc/34/81/01/1138348101.db2.gz UZTFDDCPMQSKPQ-UHFFFAOYSA-N 0 3 338.451 3.551 20 10 EHCDHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000301751204 1138635886 /nfs/dbraw/zinc/63/58/86/1138635886.db2.gz ZLIAWKRHYWAYEE-LSDHHAIUSA-N 0 3 336.476 3.982 20 10 EHCDHN Cc1cccc(CNC2(c3ccc(F)cc3F)CCOCC2)c1O ZINC000182672647 1139985805 /nfs/dbraw/zinc/98/58/05/1139985805.db2.gz LTYFURYMLNZXIZ-UHFFFAOYSA-N 0 3 333.378 3.774 20 10 EHCDHN CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1nccs1 ZINC000183635631 1140051090 /nfs/dbraw/zinc/05/10/90/1140051090.db2.gz GEEZAGCMEHUMLE-JSGCOSHPSA-N 0 3 333.457 3.553 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1[O-] ZINC000192038359 1140499062 /nfs/dbraw/zinc/49/90/62/1140499062.db2.gz PFVRQZFONHHGIV-LIRRHRJNSA-N 0 3 347.842 3.922 20 10 EHCDHN CCOc1ccc(O)c(CN[C@H](COC)c2ccc(Cl)cc2)c1 ZINC000193276067 1140568895 /nfs/dbraw/zinc/56/88/95/1140568895.db2.gz FLTMMGUAMVLLLI-QGZVFWFLSA-N 0 3 335.831 3.922 20 10 EHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2n1 ZINC000268849318 1141007629 /nfs/dbraw/zinc/00/76/29/1141007629.db2.gz PISZQAPQYMKBLM-KRWDZBQOSA-N 0 3 347.462 3.922 20 10 EHCDHN Cc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1N(C)C ZINC000271528547 1141389017 /nfs/dbraw/zinc/38/90/17/1141389017.db2.gz ROPQZRNSASUZPE-WNSKOXEYSA-N 0 3 330.497 3.649 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCCC1CCOCC1)C[C@@H]1CCCO1 ZINC000274212473 1141485793 /nfs/dbraw/zinc/48/57/93/1141485793.db2.gz ODBUYKSHUNGRSK-IBGZPJMESA-N 0 3 333.472 3.580 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCCC1CCOCC1)C[C@@H]1CCCO1 ZINC000274212473 1141485795 /nfs/dbraw/zinc/48/57/95/1141485795.db2.gz ODBUYKSHUNGRSK-IBGZPJMESA-N 0 3 333.472 3.580 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(CC)CC1)c1cc(Br)ccc1[O-] ZINC000038097929 522813122 /nfs/dbraw/zinc/81/31/22/522813122.db2.gz ZEMMTPRBFROHBI-OAHLLOKOSA-N 0 3 341.293 3.680 20 10 EHCDHN COc1ccc(CNCc2ccc(N(C)C)cc2)cc1Br ZINC000035012547 1014243120 /nfs/dbraw/zinc/24/31/20/1014243120.db2.gz JZPWWTSIEHFKOE-UHFFFAOYSA-N 0 3 349.272 3.814 20 10 EHCDHN Cn1cc(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000274858028 1015496273 /nfs/dbraw/zinc/49/62/73/1015496273.db2.gz AVEWOSRGDWUAIR-FQEVSTJZSA-N 0 3 335.451 3.632 20 10 EHCDHN CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccccc1[O-] ZINC000154868319 1015878191 /nfs/dbraw/zinc/87/81/91/1015878191.db2.gz VJKRXMAZIABVKJ-DLBZAZTESA-N 0 3 346.496 3.568 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(C)cc1[O-] ZINC000280078930 1020067329 /nfs/dbraw/zinc/06/73/29/1020067329.db2.gz LOOVCCOXSGVSFF-SFHVURJKSA-N 0 3 325.456 3.937 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](CCO)c1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280196151 1020162073 /nfs/dbraw/zinc/16/20/73/1020162073.db2.gz SOCBKZGWXJVOHK-MOPGFXCFSA-N 0 3 329.440 3.874 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000156841486 1020485873 /nfs/dbraw/zinc/48/58/73/1020485873.db2.gz LXCMBMDLBJDHCR-UHFFFAOYSA-N 0 3 338.499 3.770 20 10 EHCDHN COc1ccc(CN2CC(c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000894742263 1022840276 /nfs/dbraw/zinc/84/02/76/1022840276.db2.gz AVDUQLHHCKKAND-UHFFFAOYSA-N 0 3 333.815 3.662 20 10 EHCDHN COc1ccc(CNCc2sc(C)cc2Br)c(O)c1 ZINC000835050927 1023230639 /nfs/dbraw/zinc/23/06/39/1023230639.db2.gz GMGZENYEYMWSFL-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN COc1ccc(C[NH2+]Cc2sc(C)cc2Br)c([O-])c1 ZINC000835050927 1023230647 /nfs/dbraw/zinc/23/06/47/1023230647.db2.gz GMGZENYEYMWSFL-UHFFFAOYSA-N 0 3 342.258 3.823 20 10 EHCDHN CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000176169245 1023444621 /nfs/dbraw/zinc/44/46/21/1023444621.db2.gz YBQSRIUQUFAXFG-HNNXBMFYSA-N 0 3 327.424 3.709 20 10 EHCDHN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000176169245 1023444626 /nfs/dbraw/zinc/44/46/26/1023444626.db2.gz YBQSRIUQUFAXFG-HNNXBMFYSA-N 0 3 327.424 3.709 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000157919190 1033162691 /nfs/dbraw/zinc/16/26/91/1033162691.db2.gz PDMATAAOMUJRTK-UTKZUKDTSA-N 0 3 336.479 3.994 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000157919190 1033162698 /nfs/dbraw/zinc/16/26/98/1033162698.db2.gz PDMATAAOMUJRTK-UTKZUKDTSA-N 0 3 336.479 3.994 20 10 EHCDHN COc1ccc(CNC2(c3ccccc3F)CCC2)c(O)c1OC ZINC000895104993 1024425020 /nfs/dbraw/zinc/42/50/20/1024425020.db2.gz NJNLMINTUORWGB-UHFFFAOYSA-N 0 3 331.387 3.718 20 10 EHCDHN C[C@H]1COCCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC000025480320 1025076793 /nfs/dbraw/zinc/07/67/93/1025076793.db2.gz ORMRLCIZWDBZPD-NSHDSACASA-N 0 3 336.229 3.529 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C)cc1C ZINC000727830751 1025221672 /nfs/dbraw/zinc/22/16/72/1025221672.db2.gz LXPNKJKZTFFFQJ-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C)cc1C ZINC000727830751 1025221679 /nfs/dbraw/zinc/22/16/79/1025221679.db2.gz LXPNKJKZTFFFQJ-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN COCCCOc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC000285763368 1025451518 /nfs/dbraw/zinc/45/15/18/1025451518.db2.gz ZNCMZAMHEAXWIY-UHFFFAOYSA-N 0 3 329.440 3.709 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000273437287 1027424925 /nfs/dbraw/zinc/42/49/25/1027424925.db2.gz MFXWBSKPSJTHEW-ILXRZTDVSA-N 0 3 347.459 3.604 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cc(F)ccc1[O-] ZINC000273521654 1027472911 /nfs/dbraw/zinc/47/29/11/1027472911.db2.gz UONSQAWZJAIFFN-JSGCOSHPSA-N 0 3 325.449 3.627 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cc(F)ccc1[O-] ZINC000273521661 1027473723 /nfs/dbraw/zinc/47/37/23/1027473723.db2.gz UONSQAWZJAIFFN-TZMCWYRMSA-N 0 3 325.449 3.627 20 10 EHCDHN CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000321875700 1028087035 /nfs/dbraw/zinc/08/70/35/1028087035.db2.gz IJPNHUORQGDFRR-BZUAXINKSA-N 0 3 346.471 3.805 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000078890070 1028302356 /nfs/dbraw/zinc/30/23/56/1028302356.db2.gz DCWYGXRIDLMYSF-UHFFFAOYSA-N 0 3 338.499 3.818 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCCc3ccccc32)c1[O-] ZINC000761197915 1034386086 /nfs/dbraw/zinc/38/60/86/1034386086.db2.gz GPOJOGATLGQQTG-UHFFFAOYSA-N 0 3 346.858 3.597 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000185692381 1035510642 /nfs/dbraw/zinc/51/06/42/1035510642.db2.gz VAPKBUVSKDFQHW-UHFFFAOYSA-N 0 3 333.435 3.653 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000185692381 1035510648 /nfs/dbraw/zinc/51/06/48/1035510648.db2.gz VAPKBUVSKDFQHW-UHFFFAOYSA-N 0 3 333.435 3.653 20 10 EHCDHN CC(C)(C)OC(=O)N1CC=C(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000310876694 1036661234 /nfs/dbraw/zinc/66/12/34/1036661234.db2.gz QTEOTLCWQNOQHS-INIZCTEOSA-N 0 3 344.455 3.536 20 10 EHCDHN COc1ccc(O)c(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1 ZINC000179612942 1037865377 /nfs/dbraw/zinc/86/53/77/1037865377.db2.gz QUVHZERRUNXVMJ-SFHVURJKSA-N 0 3 343.423 3.755 20 10 EHCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H](C)Cc1ccsc1 ZINC000893719241 1039318842 /nfs/dbraw/zinc/31/88/42/1039318842.db2.gz JUIVMXSXFHIDKH-ZDUSSCGKSA-N 0 3 335.469 3.924 20 10 EHCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])[C@@H](C)Cc1ccsc1 ZINC000893719241 1039318863 /nfs/dbraw/zinc/31/88/63/1039318863.db2.gz JUIVMXSXFHIDKH-ZDUSSCGKSA-N 0 3 335.469 3.924 20 10 EHCDHN Cc1cccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000165197474 1042664417 /nfs/dbraw/zinc/66/44/17/1042664417.db2.gz BBMOPCSORZXAMD-MRXNPFEDSA-N 0 3 328.431 3.822 20 10 EHCDHN C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000183471266 1125572505 /nfs/dbraw/zinc/57/25/05/1125572505.db2.gz RDIZSYWQNDUYRV-AWEZNQCLSA-N 0 3 327.424 3.792 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185003458 1126732751 /nfs/dbraw/zinc/73/27/51/1126732751.db2.gz UNYLSZILVGYGLC-MRXNPFEDSA-N 0 3 342.458 3.889 20 10 EHCDHN C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cc(F)ccc1[O-] ZINC000185170129 1126801951 /nfs/dbraw/zinc/80/19/51/1126801951.db2.gz RUNYXOWSOCKBJB-CYBMUJFWSA-N 0 3 330.428 3.987 20 10 EHCDHN C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185400309 1126885827 /nfs/dbraw/zinc/88/58/27/1126885827.db2.gz MPJOOUXPRPFKSN-TZMCWYRMSA-N 0 3 338.423 3.581 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)c([O-])c1 ZINC000185458909 1126904317 /nfs/dbraw/zinc/90/43/17/1126904317.db2.gz CUXMJUUVUPCQRJ-GUYCJALGSA-N 0 3 334.410 3.932 20 10 EHCDHN C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cc(F)ccc1[O-] ZINC000186061892 1127246585 /nfs/dbraw/zinc/24/65/85/1127246585.db2.gz NZPSPFVGOGGXLN-LBPRGKRZSA-N 0 3 343.427 3.943 20 10 EHCDHN Cc1cccc(C)c1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000764582665 1127509753 /nfs/dbraw/zinc/50/97/53/1127509753.db2.gz GXAGYOUZXDUGQL-MRXNPFEDSA-N 0 3 325.456 3.659 20 10 EHCDHN COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])CCO2)cc1 ZINC001168593784 1128205444 /nfs/dbraw/zinc/20/54/44/1128205444.db2.gz FANKXVSGAONJMY-UVFQYZLESA-N 0 3 327.424 3.972 20 10 EHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H](C)C1 ZINC000282127335 1121865465 /nfs/dbraw/zinc/86/54/65/1121865465.db2.gz BFCVKGOJXZXKAU-VQIMIIECSA-N 0 3 341.451 3.971 20 10 EHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H](C)C1 ZINC000282127335 1121865473 /nfs/dbraw/zinc/86/54/73/1121865473.db2.gz BFCVKGOJXZXKAU-VQIMIIECSA-N 0 3 341.451 3.971 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)OC ZINC000154713840 1122797226 /nfs/dbraw/zinc/79/72/26/1122797226.db2.gz LFFDVJPYRBCQFF-UHFFFAOYSA-N 0 3 327.424 3.520 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)OC ZINC000154713840 1122797229 /nfs/dbraw/zinc/79/72/29/1122797229.db2.gz LFFDVJPYRBCQFF-UHFFFAOYSA-N 0 3 327.424 3.520 20 10 EHCDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccc(C#N)c1 ZINC000181529850 1124918790 /nfs/dbraw/zinc/91/87/90/1124918790.db2.gz QKGXNASDHFYORY-INIZCTEOSA-N 0 3 337.492 3.962 20 10 EHCDHN CCOCc1cc(CNCc2ccc3c(c2)C[C@@H](C)O3)ccc1OC ZINC000922702216 1129636447 /nfs/dbraw/zinc/63/64/47/1129636447.db2.gz HCUXPPAPHZIVLY-OAHLLOKOSA-N 0 3 341.451 3.845 20 10 EHCDHN CC[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000701854613 1130180631 /nfs/dbraw/zinc/18/06/31/1130180631.db2.gz DMZDVPDUCVYRHG-CZDRUDQFSA-N 0 3 346.471 3.832 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000732203620 1130900263 /nfs/dbraw/zinc/90/02/63/1130900263.db2.gz YYQIXEZZUBYRLG-GOSISDBHSA-N 0 3 343.467 3.561 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000732203620 1130900266 /nfs/dbraw/zinc/90/02/66/1130900266.db2.gz YYQIXEZZUBYRLG-GOSISDBHSA-N 0 3 343.467 3.561 20 10 EHCDHN CC(C)(C)CCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205072 1130900660 /nfs/dbraw/zinc/90/06/60/1130900660.db2.gz ZIJUIROZBIEBGT-UHFFFAOYSA-N 0 3 332.488 3.689 20 10 EHCDHN CC(C)(C)CCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205072 1130900667 /nfs/dbraw/zinc/90/06/67/1130900667.db2.gz ZIJUIROZBIEBGT-UHFFFAOYSA-N 0 3 332.488 3.689 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000733334332 1131028531 /nfs/dbraw/zinc/02/85/31/1131028531.db2.gz GYDMPZUODVOPDZ-GOSISDBHSA-N 0 3 348.849 3.939 20 10 EHCDHN CCOc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c([O-])c1 ZINC000742388268 1131714644 /nfs/dbraw/zinc/71/46/44/1131714644.db2.gz NRBUPEYJFNBJDY-UHFFFAOYSA-N 0 3 345.414 3.726 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000743869850 1131996157 /nfs/dbraw/zinc/99/61/57/1131996157.db2.gz CIGOJPKKYSKZKC-LJQANCHMSA-N 0 3 338.451 3.800 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000743869850 1131996166 /nfs/dbraw/zinc/99/61/66/1131996166.db2.gz CIGOJPKKYSKZKC-LJQANCHMSA-N 0 3 338.451 3.800 20 10 EHCDHN Cc1cc(CN[C@@]2(CO)CC[C@@H](C)c3ccccc32)ccc1N(C)C ZINC001176932041 1133011732 /nfs/dbraw/zinc/01/17/32/1133011732.db2.gz AJNXCFRKMRTYQB-OPAMFIHVSA-N 0 3 338.495 3.936 20 10 EHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C ZINC000768162571 1133103523 /nfs/dbraw/zinc/10/35/23/1133103523.db2.gz QPNIGSNUACEPDA-IBGZPJMESA-N 0 3 341.451 3.890 20 10 EHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C ZINC000768162571 1133103526 /nfs/dbraw/zinc/10/35/26/1133103526.db2.gz QPNIGSNUACEPDA-IBGZPJMESA-N 0 3 341.451 3.890 20 10 EHCDHN COc1ccc([C@@H]2CCCN2Cc2c(O)cccc2OC)c(OC)c1 ZINC000768205972 1133108146 /nfs/dbraw/zinc/10/81/46/1133108146.db2.gz CSIXAMNAFUKUGA-KRWDZBQOSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)c(OC)c1 ZINC000768205972 1133108149 /nfs/dbraw/zinc/10/81/49/1133108149.db2.gz CSIXAMNAFUKUGA-KRWDZBQOSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)c(OC)c1 ZINC000768205972 1133108153 /nfs/dbraw/zinc/10/81/53/1133108153.db2.gz CSIXAMNAFUKUGA-KRWDZBQOSA-N 0 3 343.423 3.755 20 10 EHCDHN Cc1cncc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000768196769 1133111520 /nfs/dbraw/zinc/11/15/20/1133111520.db2.gz FUGDEJASDQKGJL-SJORKVTESA-N 0 3 325.456 3.638 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c([O-])c1 ZINC000768214049 1133113379 /nfs/dbraw/zinc/11/33/79/1133113379.db2.gz GQRKJWNIQHZXSB-UHFFFAOYSA-N 0 3 341.451 3.972 20 10 EHCDHN COc1cccc(O)c1CN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000768263807 1133119413 /nfs/dbraw/zinc/11/94/13/1133119413.db2.gz VYYCYUFTCFGNMY-UHFFFAOYSA-N 0 3 341.329 3.931 20 10 EHCDHN CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463481 1133144373 /nfs/dbraw/zinc/14/43/73/1133144373.db2.gz UQBIPOIAGRJARU-PZJWPPBQSA-N 0 3 339.435 3.573 20 10 EHCDHN CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463481 1133144376 /nfs/dbraw/zinc/14/43/76/1133144376.db2.gz UQBIPOIAGRJARU-PZJWPPBQSA-N 0 3 339.435 3.573 20 10 EHCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1c1cccc(F)c1 ZINC000768466432 1133145451 /nfs/dbraw/zinc/14/54/51/1133145451.db2.gz QHRUOYPULAPVCJ-LIUKBUMOSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1c1cccc(F)c1 ZINC000768466432 1133145452 /nfs/dbraw/zinc/14/54/52/1133145452.db2.gz QHRUOYPULAPVCJ-LIUKBUMOSA-N 0 3 343.398 3.540 20 10 EHCDHN CN(C)c1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1F ZINC000769024865 1133215461 /nfs/dbraw/zinc/21/54/61/1133215461.db2.gz UDVJVPVBRSZYKN-HXUWFJFHSA-N 0 3 328.431 3.638 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([O-])c1 ZINC000769036471 1133217614 /nfs/dbraw/zinc/21/76/14/1133217614.db2.gz WUDDSUQTVKSVET-FQEVSTJZSA-N 0 3 341.451 3.972 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c([O-])c1 ZINC000769036471 1133217620 /nfs/dbraw/zinc/21/76/20/1133217620.db2.gz WUDDSUQTVKSVET-FQEVSTJZSA-N 0 3 341.451 3.972 20 10 EHCDHN CCCN(Cc1ccccc1O)Cc1c(OC)cc(OC)cc1OC ZINC000769201772 1133242820 /nfs/dbraw/zinc/24/28/20/1133242820.db2.gz YOHDDTILSNRUKL-UHFFFAOYSA-N 0 3 345.439 3.830 20 10 EHCDHN O[C@H]([C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000769380098 1133272881 /nfs/dbraw/zinc/27/28/81/1133272881.db2.gz GDXSZBUDUNIGQK-DLBZAZTESA-N 0 3 342.405 3.565 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c([O-])c1 ZINC000769498185 1133301698 /nfs/dbraw/zinc/30/16/98/1133301698.db2.gz HNTNDBOLGACYAU-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c([O-])c1 ZINC000769498185 1133301701 /nfs/dbraw/zinc/30/17/01/1133301701.db2.gz HNTNDBOLGACYAU-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c([O-])c1 ZINC000769509267 1133305019 /nfs/dbraw/zinc/30/50/19/1133305019.db2.gz JXVIJIJTZHRRRD-UHFFFAOYSA-N 0 3 339.435 3.812 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350931 1133418865 /nfs/dbraw/zinc/41/88/65/1133418865.db2.gz QRAMLNFVMSKUDN-JLTOFOAXSA-N 0 3 327.424 3.615 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350931 1133418868 /nfs/dbraw/zinc/41/88/68/1133418868.db2.gz QRAMLNFVMSKUDN-JLTOFOAXSA-N 0 3 327.424 3.615 20 10 EHCDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC001181196062 1133465234 /nfs/dbraw/zinc/46/52/34/1133465234.db2.gz HWZDVTFOHGUGBW-MJXNMMHHSA-N 0 3 327.424 3.691 20 10 EHCDHN COC(=O)c1ccc(-c2ccc(CNCc3ccccc3O)o2)cc1 ZINC000771840166 1133598631 /nfs/dbraw/zinc/59/86/31/1133598631.db2.gz MYMBIXVHBMBTPZ-UHFFFAOYSA-N 0 3 337.375 3.729 20 10 EHCDHN COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3[O-])o2)cc1 ZINC000771840166 1133598637 /nfs/dbraw/zinc/59/86/37/1133598637.db2.gz MYMBIXVHBMBTPZ-UHFFFAOYSA-N 0 3 337.375 3.729 20 10 EHCDHN CN1CCN(c2ccc(CNc3cccc4ccncc43)cc2)CC1 ZINC000771854333 1133607723 /nfs/dbraw/zinc/60/77/23/1133607723.db2.gz MVPGTDNDTGRION-UHFFFAOYSA-N 0 3 332.451 3.599 20 10 EHCDHN CCN(C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000774485880 1133688718 /nfs/dbraw/zinc/68/87/18/1133688718.db2.gz UZZPBKXVDPTVCX-IAGOWNOFSA-N 0 3 339.483 3.845 20 10 EHCDHN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774487328 1133688980 /nfs/dbraw/zinc/68/89/80/1133688980.db2.gz ZFAWFUDJHPHCSJ-GJZGRUSLSA-N 0 3 343.446 3.878 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429317 1133940246 /nfs/dbraw/zinc/94/02/46/1133940246.db2.gz WCZCGRVEHTYCIE-OXJNMPFZSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c([O-])c1 ZINC001184429317 1133940250 /nfs/dbraw/zinc/94/02/50/1133940250.db2.gz WCZCGRVEHTYCIE-OXJNMPFZSA-N 0 3 346.471 3.580 20 10 EHCDHN C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000789767234 1134328776 /nfs/dbraw/zinc/32/87/76/1134328776.db2.gz GFMGXWPZKVVCMZ-CYBMUJFWSA-N 0 3 344.386 3.681 20 10 EHCDHN C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000789767234 1134328783 /nfs/dbraw/zinc/32/87/83/1134328783.db2.gz GFMGXWPZKVVCMZ-CYBMUJFWSA-N 0 3 344.386 3.681 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1[O-] ZINC000789865687 1134342154 /nfs/dbraw/zinc/34/21/54/1134342154.db2.gz FGQCZYCEGUWBOH-AATRIKPKSA-N 0 3 340.851 3.525 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(OCC3CC3)cc2)cc1F ZINC000790962824 1134486341 /nfs/dbraw/zinc/48/63/41/1134486341.db2.gz UEUYNQMGOOVBAC-UHFFFAOYSA-N 0 3 328.431 3.970 20 10 EHCDHN COC1(C)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793065538 1134845581 /nfs/dbraw/zinc/84/55/81/1134845581.db2.gz MYFAOXXCKZMNPL-UHFFFAOYSA-N 0 3 330.394 3.772 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775498759 1134964883 /nfs/dbraw/zinc/96/48/83/1134964883.db2.gz NPJSKZHYHZFVSV-HNAYVOBHSA-N 0 3 326.440 3.720 20 10 EHCDHN CN(C)c1ccc(CN2CC[C@]3(C2)CCCOC3)c(C(F)(F)F)c1 ZINC000793620877 1134974133 /nfs/dbraw/zinc/97/41/33/1134974133.db2.gz RTYWJFHBJMEFNL-KRWDZBQOSA-N 0 3 342.405 3.774 20 10 EHCDHN CCOc1ccc(N2CCN(CCCSCC(C)C)CC2)cc1 ZINC001192412958 1135016405 /nfs/dbraw/zinc/01/64/05/1135016405.db2.gz MOQCIPSURGPUJV-UHFFFAOYSA-N 0 3 336.545 3.987 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]CCC2(F)CCC2)c1[O-] ZINC000808426302 1135659608 /nfs/dbraw/zinc/65/96/08/1135659608.db2.gz BFYYELCPWLXOTR-UHFFFAOYSA-N 0 3 332.213 3.535 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)c1[O-] ZINC000808683832 1135710561 /nfs/dbraw/zinc/71/05/61/1135710561.db2.gz KDNRDDGSBHEEEP-UWVGGRQHSA-N 0 3 325.758 3.972 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c1[O-] ZINC000808672668 1135714445 /nfs/dbraw/zinc/71/44/45/1135714445.db2.gz QWAXWVCLFZRPFF-LBPRGKRZSA-N 0 3 333.815 3.976 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOCC(F)(F)F)c1[O-] ZINC000808675656 1135714612 /nfs/dbraw/zinc/71/46/12/1135714612.db2.gz ORUGQWAWLYHFSD-SNVBAGLBSA-N 0 3 325.758 3.974 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000808706379 1135716384 /nfs/dbraw/zinc/71/63/84/1135716384.db2.gz IMTKJXWKVXLHTG-AMXDTQDGSA-N 0 3 337.872 3.942 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000808706380 1135716582 /nfs/dbraw/zinc/71/65/82/1135716582.db2.gz IMTKJXWKVXLHTG-IPQOISQHSA-N 0 3 337.872 3.942 20 10 EHCDHN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775833643 1135794204 /nfs/dbraw/zinc/79/42/04/1135794204.db2.gz FWPLSPYBKDOSNJ-INIZCTEOSA-N 0 3 325.456 3.659 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809757809 1135887518 /nfs/dbraw/zinc/88/75/18/1135887518.db2.gz YHNDPTNKJWFIJV-MRXNPFEDSA-N 0 3 326.223 3.912 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000776015854 1135921250 /nfs/dbraw/zinc/92/12/50/1135921250.db2.gz YAOUIWHCPNNHBG-NRFANRHFSA-N 0 3 339.435 3.812 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000776015854 1135921253 /nfs/dbraw/zinc/92/12/53/1135921253.db2.gz YAOUIWHCPNNHBG-NRFANRHFSA-N 0 3 339.435 3.812 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000850344199 1136238014 /nfs/dbraw/zinc/23/80/14/1136238014.db2.gz DIFQSECLDBYHEE-AWEZNQCLSA-N 0 3 346.858 3.670 20 10 EHCDHN COC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000850361621 1136241526 /nfs/dbraw/zinc/24/15/26/1136241526.db2.gz ABHWSZKDCCDPQQ-BXKJMJEDSA-N 0 3 340.467 3.752 20 10 EHCDHN COc1cccc([C@@H](C)NC[C@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850505185 1136273289 /nfs/dbraw/zinc/27/32/89/1136273289.db2.gz OUPGNFPTXJEDRZ-ABAIWWIYSA-N 0 3 347.377 3.942 20 10 EHCDHN C[C@@H]([NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1(CO)CC1 ZINC000850515152 1136275270 /nfs/dbraw/zinc/27/52/70/1136275270.db2.gz IWQOOIKOCHURNC-VQIMIIECSA-N 0 3 325.452 3.817 20 10 EHCDHN COc1ccccc1[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850565149 1136287125 /nfs/dbraw/zinc/28/71/25/1136287125.db2.gz BMMXTZFVWUYBBC-INIZCTEOSA-N 0 3 340.467 3.507 20 10 EHCDHN COc1cccc([C@H](C)NCc2cccc3c2OC(F)(F)O3)c1O ZINC000850573663 1136289669 /nfs/dbraw/zinc/28/96/69/1136289669.db2.gz PDEOIXOLXAXMRG-JTQLQIEISA-N 0 3 337.322 3.573 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)c1ccccc1[O-] ZINC000850579101 1136291852 /nfs/dbraw/zinc/29/18/52/1136291852.db2.gz RTBYGAGKDMDRFK-QFBILLFUSA-N 0 3 341.451 3.939 20 10 EHCDHN CC1=CC[C@](C)(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001134686600 1136509020 /nfs/dbraw/zinc/50/90/20/1136509020.db2.gz PLZSEBXIWXEYRN-FPOVZHCZSA-N 0 3 343.515 3.608 20 10 EHCDHN COC(=O)c1occc1CN(Cc1ccccc1O)C1CCCC1 ZINC000111245076 1136527209 /nfs/dbraw/zinc/52/72/09/1136527209.db2.gz UBFNMKHTCUZGRY-UHFFFAOYSA-N 0 3 329.396 3.717 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815123085 1136553073 /nfs/dbraw/zinc/55/30/73/1136553073.db2.gz VZHHHYRHXKNCHW-AWEZNQCLSA-N 0 3 332.241 3.802 20 10 EHCDHN CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815618478 1136619572 /nfs/dbraw/zinc/61/95/72/1136619572.db2.gz MQFFVIHJAVNTBA-YSIASYRMSA-N 0 3 325.452 3.815 20 10 EHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000815618824 1136620059 /nfs/dbraw/zinc/62/00/59/1136620059.db2.gz VOIJSULAIVJJLW-AZUAARDMSA-N 0 3 347.462 3.867 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])[C@H]1n1cccn1 ZINC000815661082 1136623418 /nfs/dbraw/zinc/62/34/18/1136623418.db2.gz SCZMCVDYAMQTRG-VJUNAUMWSA-N 0 3 349.862 3.620 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000776864781 1136749028 /nfs/dbraw/zinc/74/90/28/1136749028.db2.gz MHLNJCWDTZUSJY-HLLBOEOZSA-N 0 3 334.460 3.690 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000858547349 1136977732 /nfs/dbraw/zinc/97/77/32/1136977732.db2.gz KJCUWEOPTACMSX-PSOPSSQASA-N 0 3 340.261 3.681 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@H]1CCCO1 ZINC000822739731 1137072619 /nfs/dbraw/zinc/07/26/19/1137072619.db2.gz HFJMZTGZJCRSRF-LSDHHAIUSA-N 0 3 344.282 3.957 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@H]1CCCO1 ZINC000822739731 1137072621 /nfs/dbraw/zinc/07/26/21/1137072621.db2.gz HFJMZTGZJCRSRF-LSDHHAIUSA-N 0 3 344.282 3.957 20 10 EHCDHN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824554849 1137142584 /nfs/dbraw/zinc/14/25/84/1137142584.db2.gz NWEUAAINWYTWOD-LBPRGKRZSA-N 0 3 325.758 3.801 20 10 EHCDHN CCC[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824649621 1137145965 /nfs/dbraw/zinc/14/59/65/1137145965.db2.gz GHHKXZPEWDCJSA-FQEVSTJZSA-N 0 3 341.451 3.972 20 10 EHCDHN CCC[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1[O-] ZINC000824649621 1137145967 /nfs/dbraw/zinc/14/59/67/1137145967.db2.gz GHHKXZPEWDCJSA-FQEVSTJZSA-N 0 3 341.451 3.972 20 10 EHCDHN COc1ccc([C@@H]2CC[N@H+](Cc3c([O-])cccc3OC)C2)cc1F ZINC000862540519 1137149190 /nfs/dbraw/zinc/14/91/90/1137149190.db2.gz FFGSQQRIGJVRFH-CQSZACIVSA-N 0 3 331.387 3.538 20 10 EHCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3OC)C2)cc1F ZINC000862540519 1137149191 /nfs/dbraw/zinc/14/91/91/1137149191.db2.gz FFGSQQRIGJVRFH-CQSZACIVSA-N 0 3 331.387 3.538 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccc(NC(=O)COC)c1)c1ccc(C)cc1[O-] ZINC000794791917 1137252309 /nfs/dbraw/zinc/25/23/09/1137252309.db2.gz KAYWEVVDUHTQNH-SFHVURJKSA-N 0 3 342.439 3.526 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(C)cc1[O-] ZINC000794808494 1137257455 /nfs/dbraw/zinc/25/74/55/1137257455.db2.gz ODTRSDTUTAEEFD-CTNGQTDRSA-N 0 3 325.452 3.965 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(C)cc1[O-] ZINC000794808745 1137259258 /nfs/dbraw/zinc/25/92/58/1137259258.db2.gz BXGGUGSINPFQCC-AEFFLSMTSA-N 0 3 330.472 3.532 20 10 EHCDHN CC[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000794813075 1137262207 /nfs/dbraw/zinc/26/22/07/1137262207.db2.gz BJACHALFHXKMFT-INIZCTEOSA-N 0 3 334.460 3.608 20 10 EHCDHN COc1ccc(OC)c([C@H]2CCCN2Cc2cccc(OC)c2O)c1 ZINC000120631550 1137294905 /nfs/dbraw/zinc/29/49/05/1137294905.db2.gz HCANEHQWXDBMRX-QGZVFWFLSA-N 0 3 343.423 3.755 20 10 EHCDHN CCOc1ccc(O)c(CNCc2ccc(OC(F)F)cc2F)c1 ZINC000865787433 1137311894 /nfs/dbraw/zinc/31/18/94/1137311894.db2.gz RFMIJBICFLAGRH-UHFFFAOYSA-N 0 3 341.329 3.821 20 10 EHCDHN CN(C)c1ccc(/C=C\CN2CCN(C)C[C@H]2Cc2ccccc2)cc1 ZINC000846066937 1137332562 /nfs/dbraw/zinc/33/25/62/1137332562.db2.gz JPZODFYKXWINLP-BDYZRQCESA-N 0 3 349.522 3.625 20 10 EHCDHN COc1cccc([C@@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2F)c1O ZINC000846148446 1137336121 /nfs/dbraw/zinc/33/61/21/1137336121.db2.gz ZNSNFBSRJBYXFO-NEPJUHHUSA-N 0 3 349.402 3.969 20 10 EHCDHN COc1cccc([C@H](C)NCc2cc(Cl)cc3c2OCC3)c1O ZINC000846162020 1137336852 /nfs/dbraw/zinc/33/68/52/1137336852.db2.gz FFUWSJYKBJSDBJ-NSHDSACASA-N 0 3 333.815 3.840 20 10 EHCDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c2c1c(F)ccc2[O-] ZINC000846201584 1137341533 /nfs/dbraw/zinc/34/15/33/1137341533.db2.gz NOBDCGGNMCRJMY-QUCGAITQSA-N 0 3 342.414 3.985 20 10 EHCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(N(C)C)cc2C)c1 ZINC000122650957 1137457403 /nfs/dbraw/zinc/45/74/03/1137457403.db2.gz VGWXPXASGCVLDA-HNNXBMFYSA-N 0 3 325.456 3.870 20 10 EHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)c(OC)c1 ZINC000122781672 1137467242 /nfs/dbraw/zinc/46/72/42/1137467242.db2.gz DLLFGGVLVYYFKD-OAHLLOKOSA-N 0 3 328.456 3.929 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4CSC[C@H]4C3)c2c1 ZINC000872721608 1137583237 /nfs/dbraw/zinc/58/32/37/1137583237.db2.gz ICHNTYVGHYBICH-LSDHHAIUSA-N 0 3 329.465 3.739 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4CSC[C@H]4C3)c2c1 ZINC000872721608 1137583238 /nfs/dbraw/zinc/58/32/38/1137583238.db2.gz ICHNTYVGHYBICH-LSDHHAIUSA-N 0 3 329.465 3.739 20 10 EHCDHN COc1ccc(CN[C@H](C)c2ccsc2)cc1Cn1cccn1 ZINC000873122485 1137590597 /nfs/dbraw/zinc/59/05/97/1137590597.db2.gz SMSUCVITARPMAK-CQSZACIVSA-N 0 3 327.453 3.852 20 10 EHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c([O-])c1 ZINC000876972839 1137666677 /nfs/dbraw/zinc/66/66/77/1137666677.db2.gz PWYAADTUXYKKMP-AWEZNQCLSA-N 0 3 326.396 3.508 20 10 EHCDHN COc1ccc(C2([NH2+]Cc3ccc(C)cc3[O-])CCOCC2)cc1 ZINC000877042039 1137668479 /nfs/dbraw/zinc/66/84/79/1137668479.db2.gz KYSZDABRJMUFTH-UHFFFAOYSA-N 0 3 327.424 3.505 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)c([O-])c1 ZINC000877056111 1137668868 /nfs/dbraw/zinc/66/88/68/1137668868.db2.gz YPPVDBRTOFLTKJ-QFBILLFUSA-N 0 3 330.497 3.935 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000877460195 1137676957 /nfs/dbraw/zinc/67/69/57/1137676957.db2.gz RLXLYIJGNPNCBP-OAHLLOKOSA-N 0 3 334.460 3.580 20 10 EHCDHN Cc1ccc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000877540929 1137680421 /nfs/dbraw/zinc/68/04/21/1137680421.db2.gz BSDKIHLIXWCVNU-UHFFFAOYSA-N 0 3 346.471 3.676 20 10 EHCDHN Cc1ccc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([O-])c1 ZINC000877540929 1137680422 /nfs/dbraw/zinc/68/04/22/1137680422.db2.gz BSDKIHLIXWCVNU-UHFFFAOYSA-N 0 3 346.471 3.676 20 10 EHCDHN Cc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000877617018 1137683226 /nfs/dbraw/zinc/68/32/26/1137683226.db2.gz QQOQUGNOOGGTAS-ZBFHGGJFSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000877617018 1137683227 /nfs/dbraw/zinc/68/32/27/1137683227.db2.gz QQOQUGNOOGGTAS-ZBFHGGJFSA-N 0 3 334.460 3.578 20 10 EHCDHN Cc1cc(C)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000878357705 1137712421 /nfs/dbraw/zinc/71/24/21/1137712421.db2.gz FSHLCVWDBULYEX-KRWDZBQOSA-N 0 3 339.483 3.694 20 10 EHCDHN C[C@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1[O-] ZINC000879651592 1137753869 /nfs/dbraw/zinc/75/38/69/1137753869.db2.gz CMQCIXJWOKNPJQ-LBPRGKRZSA-N 0 3 329.425 3.787 20 10 EHCDHN COc1cccc(CN(Cc2cccs2)C[C@H]2CCCO2)c1O ZINC000120540757 1137950762 /nfs/dbraw/zinc/95/07/62/1137950762.db2.gz ANJAJSDKSYYTRO-OAHLLOKOSA-N 0 3 333.453 3.644 20 10 EHCDHN COc1cc(F)cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000090972015 1138214640 /nfs/dbraw/zinc/21/46/40/1138214640.db2.gz LPOMINWMNLCUMN-OAHLLOKOSA-N 0 3 344.430 3.522 20 10 EHCDHN COc1cccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1O ZINC000093594374 1138238844 /nfs/dbraw/zinc/23/88/44/1138238844.db2.gz WKLFKNKACUHYQW-OAHLLOKOSA-N 0 3 343.398 3.635 20 10 EHCDHN COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183551148 1140045641 /nfs/dbraw/zinc/04/56/41/1140045641.db2.gz KYLHKEVYAUUGMZ-MRXNPFEDSA-N 0 3 329.440 3.967 20 10 EHCDHN CCCOc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c([O-])c1 ZINC000185637148 1140160043 /nfs/dbraw/zinc/16/00/43/1140160043.db2.gz BIYYKEGZWDHPAK-UHFFFAOYSA-N 0 3 341.451 3.665 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000186526329 1140208755 /nfs/dbraw/zinc/20/87/55/1140208755.db2.gz RVZNCSXPQNXIEC-CQSZACIVSA-N 0 3 326.396 3.508 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O)c1ccccc1[O-] ZINC000189079210 1140319763 /nfs/dbraw/zinc/31/97/63/1140319763.db2.gz GQNKNLNULWGQTB-RBUKOAKNSA-N 0 3 338.451 3.542 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271200881 1141323576 /nfs/dbraw/zinc/32/35/76/1141323576.db2.gz FNRJPHUNAFALEZ-AWEZNQCLSA-N 0 3 337.423 3.752 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271200881 1141323583 /nfs/dbraw/zinc/32/35/83/1141323583.db2.gz FNRJPHUNAFALEZ-AWEZNQCLSA-N 0 3 337.423 3.752 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271200881 1141323590 /nfs/dbraw/zinc/32/35/90/1141323590.db2.gz FNRJPHUNAFALEZ-AWEZNQCLSA-N 0 3 337.423 3.752 20 10 EHCDHN CN(C)c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000020146117 212105836 /nfs/dbraw/zinc/10/58/36/212105836.db2.gz XQUHYDKEEDWKNT-UHFFFAOYSA-N 0 3 325.275 3.866 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)CCN(C)C)c1cc(Br)ccc1[O-] ZINC000049553243 1014354812 /nfs/dbraw/zinc/35/48/12/1014354812.db2.gz ZRDCLAWAGDAZPY-RISCZKNCSA-N 0 3 329.282 3.536 20 10 EHCDHN COc1ccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1C ZINC000120316997 1014964659 /nfs/dbraw/zinc/96/46/59/1014964659.db2.gz HHSUXYIFMZFQIC-OAHLLOKOSA-N 0 3 340.423 3.811 20 10 EHCDHN COc1cc(C)cc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000894882985 1021628854 /nfs/dbraw/zinc/62/88/54/1021628854.db2.gz HFAZUIMTQUUIPN-INIZCTEOSA-N 0 3 335.831 3.528 20 10 EHCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000126656999 1022237113 /nfs/dbraw/zinc/23/71/13/1022237113.db2.gz VEUZHNWKCMCVLN-OAHLLOKOSA-N 0 3 337.467 3.878 20 10 EHCDHN COc1ccc(CN2CC[C@H](C(F)(F)F)C[C@H]2C)c(O)c1OC ZINC000894706936 1022777889 /nfs/dbraw/zinc/77/78/89/1022777889.db2.gz IWGKLUFUSADKFL-PWSUYJOCSA-N 0 3 333.350 3.572 20 10 EHCDHN [O-]c1c(Cl)cc(Cl)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197797 1033101161 /nfs/dbraw/zinc/10/11/61/1033101161.db2.gz HNORQXHMHIBUGJ-OAHLLOKOSA-N 0 3 329.271 3.663 20 10 EHCDHN CC[C@H](NCc1cc(OC)c(OC)cc1O)c1cc(F)ccc1OC ZINC000896688683 1025852968 /nfs/dbraw/zinc/85/29/68/1025852968.db2.gz QHTXKRPLODALOM-HNNXBMFYSA-N 0 3 349.402 3.798 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000728561853 1029644765 /nfs/dbraw/zinc/64/47/65/1029644765.db2.gz BPIXTMIHXUQLFV-GOSISDBHSA-N 0 3 325.408 3.706 20 10 EHCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000728561853 1029644769 /nfs/dbraw/zinc/64/47/69/1029644769.db2.gz BPIXTMIHXUQLFV-GOSISDBHSA-N 0 3 325.408 3.706 20 10 EHCDHN Cc1ccc(O)c(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160197814 1030596605 /nfs/dbraw/zinc/59/66/05/1030596605.db2.gz MOWPYCVMCSHHGO-SFHVURJKSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1ccc(O)c(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160197814 1030596616 /nfs/dbraw/zinc/59/66/16/1030596616.db2.gz MOWPYCVMCSHHGO-SFHVURJKSA-N 0 3 327.424 3.587 20 10 EHCDHN COc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000378397541 1038580712 /nfs/dbraw/zinc/58/07/12/1038580712.db2.gz BHYRWGVJSUVTAM-KBXCAEBGSA-N 0 3 326.440 3.936 20 10 EHCDHN CCC[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1[O-] ZINC000728927534 1039489805 /nfs/dbraw/zinc/48/98/05/1039489805.db2.gz SMMALYXUHMTOSJ-UHFFFAOYSA-N 0 3 330.403 3.772 20 10 EHCDHN CCC[N@@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1[O-] ZINC000728927534 1039489809 /nfs/dbraw/zinc/48/98/09/1039489809.db2.gz SMMALYXUHMTOSJ-UHFFFAOYSA-N 0 3 330.403 3.772 20 10 EHCDHN COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000150993217 1040471236 /nfs/dbraw/zinc/47/12/36/1040471236.db2.gz HVKYDJVHZACZHA-OAHLLOKOSA-N 0 3 344.430 3.522 20 10 EHCDHN Cc1ccn(-c2ccccc2CNCc2ccc3c(c2)CCCO3)n1 ZINC000921862528 1128854074 /nfs/dbraw/zinc/85/40/74/1128854074.db2.gz RXCRMFSNYQFWMN-UHFFFAOYSA-N 0 3 333.435 3.796 20 10 EHCDHN Cn1cc(CNCc2ccc3c(c2)CCCO3)c(-c2ccccc2)n1 ZINC000921984839 1129001856 /nfs/dbraw/zinc/00/18/56/1129001856.db2.gz KNYXBKCKIQNIRT-UHFFFAOYSA-N 0 3 333.435 3.702 20 10 EHCDHN CO[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C)C1 ZINC000282127331 1121866066 /nfs/dbraw/zinc/86/60/66/1121866066.db2.gz BFCVKGOJXZXKAU-LPHOPBHVSA-N 0 3 341.451 3.971 20 10 EHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C)C1 ZINC000282127331 1121866070 /nfs/dbraw/zinc/86/60/70/1121866070.db2.gz BFCVKGOJXZXKAU-LPHOPBHVSA-N 0 3 341.451 3.971 20 10 EHCDHN COC(=O)c1oc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1C ZINC000917074918 1122471909 /nfs/dbraw/zinc/47/19/09/1122471909.db2.gz LSPIVRRGUPZPMO-UHFFFAOYSA-N 0 3 344.455 3.851 20 10 EHCDHN COc1ccc(O)c(CN2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000180015225 1123924509 /nfs/dbraw/zinc/92/45/09/1123924509.db2.gz IQCBKXUHZCMENY-KRWDZBQOSA-N 0 3 341.407 3.509 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000180639403 1124041565 /nfs/dbraw/zinc/04/15/65/1124041565.db2.gz OARVVFBTHGRAKO-UHFFFAOYSA-N 0 3 326.371 3.638 20 10 EHCDHN CCCN(CC(=O)NCc1ccc(CC)s1)Cc1ccccc1O ZINC000727830681 1130597125 /nfs/dbraw/zinc/59/71/25/1130597125.db2.gz GTFMCZAGSCJZAO-UHFFFAOYSA-N 0 3 346.496 3.545 20 10 EHCDHN C[C@@H]1SCCN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccccc1 ZINC000738259155 1131464959 /nfs/dbraw/zinc/46/49/59/1131464959.db2.gz SVYJEHFQQUDBNT-ORAYPTAESA-N 0 3 343.448 3.800 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000742379850 1131718194 /nfs/dbraw/zinc/71/81/94/1131718194.db2.gz BMJYLZVGGKDZNJ-UHFFFAOYSA-N 0 3 330.815 3.868 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001173052126 1131943750 /nfs/dbraw/zinc/94/37/50/1131943750.db2.gz CQRUZGFJVMGCOI-ZNMIVQPWSA-N 0 3 334.460 3.831 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000743870506 1131995415 /nfs/dbraw/zinc/99/54/15/1131995415.db2.gz VBOGVCPSCPVLRC-AWEZNQCLSA-N 0 3 330.403 3.771 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000743870312 1131995850 /nfs/dbraw/zinc/99/58/50/1131995850.db2.gz PQCBSUCZKOTDOB-QGZVFWFLSA-N 0 3 340.467 3.618 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000743870312 1131995856 /nfs/dbraw/zinc/99/58/56/1131995856.db2.gz PQCBSUCZKOTDOB-QGZVFWFLSA-N 0 3 340.467 3.618 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2nc3ccccc3s2)c([O-])c1 ZINC000746405241 1132512462 /nfs/dbraw/zinc/51/24/62/1132512462.db2.gz OPWFJVXYYXWGPX-UHFFFAOYSA-N 0 3 328.437 3.733 20 10 EHCDHN C[C@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000766530752 1132598686 /nfs/dbraw/zinc/59/86/86/1132598686.db2.gz VTDUKZOLNUCGCE-NSHDSACASA-N 0 3 336.785 3.780 20 10 EHCDHN CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000103173121 1132731277 /nfs/dbraw/zinc/73/12/77/1132731277.db2.gz LIHSDXFYAUDARF-UHFFFAOYSA-N 0 3 346.421 3.826 20 10 EHCDHN COc1cccc(O)c1CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000768925957 1133205103 /nfs/dbraw/zinc/20/51/03/1133205103.db2.gz JOIVVZDFWULVCR-UHFFFAOYSA-N 0 3 339.435 3.804 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000769103533 1133232859 /nfs/dbraw/zinc/23/28/59/1133232859.db2.gz YOCIQHNRGNWXBX-BXUZGUMPSA-N 0 3 340.261 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000769103533 1133232865 /nfs/dbraw/zinc/23/28/65/1133232865.db2.gz YOCIQHNRGNWXBX-BXUZGUMPSA-N 0 3 340.261 3.928 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773812625 1133243998 /nfs/dbraw/zinc/24/39/98/1133243998.db2.gz RNGDFMQTRDOSBE-WNSKOXEYSA-N 0 3 330.497 3.731 20 10 EHCDHN Cc1scc(CNCc2ccc(N3CCN(C)CC3)c(F)c2)c1C ZINC001179333396 1133244918 /nfs/dbraw/zinc/24/49/18/1133244918.db2.gz VZCUPSDUHYMIAH-UHFFFAOYSA-N 0 3 347.503 3.546 20 10 EHCDHN CCOC(=O)N(C)C1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000769308497 1133258757 /nfs/dbraw/zinc/25/87/57/1133258757.db2.gz DOZHKAITYNMFSL-UHFFFAOYSA-N 0 3 347.503 3.586 20 10 EHCDHN Fc1cc(CN2CCCc3ccccc3C2)ccc1N1CCOCC1 ZINC000769332245 1133265226 /nfs/dbraw/zinc/26/52/26/1133265226.db2.gz LFLBOJITJNMJHW-UHFFFAOYSA-N 0 3 340.442 3.611 20 10 EHCDHN CCOc1ccc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000769563760 1133314895 /nfs/dbraw/zinc/31/48/95/1133314895.db2.gz PNASZYNARHEMLV-LFPIHBKWSA-N 0 3 347.480 3.721 20 10 EHCDHN COC(=O)c1c(CN2CCC3(CCCC3)C2)c2cc(F)ccc2n1C ZINC001180267402 1133352123 /nfs/dbraw/zinc/35/21/23/1133352123.db2.gz VOVLGBFQOSQDHQ-UHFFFAOYSA-N 0 3 344.430 3.870 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c2c1c(F)ccc2[O-] ZINC000774381925 1133667734 /nfs/dbraw/zinc/66/77/34/1133667734.db2.gz CYOLVWCLNPRFOY-WPRPVWTQSA-N 0 3 339.304 3.586 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1[O-] ZINC000785566981 1133728221 /nfs/dbraw/zinc/72/82/21/1133728221.db2.gz CNRGNBIEZVBYBH-QZTJIDSGSA-N 0 3 330.472 3.757 20 10 EHCDHN CCOC(=O)C(CC)(CC)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001183197652 1133778948 /nfs/dbraw/zinc/77/89/48/1133778948.db2.gz ZDRORGPWRNCBQI-UHFFFAOYSA-N 0 3 343.851 3.513 20 10 EHCDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1C ZINC000774820417 1134031003 /nfs/dbraw/zinc/03/10/03/1134031003.db2.gz KDHWGSYPDZNPMR-LJQANCHMSA-N 0 3 341.451 3.890 20 10 EHCDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1C ZINC000774820417 1134031007 /nfs/dbraw/zinc/03/10/07/1134031007.db2.gz KDHWGSYPDZNPMR-LJQANCHMSA-N 0 3 341.451 3.890 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000772797598 1134686490 /nfs/dbraw/zinc/68/64/90/1134686490.db2.gz GQGUZFIOSCVTKE-ZDUSSCGKSA-N 0 3 347.846 3.680 20 10 EHCDHN CCC[N@H+](CCCn1c(=O)[nH]c2ccccc21)Cc1ccccc1[O-] ZINC000772797536 1134690229 /nfs/dbraw/zinc/69/02/29/1134690229.db2.gz FPEBHBQADKJRQD-UHFFFAOYSA-N 0 3 339.439 3.750 20 10 EHCDHN CCC[N@@H+](CCCn1c(=O)[nH]c2ccccc21)Cc1ccccc1[O-] ZINC000772797536 1134690232 /nfs/dbraw/zinc/69/02/32/1134690232.db2.gz FPEBHBQADKJRQD-UHFFFAOYSA-N 0 3 339.439 3.750 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000772798225 1134695486 /nfs/dbraw/zinc/69/54/86/1134695486.db2.gz QNJFJIUESJGRAX-OAHLLOKOSA-N 0 3 342.439 3.640 20 10 EHCDHN CN(C)c1ccc(CN(C)CCOCC2CC2)c(C(F)(F)F)c1 ZINC000792838113 1134804194 /nfs/dbraw/zinc/80/41/94/1134804194.db2.gz IFCCDOVJCDIOOS-UHFFFAOYSA-N 0 3 330.394 3.630 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001191278334 1134840225 /nfs/dbraw/zinc/84/02/25/1134840225.db2.gz RAKWWHHCOXNWGS-SFHVURJKSA-N 0 3 342.414 3.549 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001191278334 1134840233 /nfs/dbraw/zinc/84/02/33/1134840233.db2.gz RAKWWHHCOXNWGS-SFHVURJKSA-N 0 3 342.414 3.549 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001191278334 1134840240 /nfs/dbraw/zinc/84/02/40/1134840240.db2.gz RAKWWHHCOXNWGS-SFHVURJKSA-N 0 3 342.414 3.549 20 10 EHCDHN COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)c([O-])c1 ZINC000793389084 1134920927 /nfs/dbraw/zinc/92/09/27/1134920927.db2.gz UZYAEMNBWWPIEY-SFHVURJKSA-N 0 3 340.467 3.544 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000808682052 1135710566 /nfs/dbraw/zinc/71/05/66/1135710566.db2.gz MQPMCVHEAULJFM-UONOGXRCSA-N 0 3 346.858 3.710 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1[O-] ZINC000808709227 1135717746 /nfs/dbraw/zinc/71/77/46/1135717746.db2.gz WAFRZTJYQQPEQR-UKRRQHHQSA-N 0 3 331.847 3.679 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])[C@]12CCCO2 ZINC000808713551 1135718930 /nfs/dbraw/zinc/71/89/30/1135718930.db2.gz IUELDDOTJYKOHY-BUIXCFAXSA-N 0 3 339.863 3.731 20 10 EHCDHN CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808697325 1135725151 /nfs/dbraw/zinc/72/51/51/1135725151.db2.gz DGRDUMIDHFGKFX-ZDUSSCGKSA-N 0 3 346.858 3.607 20 10 EHCDHN CCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCCC1 ZINC000775836233 1135796158 /nfs/dbraw/zinc/79/61/58/1135796158.db2.gz LPKPMTIYOUJCOT-DLBZAZTESA-N 0 3 345.531 3.973 20 10 EHCDHN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809644130 1135864807 /nfs/dbraw/zinc/86/48/07/1135864807.db2.gz WJZQEMJEWZRQLB-KRWDZBQOSA-N 0 3 349.858 3.827 20 10 EHCDHN CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000809644130 1135864811 /nfs/dbraw/zinc/86/48/11/1135864811.db2.gz WJZQEMJEWZRQLB-KRWDZBQOSA-N 0 3 349.858 3.827 20 10 EHCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809723461 1135878974 /nfs/dbraw/zinc/87/89/74/1135878974.db2.gz HTRAYQRPFAXMCR-INIZCTEOSA-N 0 3 334.460 3.662 20 10 EHCDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809723461 1135878978 /nfs/dbraw/zinc/87/89/78/1135878978.db2.gz HTRAYQRPFAXMCR-INIZCTEOSA-N 0 3 334.460 3.662 20 10 EHCDHN COc1cc(CNCc2ccc(N3CCSCC3)cc2)ccc1F ZINC001199376632 1135901530 /nfs/dbraw/zinc/90/15/30/1135901530.db2.gz MQOATYKNVPRCPW-UHFFFAOYSA-N 0 3 346.471 3.677 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)nc1 ZINC000810214994 1135938067 /nfs/dbraw/zinc/93/80/67/1135938067.db2.gz NNUKUJVBMLDAMU-NSHDSACASA-N 0 3 333.229 3.630 20 10 EHCDHN FC(F)Oc1ccc(N2CCC(NCc3cnsc3)CC2)cc1 ZINC001199972097 1135942194 /nfs/dbraw/zinc/94/21/94/1135942194.db2.gz JGWNEDFZDHYEAY-UHFFFAOYSA-N 0 3 339.411 3.503 20 10 EHCDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC001202102208 1136094103 /nfs/dbraw/zinc/09/41/03/1136094103.db2.gz NFXBKXDOHCCCFZ-FUHWJXTLSA-N 0 3 326.431 3.714 20 10 EHCDHN COCc1csc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000850033771 1136201194 /nfs/dbraw/zinc/20/11/94/1136201194.db2.gz DYWSWBUYJPPMTL-UHFFFAOYSA-N 0 3 348.537 3.738 20 10 EHCDHN COc1cc(CN[C@H](CO)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000850140089 1136214232 /nfs/dbraw/zinc/21/42/32/1136214232.db2.gz UNLWWAIQZHKLIB-GOSISDBHSA-N 0 3 329.440 3.522 20 10 EHCDHN COc1ccc(N2CC[C@@H](NCc3cnc(C(C)(C)C)s3)C2)cc1 ZINC000850345538 1136238611 /nfs/dbraw/zinc/23/86/11/1136238611.db2.gz DHIGRXWIPUKBEH-CQSZACIVSA-N 0 3 345.512 3.818 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2c3c(nn2C)CCCC3)cc1 ZINC000812737504 1136240029 /nfs/dbraw/zinc/24/00/29/1136240029.db2.gz PIZSQOLYSCFYIS-OAHLLOKOSA-N 0 3 326.488 3.606 20 10 EHCDHN CC(C)[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000812775294 1136245350 /nfs/dbraw/zinc/24/53/50/1136245350.db2.gz BCNWNSDOBHLQST-LJQANCHMSA-N 0 3 341.451 3.971 20 10 EHCDHN CC(C)[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCOC1 ZINC000812775294 1136245354 /nfs/dbraw/zinc/24/53/54/1136245354.db2.gz BCNWNSDOBHLQST-LJQANCHMSA-N 0 3 341.451 3.971 20 10 EHCDHN CC(C)[C@@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850395003 1136248513 /nfs/dbraw/zinc/24/85/13/1136248513.db2.gz LMNFDGJQQPDDLU-WOJBJXKFSA-N 0 3 330.447 3.740 20 10 EHCDHN CCOc1ccc(O)c(CNCc2cc(F)ccc2OC(F)F)c1 ZINC000850408310 1136252139 /nfs/dbraw/zinc/25/21/39/1136252139.db2.gz HLKYFAYRMXQFPI-UHFFFAOYSA-N 0 3 341.329 3.821 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1[O-] ZINC000850481337 1136266920 /nfs/dbraw/zinc/26/69/20/1136266920.db2.gz GLWYCRPIYQXPPJ-PWSUYJOCSA-N 0 3 328.250 3.681 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)c2c1c(F)ccc2[O-] ZINC000850502382 1136272824 /nfs/dbraw/zinc/27/28/24/1136272824.db2.gz VQEIJIJIFCBXRP-CZUORRHYSA-N 0 3 341.430 3.865 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000850541360 1136282129 /nfs/dbraw/zinc/28/21/29/1136282129.db2.gz VMBPWSINEIQFPA-WDSOQIARSA-N 0 3 327.472 3.886 20 10 EHCDHN CCN(CC)c1ncc(CN[C@H](C)c2cc(OC)ccc2O)s1 ZINC000813331733 1136319156 /nfs/dbraw/zinc/31/91/56/1136319156.db2.gz SNMUMOWYBWEVFR-GFCCVEGCSA-N 0 3 335.473 3.554 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c([O-])c1 ZINC000853095499 1136508994 /nfs/dbraw/zinc/50/89/94/1136508994.db2.gz ZHADSGAMISGVDY-CQSZACIVSA-N 0 3 327.424 3.967 20 10 EHCDHN CCN(C)c1ccc(CN2CCC(Oc3ccncc3C)CC2)cc1 ZINC000815104821 1136556998 /nfs/dbraw/zinc/55/69/98/1136556998.db2.gz WDLWGBHOPYNPKP-UHFFFAOYSA-N 0 3 339.483 3.890 20 10 EHCDHN CC1(C)[C@H](O)C[C@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815618477 1136619419 /nfs/dbraw/zinc/61/94/19/1136619419.db2.gz MQFFVIHJAVNTBA-MISYRCLQSA-N 0 3 325.452 3.815 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000815627698 1136621540 /nfs/dbraw/zinc/62/15/40/1136621540.db2.gz HDQDLHFRYJAHCW-HKUYNNGSSA-N 0 3 347.462 3.936 20 10 EHCDHN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000816565908 1136737511 /nfs/dbraw/zinc/73/75/11/1136737511.db2.gz FXWDFJCGVQQKTB-QWHCGFSZSA-N 0 3 340.870 3.927 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCCNC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984681 1136855403 /nfs/dbraw/zinc/85/54/03/1136855403.db2.gz XIEMKQXMGUPXQF-GXSJLCMTSA-N 0 3 347.684 3.601 20 10 EHCDHN C[C@H]([NH2+]CCCNCc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000817939251 1136847388 /nfs/dbraw/zinc/84/73/88/1136847388.db2.gz BIBXYKRIYWSRGZ-INIZCTEOSA-N 0 3 335.451 3.771 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2NCCc3ccccc32)c2c1c(F)ccc2[O-] ZINC000817973405 1136853906 /nfs/dbraw/zinc/85/39/06/1136853906.db2.gz FHDGMUAZSWJENL-CSMYWGQOSA-N 0 3 326.415 3.556 20 10 EHCDHN C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984681 1136855400 /nfs/dbraw/zinc/85/54/00/1136855400.db2.gz XIEMKQXMGUPXQF-GXSJLCMTSA-N 0 3 347.684 3.601 20 10 EHCDHN COc1ccc(CNCc2cc(C)ccc2O)c(Br)c1 ZINC000858239458 1136951651 /nfs/dbraw/zinc/95/16/51/1136951651.db2.gz NTLDGLZOSARKRA-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000858449524 1136968742 /nfs/dbraw/zinc/96/87/42/1136968742.db2.gz NPFFNPWBGONYEW-HIFRSBDPSA-N 0 3 327.350 3.741 20 10 EHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000013994899 1137133912 /nfs/dbraw/zinc/13/39/12/1137133912.db2.gz SLWMRTZWJWLXPI-IBGZPJMESA-N 0 3 327.424 3.582 20 10 EHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000013994899 1137133913 /nfs/dbraw/zinc/13/39/13/1137133913.db2.gz SLWMRTZWJWLXPI-IBGZPJMESA-N 0 3 327.424 3.582 20 10 EHCDHN CN(C)c1cc(F)c(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000862384318 1137141585 /nfs/dbraw/zinc/14/15/85/1137141585.db2.gz VAUFDWHJMDCHQV-YJLNNSPDSA-N 0 3 338.442 3.546 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)c2ccccn2)c1[O-] ZINC000824583994 1137145360 /nfs/dbraw/zinc/14/53/60/1137145360.db2.gz UOQKYLSPWLBYRL-UHFFFAOYSA-N 0 3 349.272 3.926 20 10 EHCDHN COc1cc(O)c(CN2CC(c3ccc(Cl)cc3)C2)cc1OC ZINC000824988154 1137161226 /nfs/dbraw/zinc/16/12/26/1137161226.db2.gz HAQDORHATZZONO-UHFFFAOYSA-N 0 3 333.815 3.662 20 10 EHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(OCCOC(C)C)CC2)c1[O-] ZINC000825208009 1137168846 /nfs/dbraw/zinc/16/88/46/1137168846.db2.gz PWFFRZHZCULBAI-UHFFFAOYSA-N 0 3 341.879 3.760 20 10 EHCDHN Cc1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)ccc1N(C)C ZINC000844382783 1137218482 /nfs/dbraw/zinc/21/84/82/1137218482.db2.gz JADWXOMAOOKQIJ-UHFFFAOYSA-N 0 3 330.369 3.927 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(C)cc1[O-] ZINC000794800191 1137251866 /nfs/dbraw/zinc/25/18/66/1137251866.db2.gz BBDYOPIBZJGMDR-GOSISDBHSA-N 0 3 340.423 3.898 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794374 1137252814 /nfs/dbraw/zinc/25/28/14/1137252814.db2.gz MTEZRFAKPOEYEF-UYAOXDASSA-N 0 3 326.484 3.914 20 10 EHCDHN C[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)NC(=O)OC(C)(C)C ZINC000794825892 1137270163 /nfs/dbraw/zinc/27/01/63/1137270163.db2.gz QLKWBHFPARVLER-DMDPSCGWSA-N 0 3 338.423 3.582 20 10 EHCDHN FC(F)c1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC000865418348 1137281780 /nfs/dbraw/zinc/28/17/80/1137281780.db2.gz ZXHAOWRHEWSPOV-UHFFFAOYSA-N 0 3 349.450 3.862 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000865657339 1137302361 /nfs/dbraw/zinc/30/23/61/1137302361.db2.gz IHXKVXYXXVZIGL-XOKHGSTOSA-N 0 3 330.225 3.583 20 10 EHCDHN CCOCc1cc(CNCc2cccc3c2CCOC3)ccc1OC ZINC000865726244 1137306997 /nfs/dbraw/zinc/30/69/97/1137306997.db2.gz ULDNLTFQZXSBKY-UHFFFAOYSA-N 0 3 341.451 3.594 20 10 EHCDHN C[C@H](CO)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000846058435 1137327549 /nfs/dbraw/zinc/32/75/49/1137327549.db2.gz OVTYZANJRWNNOM-MRXNPFEDSA-N 0 3 325.452 3.900 20 10 EHCDHN C[C@H](COCC1CC1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846072829 1137331282 /nfs/dbraw/zinc/33/12/82/1137331282.db2.gz IKKHWAZRTWIYOB-MRXNPFEDSA-N 0 3 341.451 3.876 20 10 EHCDHN Cc1cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794902170 1137332452 /nfs/dbraw/zinc/33/24/52/1137332452.db2.gz POHBAGQEIJPVFJ-HRAATJIYSA-N 0 3 347.499 3.768 20 10 EHCDHN Cn1ccnc1[C@H](Cc1ccccc1)N[C@H]1CCc2cccc(O)c21 ZINC000846208453 1137339673 /nfs/dbraw/zinc/33/96/73/1137339673.db2.gz YFBZUMIVONMTBU-ROUUACIJSA-N 0 3 333.435 3.687 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000866535967 1137362769 /nfs/dbraw/zinc/36/27/69/1137362769.db2.gz JPTNVSNPUHIQLO-LSDHHAIUSA-N 0 3 347.480 3.558 20 10 EHCDHN C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3ncccc23)c2c1c(F)ccc2[O-] ZINC000866573958 1137365958 /nfs/dbraw/zinc/36/59/58/1137365958.db2.gz PVUOFXUWBLMJJQ-LRDDRELGSA-N 0 3 339.414 3.799 20 10 EHCDHN COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001171326163 1137420486 /nfs/dbraw/zinc/42/04/86/1137420486.db2.gz KHJUDNSAXBMAOD-CQSZACIVSA-N 0 3 343.854 3.970 20 10 EHCDHN COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001171326163 1137420488 /nfs/dbraw/zinc/42/04/88/1137420488.db2.gz KHJUDNSAXBMAOD-CQSZACIVSA-N 0 3 343.854 3.970 20 10 EHCDHN Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000773017600 1137459345 /nfs/dbraw/zinc/45/93/45/1137459345.db2.gz SIRVDEVMLPWPET-JXFKEZNVSA-N 0 3 337.467 3.517 20 10 EHCDHN C[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(N(C)C)cc1 ZINC000773026689 1137460255 /nfs/dbraw/zinc/46/02/55/1137460255.db2.gz OQRIQAZHFPHDDW-GUXCAODWSA-N 0 3 337.467 3.597 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715102329 1137475563 /nfs/dbraw/zinc/47/55/63/1137475563.db2.gz CPIIXLRRJYBVLC-IJEWVQPXSA-N 0 3 334.460 3.736 20 10 EHCDHN Cc1ccc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000877459536 1137677043 /nfs/dbraw/zinc/67/70/43/1137677043.db2.gz IGGAAYZYOPVFBZ-UHFFFAOYSA-N 0 3 334.460 3.580 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000877532419 1137680051 /nfs/dbraw/zinc/68/00/51/1137680051.db2.gz GCAGUKSCASQLRR-MRXNPFEDSA-N 0 3 325.330 3.543 20 10 EHCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)c1 ZINC000877829298 1137692669 /nfs/dbraw/zinc/69/26/69/1137692669.db2.gz YOYDQUBXNLUQTG-JTQLQIEISA-N 0 3 326.318 3.665 20 10 EHCDHN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879649781 1137753651 /nfs/dbraw/zinc/75/36/51/1137753651.db2.gz GTYWLTYBHNCCLL-PMUMKWKESA-N 0 3 342.414 3.544 20 10 EHCDHN C[C@@H]([NH2+][C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000879648947 1137753688 /nfs/dbraw/zinc/75/36/88/1137753688.db2.gz GTYWLTYBHNCCLL-LBTNJELSSA-N 0 3 342.414 3.544 20 10 EHCDHN COc1cccc(OC)c1OCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650840 1137753846 /nfs/dbraw/zinc/75/38/46/1137753846.db2.gz SOBXQWCDSIKHDX-HNNXBMFYSA-N 0 3 345.439 3.919 20 10 EHCDHN Fc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000130147316 1137834471 /nfs/dbraw/zinc/83/44/71/1137834471.db2.gz FSNVUIIXENRSIB-UHFFFAOYSA-N 0 3 340.442 3.827 20 10 EHCDHN [O-]c1c(F)cc(F)cc1CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000882882451 1137836799 /nfs/dbraw/zinc/83/67/99/1137836799.db2.gz LNFHOODLRNJLIH-SFHVURJKSA-N 0 3 332.394 3.597 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cc(C(OC)OC)ccc2F)c1 ZINC000883156377 1137846602 /nfs/dbraw/zinc/84/66/02/1137846602.db2.gz MOBHICLWRLOZNH-LBPRGKRZSA-N 0 3 349.402 3.682 20 10 EHCDHN CN(C)c1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1F ZINC000883398430 1137859816 /nfs/dbraw/zinc/85/98/16/1137859816.db2.gz MLZLYGVOGLFBSP-IBGZPJMESA-N 0 3 338.430 3.619 20 10 EHCDHN Cc1ccc(O)c(CNC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000089803043 1138205552 /nfs/dbraw/zinc/20/55/52/1138205552.db2.gz FHSOULGSWPCOBI-UHFFFAOYSA-N 0 3 333.378 3.774 20 10 EHCDHN COc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)ccn1 ZINC000177842568 1139645764 /nfs/dbraw/zinc/64/57/64/1139645764.db2.gz NOJIQZCXSGYMPG-MRXNPFEDSA-N 0 3 325.456 3.931 20 10 EHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccsc3)cc2F)CC1 ZINC000177972236 1139659694 /nfs/dbraw/zinc/65/96/94/1139659694.db2.gz MTOZOSOCBIEJMG-OAHLLOKOSA-N 0 3 347.503 3.880 20 10 EHCDHN C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000183619694 1140050789 /nfs/dbraw/zinc/05/07/89/1140050789.db2.gz FESQYJLMXBKRRU-ABAIWWIYSA-N 0 3 336.229 3.539 20 10 EHCDHN CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184958454 1140127911 /nfs/dbraw/zinc/12/79/11/1140127911.db2.gz YJQBGSXKZZZKJC-AWEZNQCLSA-N 0 3 344.430 3.864 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c([O-])c1 ZINC000185011014 1140131343 /nfs/dbraw/zinc/13/13/43/1140131343.db2.gz BUHDABLYORGZIB-MRXNPFEDSA-N 0 3 338.451 3.674 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cc(F)ccc1[O-] ZINC000185151418 1140138354 /nfs/dbraw/zinc/13/83/54/1140138354.db2.gz NXZPIECMCLHELT-SNVBAGLBSA-N 0 3 337.778 3.807 20 10 EHCDHN COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000185269604 1140142626 /nfs/dbraw/zinc/14/26/26/1140142626.db2.gz MIPITDGMUFZAEA-SJORKVTESA-N 0 3 340.467 3.886 20 10 EHCDHN COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185712296 1140165613 /nfs/dbraw/zinc/16/56/13/1140165613.db2.gz UFSOAVANUIQDLK-HOTGVXAUSA-N 0 3 326.440 3.639 20 10 EHCDHN CC(C)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185881041 1140175253 /nfs/dbraw/zinc/17/52/53/1140175253.db2.gz KKWKEJCXJDIUGI-LBPRGKRZSA-N 0 3 341.293 3.678 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nc3c(cccc3F)n2C)c([O-])c1 ZINC000186039195 1140183978 /nfs/dbraw/zinc/18/39/78/1140183978.db2.gz RLQSAAMWGZJECC-CYBMUJFWSA-N 0 3 327.403 3.620 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c([O-])c1 ZINC000186061129 1140185051 /nfs/dbraw/zinc/18/50/51/1140185051.db2.gz NLWPJKCXBDVNHZ-CYBMUJFWSA-N 0 3 327.403 3.620 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)c1[O-] ZINC000187353571 1140251206 /nfs/dbraw/zinc/25/12/06/1140251206.db2.gz VLCZUFAYABNFRH-NEPJUHHUSA-N 0 3 344.293 3.911 20 10 EHCDHN CN(C)c1ccc(CN(Cc2c[nH]nc2-c2cccnc2)C2CC2)cc1 ZINC000271052610 1141301710 /nfs/dbraw/zinc/30/17/10/1141301710.db2.gz QRUAZQZBKVAVMI-UHFFFAOYSA-N 0 3 347.466 3.702 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCCC1CCOCC1)C[C@H]1CCCO1 ZINC000274212477 1141485863 /nfs/dbraw/zinc/48/58/63/1141485863.db2.gz ODBUYKSHUNGRSK-LJQANCHMSA-N 0 3 333.472 3.580 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCCC1CCOCC1)C[C@H]1CCCO1 ZINC000274212477 1141485867 /nfs/dbraw/zinc/48/58/67/1141485867.db2.gz ODBUYKSHUNGRSK-LJQANCHMSA-N 0 3 333.472 3.580 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293971869 1017803663 /nfs/dbraw/zinc/80/36/63/1017803663.db2.gz KDICFKHFCTUSGD-KRWDZBQOSA-N 0 3 341.451 3.566 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293971869 1017803680 /nfs/dbraw/zinc/80/36/80/1017803680.db2.gz KDICFKHFCTUSGD-KRWDZBQOSA-N 0 3 341.451 3.566 20 10 EHCDHN CCN1CCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000729282379 1019262450 /nfs/dbraw/zinc/26/24/50/1019262450.db2.gz URQBFOBSCXYCKB-FQEVSTJZSA-N 0 3 343.515 3.510 20 10 EHCDHN CC[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(C)cc1[O-] ZINC000280016769 1020010472 /nfs/dbraw/zinc/01/04/72/1020010472.db2.gz HCWQYRAQUJLPEO-LPHOPBHVSA-N 0 3 338.451 3.826 20 10 EHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000280138121 1020104135 /nfs/dbraw/zinc/10/41/35/1020104135.db2.gz PLTFMIMGCRTWML-CXAGYDPISA-N 0 3 327.428 3.993 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172772827 1032937481 /nfs/dbraw/zinc/93/74/81/1032937481.db2.gz XHODJHGLQVDQIR-GOSISDBHSA-N 0 3 340.423 3.630 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172772827 1032937497 /nfs/dbraw/zinc/93/74/97/1032937497.db2.gz XHODJHGLQVDQIR-GOSISDBHSA-N 0 3 340.423 3.630 20 10 EHCDHN CC(C)(CO)[C@@H](NCc1ccc2c(c1)CCCO2)c1cccs1 ZINC000894803397 1022924616 /nfs/dbraw/zinc/92/46/16/1022924616.db2.gz XSALSXHVWUGJHC-SFHVURJKSA-N 0 3 331.481 3.923 20 10 EHCDHN COc1cc(C)cc(CNCc2cccc(OC(C)(C)C)n2)c1O ZINC000894366493 1023014575 /nfs/dbraw/zinc/01/45/75/1023014575.db2.gz HFUHZFZOFLPOLN-UHFFFAOYSA-N 0 3 330.428 3.571 20 10 EHCDHN COc1ccc([C@H](C)NCc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000895394337 1024465440 /nfs/dbraw/zinc/46/54/40/1024465440.db2.gz YEPPNYPKGLIFGK-ZDUSSCGKSA-N 0 3 331.412 3.577 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(C)cc1[O-] ZINC000281571711 1025245236 /nfs/dbraw/zinc/24/52/36/1025245236.db2.gz KNCRBWJJHJYECS-MRXNPFEDSA-N 0 3 331.485 3.867 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1[O-] ZINC000896827627 1026104282 /nfs/dbraw/zinc/10/42/82/1026104282.db2.gz AGIAJJHGKOIBBR-NSHDSACASA-N 0 3 333.815 3.667 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271813596 1029184459 /nfs/dbraw/zinc/18/44/59/1029184459.db2.gz MKSGUPCQBYLERH-ZDUSSCGKSA-N 0 3 347.846 3.994 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1[O-] ZINC000271813596 1029184461 /nfs/dbraw/zinc/18/44/61/1029184461.db2.gz MKSGUPCQBYLERH-ZDUSSCGKSA-N 0 3 347.846 3.994 20 10 EHCDHN Cc1cc(Cl)cc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271813596 1029184464 /nfs/dbraw/zinc/18/44/64/1029184464.db2.gz MKSGUPCQBYLERH-ZDUSSCGKSA-N 0 3 347.846 3.994 20 10 EHCDHN Cc1cccc(CN2CC[NH+](Cc3c([O-])ccc4ccncc43)CC2)c1 ZINC000021969127 1029266910 /nfs/dbraw/zinc/26/69/10/1029266910.db2.gz UBEMHEYGRDGLBE-UHFFFAOYSA-N 0 3 347.462 3.567 20 10 EHCDHN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128842182 1031356943 /nfs/dbraw/zinc/35/69/43/1031356943.db2.gz IYFCIRHAAYUKGO-OAHLLOKOSA-N 0 3 346.421 3.994 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000174373262 1033911510 /nfs/dbraw/zinc/91/15/10/1033911510.db2.gz SNHQNDKWLBZWGA-QGZVFWFLSA-N 0 3 340.467 3.651 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000174373262 1033911519 /nfs/dbraw/zinc/91/15/19/1033911519.db2.gz SNHQNDKWLBZWGA-QGZVFWFLSA-N 0 3 340.467 3.651 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1cc(F)ccc1[O-] ZINC000185719328 1035522583 /nfs/dbraw/zinc/52/25/83/1035522583.db2.gz RGVIDPQSGZYQLM-AAEUAGOBSA-N 0 3 335.810 3.509 20 10 EHCDHN CC[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000156730496 1035747523 /nfs/dbraw/zinc/74/75/23/1035747523.db2.gz ZWUITYUKOBHIPD-AWEZNQCLSA-N 0 3 340.345 3.926 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(-n2cc(Cl)cn2)n1 ZINC000191531964 1036410027 /nfs/dbraw/zinc/41/00/27/1036410027.db2.gz DXNKSPDCKSBEGY-CYBMUJFWSA-N 0 3 342.830 3.786 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(C)cc1[O-] ZINC000279928050 1039596603 /nfs/dbraw/zinc/59/66/03/1039596603.db2.gz AMEYSOHOPAPSDZ-FQEVSTJZSA-N 0 3 339.483 3.801 20 10 EHCDHN CCOC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1 ZINC001142602739 1039716662 /nfs/dbraw/zinc/71/66/62/1039716662.db2.gz APIKUVMDUKKISP-UHFFFAOYSA-N 0 3 326.440 3.561 20 10 EHCDHN CC[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccccc1[O-] ZINC000156538576 1041273170 /nfs/dbraw/zinc/27/31/70/1041273170.db2.gz IMCBORSNEIICRH-SFHVURJKSA-N 0 3 338.451 3.802 20 10 EHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000072953287 1126949255 /nfs/dbraw/zinc/94/92/55/1126949255.db2.gz QUDWUQXUDORAKJ-UHFFFAOYSA-N 0 3 330.859 3.809 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000186003545 1127221482 /nfs/dbraw/zinc/22/14/82/1127221482.db2.gz LNTXGASABMOBBA-HWPZZCPQSA-N 0 3 343.320 3.934 20 10 EHCDHN Cc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000764582663 1127509624 /nfs/dbraw/zinc/50/96/24/1127509624.db2.gz GXAGYOUZXDUGQL-INIZCTEOSA-N 0 3 325.456 3.659 20 10 EHCDHN Cc1cc(O)c(CN2CCN([C@@H](C)c3ccsc3)CC2)cc1C ZINC000764955718 1127557074 /nfs/dbraw/zinc/55/70/74/1127557074.db2.gz QPSMXUSALKOPSV-INIZCTEOSA-N 0 3 330.497 3.949 20 10 EHCDHN O=C1CCCN1c1cccc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC001648798076 1120039933 /nfs/dbraw/zinc/03/99/33/1120039933.db2.gz AQYJDKVMQBMJBE-UHFFFAOYSA-N 0 3 349.478 3.703 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000762468932 1121314037 /nfs/dbraw/zinc/31/40/37/1121314037.db2.gz XUCCYGLFTPTCEY-PKOBYXMFSA-N 0 3 325.408 3.545 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000762468932 1121314046 /nfs/dbraw/zinc/31/40/46/1121314046.db2.gz XUCCYGLFTPTCEY-PKOBYXMFSA-N 0 3 325.408 3.545 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000763455827 1123612452 /nfs/dbraw/zinc/61/24/52/1123612452.db2.gz VYDPMTVZRWQNLQ-PKOBYXMFSA-N 0 3 349.833 3.749 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)C(C)(C)C)c1[O-] ZINC000734509532 1131244068 /nfs/dbraw/zinc/24/40/68/1131244068.db2.gz KCMFOMGFNQMTNU-JTQLQIEISA-N 0 3 330.266 3.935 20 10 EHCDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)CCO2 ZINC000186698393 1129756405 /nfs/dbraw/zinc/75/64/05/1129756405.db2.gz UZFVHTJVLFXQJR-UGSOOPFHSA-N 0 3 343.423 3.974 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000282496756 1129948951 /nfs/dbraw/zinc/94/89/51/1129948951.db2.gz RORNBTXGXCBECG-DOTOQJQBSA-N 0 3 339.439 3.658 20 10 EHCDHN CCCN(CC(=O)N(C(C)C)C1CCCC1)Cc1ccccc1O ZINC000727830652 1130597424 /nfs/dbraw/zinc/59/74/24/1130597424.db2.gz FRPOHYYIIYTNKN-UHFFFAOYSA-N 0 3 332.488 3.784 20 10 EHCDHN Cc1ccc(O)c(CNCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000733323325 1131025538 /nfs/dbraw/zinc/02/55/38/1131025538.db2.gz ULKIAWJQSSHUEH-UHFFFAOYSA-N 0 3 339.222 3.736 20 10 EHCDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000743477185 1131930222 /nfs/dbraw/zinc/93/02/22/1131930222.db2.gz GRDXCXPBCNFCFR-GOEBONIOSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000743477185 1131930230 /nfs/dbraw/zinc/93/02/30/1131930230.db2.gz GRDXCXPBCNFCFR-GOEBONIOSA-N 0 3 344.480 3.579 20 10 EHCDHN C[C@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)CCN1Cc1ccccc1 ZINC000743477185 1131930234 /nfs/dbraw/zinc/93/02/34/1131930234.db2.gz GRDXCXPBCNFCFR-GOEBONIOSA-N 0 3 344.480 3.579 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000743869845 1131996353 /nfs/dbraw/zinc/99/63/53/1131996353.db2.gz CEKKJTILARXYMO-SFHVURJKSA-N 0 3 342.414 3.549 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872188 1132593601 /nfs/dbraw/zinc/59/36/01/1132593601.db2.gz LJNSFYSMQSQRED-GOEBONIOSA-N 0 3 334.460 3.612 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872188 1132593607 /nfs/dbraw/zinc/59/36/07/1132593607.db2.gz LJNSFYSMQSQRED-GOEBONIOSA-N 0 3 334.460 3.612 20 10 EHCDHN CN(C)c1cc(F)c(CNCCCN(C)c2ccccc2)cc1F ZINC001177122611 1133029688 /nfs/dbraw/zinc/02/96/88/1133029688.db2.gz OLPQRIRQVSIWFS-UHFFFAOYSA-N 0 3 333.426 3.647 20 10 EHCDHN CCOc1ccc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC000768196315 1133112823 /nfs/dbraw/zinc/11/28/23/1133112823.db2.gz BTCDRXKPPNSDBG-UHFFFAOYSA-N 0 3 329.396 3.542 20 10 EHCDHN CCOc1ccc(C[N@@H+](CC)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC000768196315 1133112826 /nfs/dbraw/zinc/11/28/26/1133112826.db2.gz BTCDRXKPPNSDBG-UHFFFAOYSA-N 0 3 329.396 3.542 20 10 EHCDHN C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439269 1133139279 /nfs/dbraw/zinc/13/92/79/1133139279.db2.gz JHYGFARUWCCFDA-XOBRGWDASA-N 0 3 339.435 3.619 20 10 EHCDHN C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439269 1133139281 /nfs/dbraw/zinc/13/92/81/1133139281.db2.gz JHYGFARUWCCFDA-XOBRGWDASA-N 0 3 339.435 3.619 20 10 EHCDHN COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)c1 ZINC000768935461 1133205620 /nfs/dbraw/zinc/20/56/20/1133205620.db2.gz ANYJTUUGPIXOIR-INIZCTEOSA-N 0 3 327.424 3.617 20 10 EHCDHN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)c1 ZINC000768935461 1133205624 /nfs/dbraw/zinc/20/56/24/1133205624.db2.gz ANYJTUUGPIXOIR-INIZCTEOSA-N 0 3 327.424 3.617 20 10 EHCDHN CCOc1ccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000769020529 1133214887 /nfs/dbraw/zinc/21/48/87/1133214887.db2.gz DPJDPZMSJDDLQM-FQEVSTJZSA-N 0 3 327.424 3.537 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000769020529 1133214890 /nfs/dbraw/zinc/21/48/90/1133214890.db2.gz DPJDPZMSJDDLQM-FQEVSTJZSA-N 0 3 327.424 3.537 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1F ZINC000769189703 1133232531 /nfs/dbraw/zinc/23/25/31/1133232531.db2.gz PKQJEECAFFHYIV-UHFFFAOYSA-N 0 3 330.451 3.775 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000769451726 1133293789 /nfs/dbraw/zinc/29/37/89/1133293789.db2.gz MKAQCEGVXIWDOJ-QGZVFWFLSA-N 0 3 326.440 3.502 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000769451726 1133293792 /nfs/dbraw/zinc/29/37/92/1133293792.db2.gz MKAQCEGVXIWDOJ-QGZVFWFLSA-N 0 3 326.440 3.502 20 10 EHCDHN CCc1nc2c(s1)[C@@H](N(C)Cc1c(O)cccc1OC)CCC2 ZINC000769514813 1133307088 /nfs/dbraw/zinc/30/70/88/1133307088.db2.gz OPVOLVVBFHYUGT-AWEZNQCLSA-N 0 3 332.469 3.929 20 10 EHCDHN COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC001180112830 1133333309 /nfs/dbraw/zinc/33/33/09/1133333309.db2.gz OTJMKGPMPMFFCC-INIZCTEOSA-N 0 3 347.842 3.880 20 10 EHCDHN COc1ccc(C[C@@H]2CC[N@H+]2Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC001180112830 1133333312 /nfs/dbraw/zinc/33/33/12/1133333312.db2.gz OTJMKGPMPMFFCC-INIZCTEOSA-N 0 3 347.842 3.880 20 10 EHCDHN CO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C12CCC2 ZINC001182249272 1133602252 /nfs/dbraw/zinc/60/22/52/1133602252.db2.gz FEQDYNUYKDKXNZ-KGLIPLIRSA-N 0 3 340.261 3.510 20 10 EHCDHN CCc1nn(C)cc1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000771874942 1133605434 /nfs/dbraw/zinc/60/54/34/1133605434.db2.gz LNYGIXLADDBZBN-UHFFFAOYSA-N 0 3 336.483 3.988 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCCN(c3ccc(C)cc3)CC2)c([O-])c1 ZINC000771938286 1133617458 /nfs/dbraw/zinc/61/74/58/1133617458.db2.gz JFVPNJTVHZCJPN-UHFFFAOYSA-N 0 3 340.467 3.812 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCCN(c3ccc(C)cc3)CC2)c([O-])c1 ZINC000771938286 1133617461 /nfs/dbraw/zinc/61/74/61/1133617461.db2.gz JFVPNJTVHZCJPN-UHFFFAOYSA-N 0 3 340.467 3.812 20 10 EHCDHN CCc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774480419 1133687345 /nfs/dbraw/zinc/68/73/45/1133687345.db2.gz BQJXOXVOYXXRIO-HZPDHXFCSA-N 0 3 339.483 3.993 20 10 EHCDHN Cc1ccc(F)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774487329 1133688939 /nfs/dbraw/zinc/68/89/39/1133688939.db2.gz ZFAWFUDJHPHCSJ-HUUCEWRRSA-N 0 3 343.446 3.878 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000774486542 1133689022 /nfs/dbraw/zinc/68/90/22/1133689022.db2.gz WGBFCCKAIFHIPJ-STQMWFEESA-N 0 3 347.409 3.709 20 10 EHCDHN CCOc1ccc(CN[C@H](COC)c2ccc(Cl)cc2)c(O)c1 ZINC000785544265 1133719289 /nfs/dbraw/zinc/71/92/89/1133719289.db2.gz LRFLUAORBYOSBZ-QGZVFWFLSA-N 0 3 335.831 3.922 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](COC)c2ccc(Cl)cc2)c([O-])c1 ZINC000785544265 1133719295 /nfs/dbraw/zinc/71/92/95/1133719295.db2.gz LRFLUAORBYOSBZ-QGZVFWFLSA-N 0 3 335.831 3.922 20 10 EHCDHN Cc1cscc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000786925373 1133929955 /nfs/dbraw/zinc/92/99/55/1133929955.db2.gz GQJRFCYCYWJTJK-CQSZACIVSA-N 0 3 334.460 3.883 20 10 EHCDHN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1cccc(OC)c1O ZINC000787330835 1133989884 /nfs/dbraw/zinc/98/98/84/1133989884.db2.gz FDQXFOJYOZNHDO-MRXNPFEDSA-N 0 3 335.831 3.874 20 10 EHCDHN COC[C@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000787333848 1133990802 /nfs/dbraw/zinc/99/08/02/1133990802.db2.gz YJEFXSBVMOWWEL-OAHLLOKOSA-N 0 3 349.814 3.594 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1[O-] ZINC000775412922 1134751409 /nfs/dbraw/zinc/75/14/09/1134751409.db2.gz SCBIOSBSCUZCER-MPGHIAIKSA-N 0 3 338.451 3.799 20 10 EHCDHN CN(C)c1ccc(CN2CCC(CCCO)CC2)c(C(F)(F)F)c1 ZINC000793064823 1134846140 /nfs/dbraw/zinc/84/61/40/1134846140.db2.gz DVZZILCWJBJNJK-UHFFFAOYSA-N 0 3 344.421 3.756 20 10 EHCDHN CO[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793073582 1134846841 /nfs/dbraw/zinc/84/68/41/1134846841.db2.gz LEUJXFHSGWSYMA-HNNXBMFYSA-N 0 3 330.394 3.772 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(C)c(Br)c2)c([O-])c1 ZINC000793388603 1134922219 /nfs/dbraw/zinc/92/22/19/1134922219.db2.gz QGDCEMRENYNHBZ-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN COc1ccc(CNCc2ccc(C)cc2Br)c(O)c1 ZINC000793390338 1134922552 /nfs/dbraw/zinc/92/25/52/1134922552.db2.gz OWOFXVMLPQRBIN-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN Cc1cc(CN(C)[C@H](CO)c2ccc(Cl)cc2)ccc1N(C)C ZINC001170508292 1135446253 /nfs/dbraw/zinc/44/62/53/1135446253.db2.gz SWTFBIHQHXYCEC-LJQANCHMSA-N 0 3 332.875 3.880 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1[O-] ZINC000808675386 1135714142 /nfs/dbraw/zinc/71/41/42/1135714142.db2.gz FJLDJGKNRPAZBH-ZDUSSCGKSA-N 0 3 342.830 3.786 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1[O-] ZINC000808675375 1135714532 /nfs/dbraw/zinc/71/45/32/1135714532.db2.gz DZKPSAMMSYDLOE-CYBMUJFWSA-N 0 3 333.863 3.780 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000808707371 1135717205 /nfs/dbraw/zinc/71/72/05/1135717205.db2.gz NCVBVSHOVGCSQB-CJNGLKHVSA-N 0 3 338.879 3.652 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000808707370 1135717338 /nfs/dbraw/zinc/71/73/38/1135717338.db2.gz NCVBVSHOVGCSQB-BBRMVZONSA-N 0 3 338.879 3.652 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000808712973 1135719326 /nfs/dbraw/zinc/71/93/26/1135719326.db2.gz DCGGYENAIDDIHB-VXGBXAGGSA-N 0 3 342.867 3.918 20 10 EHCDHN CO[C@@H](CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(F)(F)F ZINC000808716553 1135720226 /nfs/dbraw/zinc/72/02/26/1135720226.db2.gz YUNBEMITNNLLME-SKDRFNHKSA-N 0 3 325.758 3.972 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000808699059 1135726117 /nfs/dbraw/zinc/72/61/17/1135726117.db2.gz RETLEECOPISGSD-ZBEGNZNMSA-N 0 3 325.861 3.974 20 10 EHCDHN CCc1cccc(C)c1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834365 1135798541 /nfs/dbraw/zinc/79/85/41/1135798541.db2.gz SLOCQZVHJMVAKR-MRXNPFEDSA-N 0 3 339.483 3.913 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1[O-] ZINC000775928370 1135872153 /nfs/dbraw/zinc/87/21/53/1135872153.db2.gz CIYSKGQDPZLEOU-UHFFFAOYSA-N 0 3 341.842 3.889 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000809705330 1135875067 /nfs/dbraw/zinc/87/50/67/1135875067.db2.gz RFYWXJACVNHZFU-KRWDZBQOSA-N 0 3 344.421 3.812 20 10 EHCDHN COc1cccc(CNCc2c(Cl)ccc3cccnc32)c1O ZINC000809740202 1135883081 /nfs/dbraw/zinc/88/30/81/1135883081.db2.gz OVKYUIBIZPMLCT-UHFFFAOYSA-N 0 3 328.799 3.892 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000809757187 1135887245 /nfs/dbraw/zinc/88/72/45/1135887245.db2.gz LCVJBDJMDLLKBJ-INIZCTEOSA-N 0 3 329.444 3.858 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCCCC[C@H]1c1c(C)n[nH]c1C ZINC000809757187 1135887248 /nfs/dbraw/zinc/88/72/48/1135887248.db2.gz LCVJBDJMDLLKBJ-INIZCTEOSA-N 0 3 329.444 3.858 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000776006961 1135919536 /nfs/dbraw/zinc/91/95/36/1135919536.db2.gz DSHGSEPYIUVSNR-GOSISDBHSA-N 0 3 348.446 3.817 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000776006961 1135919537 /nfs/dbraw/zinc/91/95/37/1135919537.db2.gz DSHGSEPYIUVSNR-GOSISDBHSA-N 0 3 348.446 3.817 20 10 EHCDHN CCCOc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1C ZINC001201541929 1136034544 /nfs/dbraw/zinc/03/45/44/1136034544.db2.gz LFUJJWZCPCUTBI-NRFANRHFSA-N 0 3 325.452 3.707 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000811512506 1136103912 /nfs/dbraw/zinc/10/39/12/1136103912.db2.gz NBLCKWULILAPJG-HKUYNNGSSA-N 0 3 331.843 3.610 20 10 EHCDHN COc1cc(CNCc2cnc3n2CCCC3)c(O)c(C(C)(C)C)c1 ZINC000850289628 1136231756 /nfs/dbraw/zinc/23/17/56/1136231756.db2.gz KTVJNGZRPWRJKJ-UHFFFAOYSA-N 0 3 343.471 3.521 20 10 EHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)c2c1c(F)ccc2[O-] ZINC000812735482 1136239328 /nfs/dbraw/zinc/23/93/28/1136239328.db2.gz SKUZKFATSZUTPU-IAQYHMDHSA-N 0 3 325.387 3.756 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c([O-])c1 ZINC000812772943 1136244908 /nfs/dbraw/zinc/24/49/08/1136244908.db2.gz STEOXBNXZAFIDR-OAHLLOKOSA-N 0 3 344.430 3.546 20 10 EHCDHN CC[C@@H](NCc1cnc(C(F)(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000850485768 1136268221 /nfs/dbraw/zinc/26/82/21/1136268221.db2.gz NBIWSGXNLNTZMZ-OAHLLOKOSA-N 0 3 338.377 3.802 20 10 EHCDHN CC[C@H](NCc1ccc(Cl)c(C(=O)OC)n1)c1ccc(C)cc1O ZINC000850515390 1136275067 /nfs/dbraw/zinc/27/50/67/1136275067.db2.gz KPRIKRUBVMNCEK-HNNXBMFYSA-N 0 3 348.830 3.777 20 10 EHCDHN COC(=O)c1nc(CN[C@@H](C)c2c(C)cc(C)cc2O)ccc1Cl ZINC000850515827 1136276067 /nfs/dbraw/zinc/27/60/67/1136276067.db2.gz PCRWJSCAAKFQNH-LBPRGKRZSA-N 0 3 348.830 3.695 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)c1[O-] ZINC000850524522 1136277428 /nfs/dbraw/zinc/27/74/28/1136277428.db2.gz GUFBCVZSQXPFHX-DGCLKSJQSA-N 0 3 340.261 3.825 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]Cc2c(C3CCC3)cnn2C)c2c1c(F)ccc2[O-] ZINC000850552721 1136283582 /nfs/dbraw/zinc/28/35/82/1136283582.db2.gz XTABWIRKOQJMJN-ABAIWWIYSA-N 0 3 329.419 3.870 20 10 EHCDHN CC[C@@H]([NH2+]CC1(CC(=O)NC)CCCCC1)c1ccc(C)cc1[O-] ZINC000850556580 1136284903 /nfs/dbraw/zinc/28/49/03/1136284903.db2.gz RMVPXVVIXDPGAE-QGZVFWFLSA-N 0 3 332.488 3.828 20 10 EHCDHN Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000850567882 1136288016 /nfs/dbraw/zinc/28/80/16/1136288016.db2.gz LHLQRPIMNOAOQR-HNNXBMFYSA-N 0 3 330.497 3.868 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000850580292 1136292311 /nfs/dbraw/zinc/29/23/11/1136292311.db2.gz JYHATWINWVBBAF-DOTOQJQBSA-N 0 3 339.357 3.892 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000814178367 1136412097 /nfs/dbraw/zinc/41/20/97/1136412097.db2.gz NFHNIRYUFFNMCV-HNNXBMFYSA-N 0 3 334.822 3.862 20 10 EHCDHN Oc1cccc2c1[C@H](N[C@@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000853243059 1136521682 /nfs/dbraw/zinc/52/16/82/1136521682.db2.gz WUINSCDNYYUXQD-IAGOWNOFSA-N 0 3 331.419 3.842 20 10 EHCDHN COc1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc1OC ZINC000815013640 1136537853 /nfs/dbraw/zinc/53/78/53/1136537853.db2.gz WYZXKWBDZCMUAJ-UHFFFAOYSA-N 0 3 328.456 3.710 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000815048219 1136539752 /nfs/dbraw/zinc/53/97/52/1136539752.db2.gz MXXNPVKVDXYWMQ-HXUWFJFHSA-N 0 3 343.442 3.880 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000815048219 1136539756 /nfs/dbraw/zinc/53/97/56/1136539756.db2.gz MXXNPVKVDXYWMQ-HXUWFJFHSA-N 0 3 343.442 3.880 20 10 EHCDHN CCOc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c([O-])c1 ZINC000815153140 1136558072 /nfs/dbraw/zinc/55/80/72/1136558072.db2.gz ICVPFSZJVWGICM-UHFFFAOYSA-N 0 3 341.329 3.821 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000815620490 1136619997 /nfs/dbraw/zinc/61/99/97/1136619997.db2.gz SKMOJCSXPRHOEE-XERREHJYSA-N 0 3 343.442 3.965 20 10 EHCDHN Cc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])nc(N2CCCC2)n1 ZINC000816617282 1136741495 /nfs/dbraw/zinc/74/14/95/1136741495.db2.gz UAGYAHBHYZYHQM-UHFFFAOYSA-N 0 3 348.450 3.534 20 10 EHCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170860334 1136793556 /nfs/dbraw/zinc/79/35/56/1136793556.db2.gz YLKRFSRIRNBSFY-OAHLLOKOSA-N 0 3 348.240 3.507 20 10 EHCDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000817979677 1136854949 /nfs/dbraw/zinc/85/49/49/1136854949.db2.gz MPKUXFVKOSTACR-MAUKXSAKSA-N 0 3 337.458 3.715 20 10 EHCDHN CN(C)c1cc(F)c(CNC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000858086292 1136938413 /nfs/dbraw/zinc/93/84/13/1136938413.db2.gz FMJLSABFNVEMRF-GOSISDBHSA-N 0 3 349.425 3.551 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@@H](C)c3nc(C)cs3)C2)cc1 ZINC000858427377 1136966873 /nfs/dbraw/zinc/96/68/73/1136966873.db2.gz FOPYFRFXWCYJST-LSDHHAIUSA-N 0 3 331.485 3.637 20 10 EHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C ZINC000824815694 1137153438 /nfs/dbraw/zinc/15/34/38/1137153438.db2.gz WYSJJCDQRHAGSZ-IIBYNOLFSA-N 0 3 341.451 3.828 20 10 EHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C ZINC000824815694 1137153439 /nfs/dbraw/zinc/15/34/39/1137153439.db2.gz WYSJJCDQRHAGSZ-IIBYNOLFSA-N 0 3 341.451 3.828 20 10 EHCDHN Clc1ccc(C2CN(Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000824988726 1137161197 /nfs/dbraw/zinc/16/11/97/1137161197.db2.gz RNKWBVTUBCODHT-UHFFFAOYSA-N 0 3 342.870 3.776 20 10 EHCDHN Oc1ccccc1CN(Cc1cc2n(n1)CCC2)C1CCCCC1 ZINC000844297708 1137210065 /nfs/dbraw/zinc/21/00/65/1137210065.db2.gz SDJJFRKZXJAZIV-UHFFFAOYSA-N 0 3 325.456 3.870 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)O[C@H](C4CC4)C3)c2c1 ZINC000794647084 1137220602 /nfs/dbraw/zinc/22/06/02/1137220602.db2.gz KMPLKRATGSDYNA-XCLFUZPHSA-N 0 3 327.424 3.553 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)O[C@H](C4CC4)C3)c2c1 ZINC000794647084 1137220604 /nfs/dbraw/zinc/22/06/04/1137220604.db2.gz KMPLKRATGSDYNA-XCLFUZPHSA-N 0 3 327.424 3.553 20 10 EHCDHN CC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000794693387 1137234151 /nfs/dbraw/zinc/23/41/51/1137234151.db2.gz IQXDPVTYOMLWBQ-YLJYHZDGSA-N 0 3 333.472 3.594 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc(C)cc1[O-] ZINC000794798083 1137251690 /nfs/dbraw/zinc/25/16/90/1137251690.db2.gz SQIANYLTDKTBDQ-AZUAARDMSA-N 0 3 326.484 3.914 20 10 EHCDHN CC[C@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794806655 1137257259 /nfs/dbraw/zinc/25/72/59/1137257259.db2.gz UKSZESONRBADAO-IBGZPJMESA-N 0 3 340.467 3.790 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794812971 1137262333 /nfs/dbraw/zinc/26/23/33/1137262333.db2.gz ADSPRPDNBOIQJU-GDBMZVCRSA-N 0 3 336.476 3.902 20 10 EHCDHN CC[C@H]([NH2+][C@@H](C)C1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000794815098 1137262688 /nfs/dbraw/zinc/26/26/88/1137262688.db2.gz NDTFBVJWQVTMHQ-YOEHRIQHSA-N 0 3 334.460 3.608 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000794830980 1137268215 /nfs/dbraw/zinc/26/82/15/1137268215.db2.gz AXNGIFQNAPVSEF-SMDDNHRTSA-N 0 3 342.277 3.665 20 10 EHCDHN CN(C)C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000865655118 1137302215 /nfs/dbraw/zinc/30/22/15/1137302215.db2.gz AMXQWSFLCVAWIP-MRXNPFEDSA-N 0 3 338.373 3.804 20 10 EHCDHN CC[C@H](NCc1cccc(OC)c1O)c1cccc(OC)c1OC ZINC000865758234 1137309134 /nfs/dbraw/zinc/30/91/34/1137309134.db2.gz APHRVOJBSBQTIC-HNNXBMFYSA-N 0 3 331.412 3.659 20 10 EHCDHN COc1cc(Br)cc(CN2CCC23CCCC3)c1O ZINC000846000528 1137324376 /nfs/dbraw/zinc/32/43/76/1137324376.db2.gz SKCRJWPBIFBATK-UHFFFAOYSA-N 0 3 326.234 3.682 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846056612 1137327466 /nfs/dbraw/zinc/32/74/66/1137327466.db2.gz PRARGBRDJXHTMC-UHFFFAOYSA-N 0 3 348.450 3.563 20 10 EHCDHN COCCOc1cc(C)ccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846151387 1137336425 /nfs/dbraw/zinc/33/64/25/1137336425.db2.gz XOHBVAPNGPOECE-HNNXBMFYSA-N 0 3 345.439 3.585 20 10 EHCDHN COc1cccc2c1OCCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000866252590 1137339650 /nfs/dbraw/zinc/33/96/50/1137339650.db2.gz LMYNLMGNFWOTOC-KRWDZBQOSA-N 0 3 325.408 3.634 20 10 EHCDHN CC(C)[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000866391809 1137351047 /nfs/dbraw/zinc/35/10/47/1137351047.db2.gz QBBPXRPFIJSWCV-NRFANRHFSA-N 0 3 339.483 3.530 20 10 EHCDHN CCc1ccccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772949893 1137362952 /nfs/dbraw/zinc/36/29/52/1137362952.db2.gz YPXGEKJIDJZAQF-HNNXBMFYSA-N 0 3 325.456 3.604 20 10 EHCDHN Cc1cc(O)c(CN(C)Cc2cc(Br)cn2C)cc1C ZINC000122722361 1137463878 /nfs/dbraw/zinc/46/38/78/1137463878.db2.gz XEFDJQIBDXRZDV-UHFFFAOYSA-N 0 3 337.261 3.742 20 10 EHCDHN CCOc1ccc(N2CCN([C@H](C)CCO[C@@H](C)CC)CC2)cc1 ZINC001172348808 1137553415 /nfs/dbraw/zinc/55/34/15/1137553415.db2.gz ROBRZPFTRHKSFW-MSOLQXFVSA-N 0 3 334.504 3.801 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)c([O-])c1 ZINC000877056113 1137668831 /nfs/dbraw/zinc/66/88/31/1137668831.db2.gz YPPVDBRTOFLTKJ-VQIMIIECSA-N 0 3 330.497 3.935 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000877056108 1137668883 /nfs/dbraw/zinc/66/88/83/1137668883.db2.gz YPPVDBRTOFLTKJ-APWZRJJASA-N 0 3 330.497 3.935 20 10 EHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000877532418 1137680010 /nfs/dbraw/zinc/68/00/10/1137680010.db2.gz GCAGUKSCASQLRR-INIZCTEOSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cccc(CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1O ZINC000877664883 1137684967 /nfs/dbraw/zinc/68/49/67/1137684967.db2.gz XEWAFMMOOHFIOJ-OAHLLOKOSA-N 0 3 325.330 3.543 20 10 EHCDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000877755954 1137688126 /nfs/dbraw/zinc/68/81/26/1137688126.db2.gz UVTUIHCWIKUILK-HZSPNIEDSA-N 0 3 341.398 3.800 20 10 EHCDHN CCCC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1cc(C)on1 ZINC000879648320 1137753447 /nfs/dbraw/zinc/75/34/47/1137753447.db2.gz JTVSXPJZQHJDMP-HIFRSBDPSA-N 0 3 331.416 3.537 20 10 EHCDHN COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[O-])cc1Cl ZINC000879650569 1137753852 /nfs/dbraw/zinc/75/38/52/1137753852.db2.gz HWQHRTFJUVCHBE-LBPRGKRZSA-N 0 3 348.830 3.734 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)c2c1 ZINC000884483265 1137961038 /nfs/dbraw/zinc/96/10/38/1137961038.db2.gz QMETYIMRDDAYTA-MGPUTAFESA-N 0 3 327.424 3.555 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)c2c1 ZINC000884483265 1137961039 /nfs/dbraw/zinc/96/10/39/1137961039.db2.gz QMETYIMRDDAYTA-MGPUTAFESA-N 0 3 327.424 3.555 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000886603332 1138101118 /nfs/dbraw/zinc/10/11/18/1138101118.db2.gz LPVVJFVGNKLERS-DOTOQJQBSA-N 0 3 328.431 3.704 20 10 EHCDHN CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000090846446 1138213823 /nfs/dbraw/zinc/21/38/23/1138213823.db2.gz RZYMKWSMBFJRIK-OAHLLOKOSA-N 0 3 328.504 3.852 20 10 EHCDHN CC(C)(C)[S@@](=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265284157 1138795497 /nfs/dbraw/zinc/79/54/97/1138795497.db2.gz JFTWLMXOYAPJLY-QHCPKHFHSA-N 0 3 331.481 3.696 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000151038320 1139002128 /nfs/dbraw/zinc/00/21/28/1139002128.db2.gz AYFXDVHBASVGHL-KRWDZBQOSA-N 0 3 338.499 3.989 20 10 EHCDHN CCOc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000152638764 1139101833 /nfs/dbraw/zinc/10/18/33/1139101833.db2.gz FJNQVPGRBBXEAZ-AWEZNQCLSA-N 0 3 343.427 3.910 20 10 EHCDHN Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cc(F)ccc3[O-])cn2)n1 ZINC000185058207 1140134344 /nfs/dbraw/zinc/13/43/44/1140134344.db2.gz MOQPIEWPZRXEEU-AWEZNQCLSA-N 0 3 340.402 3.580 20 10 EHCDHN COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000185312581 1140144240 /nfs/dbraw/zinc/14/42/40/1140144240.db2.gz LJJKPJVGSFQQMX-IAGOWNOFSA-N 0 3 340.467 3.886 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c([O-])c1 ZINC000186020781 1140182848 /nfs/dbraw/zinc/18/28/48/1140182848.db2.gz NEFVCGMLISVRGV-INIZCTEOSA-N 0 3 338.451 3.674 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c1[O-] ZINC000187233814 1140245799 /nfs/dbraw/zinc/24/57/99/1140245799.db2.gz GNPMJIYBZHSFAB-WCQGTBRESA-N 0 3 330.266 3.521 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271224771 1141327545 /nfs/dbraw/zinc/32/75/45/1141327545.db2.gz ACKRIICHIPLTGF-CRAIPNDOSA-N 0 3 332.419 3.573 20 10 EHCDHN Cc1cc(O)c(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C ZINC000160180515 1014202912 /nfs/dbraw/zinc/20/29/12/1014202912.db2.gz HUJJXUCHFBYSEW-IBGZPJMESA-N 0 3 341.451 3.896 20 10 EHCDHN Cc1cc(O)c(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1C ZINC000160180515 1014202916 /nfs/dbraw/zinc/20/29/16/1014202916.db2.gz HUJJXUCHFBYSEW-IBGZPJMESA-N 0 3 341.451 3.896 20 10 EHCDHN C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224379 994340892 /nfs/dbraw/zinc/34/08/92/994340892.db2.gz QGJCKAFHCKUJQL-ODIFPOPNSA-N 0 3 346.471 3.538 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000183113474 1032134262 /nfs/dbraw/zinc/13/42/62/1032134262.db2.gz RZCZXOVMNVNULR-OAQYLSRUSA-N 0 3 339.435 3.584 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000183113474 1032134269 /nfs/dbraw/zinc/13/42/69/1032134269.db2.gz RZCZXOVMNVNULR-OAQYLSRUSA-N 0 3 339.435 3.584 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccccc1[O-] ZINC000155135625 1016198546 /nfs/dbraw/zinc/19/85/46/1016198546.db2.gz OZKAYCLEDOQCAL-CQSZACIVSA-N 0 3 340.345 3.969 20 10 EHCDHN CCN1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000275299905 1016335547 /nfs/dbraw/zinc/33/55/47/1016335547.db2.gz HUXWTRDRVQINFR-GFCCVEGCSA-N 0 3 341.293 3.598 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000155348195 1016533476 /nfs/dbraw/zinc/53/34/76/1016533476.db2.gz KDWCUUPTMAJKHR-SUMWQHHRSA-N 0 3 333.453 3.598 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000275392910 1016677897 /nfs/dbraw/zinc/67/78/97/1016677897.db2.gz YVDQZBRKCIONGU-AVGNSLFASA-N 0 3 342.277 3.929 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1cc(CO)ccc1F)C1CCCC1 ZINC000528380440 1032191856 /nfs/dbraw/zinc/19/18/56/1032191856.db2.gz JVQXNIFSVVISTR-UHFFFAOYSA-N 0 3 329.415 3.968 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1cc(CO)ccc1F)C1CCCC1 ZINC000528380440 1032191861 /nfs/dbraw/zinc/19/18/61/1032191861.db2.gz JVQXNIFSVVISTR-UHFFFAOYSA-N 0 3 329.415 3.968 20 10 EHCDHN COc1ccc(OC)c([C@@H](C)NCc2cc(C)cc(OC)c2O)c1 ZINC000894150207 1018716147 /nfs/dbraw/zinc/71/61/47/1018716147.db2.gz WNBNKFPKCJKRCO-CYBMUJFWSA-N 0 3 331.412 3.577 20 10 EHCDHN CCN(CC)c1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1F ZINC000280075361 1020063625 /nfs/dbraw/zinc/06/36/25/1020063625.db2.gz LHRUJDWKXYKVJI-QGZVFWFLSA-N 0 3 330.451 3.573 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)c1[O-] ZINC000834902335 1021094546 /nfs/dbraw/zinc/09/45/46/1021094546.db2.gz GXARTRZOFRCYOQ-OLZOCXBDSA-N 0 3 342.277 3.930 20 10 EHCDHN CCCN(CCN(C)C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000729432946 1021176039 /nfs/dbraw/zinc/17/60/39/1021176039.db2.gz PSXMOWNQVXTGLH-UHFFFAOYSA-N 0 3 327.472 3.508 20 10 EHCDHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000310028375 1021990247 /nfs/dbraw/zinc/99/02/47/1021990247.db2.gz QWKPSSUOYMGNNF-GDBMZVCRSA-N 0 3 334.460 3.660 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc3c(c2)OCCO3)cc1 ZINC000178209089 1022165918 /nfs/dbraw/zinc/16/59/18/1022165918.db2.gz MSFAHVSOZLCHPG-HNNXBMFYSA-N 0 3 326.440 3.765 20 10 EHCDHN C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1c([O-])ccc2ccccc21 ZINC000176125698 1023183895 /nfs/dbraw/zinc/18/38/95/1023183895.db2.gz IUGXSFRXYPQETN-DEOSSOPVSA-N 0 3 339.460 3.915 20 10 EHCDHN C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1c([O-])ccc2ccccc21 ZINC000176125698 1023183903 /nfs/dbraw/zinc/18/39/03/1023183903.db2.gz IUGXSFRXYPQETN-DEOSSOPVSA-N 0 3 339.460 3.915 20 10 EHCDHN Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c([O-])c1 ZINC000897264819 1026608780 /nfs/dbraw/zinc/60/87/80/1026608780.db2.gz MFLPQMCLBAXWRT-LJQANCHMSA-N 0 3 339.435 3.551 20 10 EHCDHN COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc(OC)c1OC ZINC000272872568 1027159122 /nfs/dbraw/zinc/15/91/22/1027159122.db2.gz OVRHNFNLRSIUQI-STQMWFEESA-N 0 3 331.412 3.830 20 10 EHCDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000273595923 1027511022 /nfs/dbraw/zinc/51/10/22/1027511022.db2.gz QOHDXJMVNNHZHG-CYBMUJFWSA-N 0 3 330.384 3.777 20 10 EHCDHN Cc1cccc(CN[C@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897331527 1028328757 /nfs/dbraw/zinc/32/87/57/1028328757.db2.gz SHPXJPBDCWAKEN-OAHLLOKOSA-N 0 3 325.330 3.543 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000274923312 1029851032 /nfs/dbraw/zinc/85/10/32/1029851032.db2.gz PPJPUVLKCRKIST-INIZCTEOSA-N 0 3 334.460 3.832 20 10 EHCDHN Cc1ccc(O)c(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000278658221 1031855564 /nfs/dbraw/zinc/85/55/64/1031855564.db2.gz GJTSEOASAFZZDX-UHFFFAOYSA-N 0 3 340.301 3.917 20 10 EHCDHN CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000898101825 1033350730 /nfs/dbraw/zinc/35/07/30/1033350730.db2.gz ZHSYGGPFTFYWKK-DZKIICNBSA-N 0 3 334.460 3.736 20 10 EHCDHN CCOc1ccc(O)c(CN[C@H](C)c2cnn(CC3CCC3)c2)c1 ZINC000898178137 1033379759 /nfs/dbraw/zinc/37/97/59/1033379759.db2.gz YKFPSSOJXVBIJD-CQSZACIVSA-N 0 3 329.444 3.638 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1cc(F)ccc1[O-] ZINC000310311548 1034327097 /nfs/dbraw/zinc/32/70/97/1034327097.db2.gz UCKXINOVGGTEMY-KHYOSLBOSA-N 0 3 328.431 3.845 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1[O-] ZINC000761202078 1034413313 /nfs/dbraw/zinc/41/33/13/1034413313.db2.gz KNIGIWDTDZWXJP-INIZCTEOSA-N 0 3 339.863 3.978 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1[O-] ZINC000761202078 1034413323 /nfs/dbraw/zinc/41/33/23/1034413323.db2.gz KNIGIWDTDZWXJP-INIZCTEOSA-N 0 3 339.863 3.978 20 10 EHCDHN CCCCn1cc(CNCc2cc(Cl)cc(OC)c2O)c(C)n1 ZINC000761214239 1034573545 /nfs/dbraw/zinc/57/35/45/1034573545.db2.gz AJGLPHAQYLOCQG-UHFFFAOYSA-N 0 3 337.851 3.649 20 10 EHCDHN CCCCn1cc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c(C)n1 ZINC000761214239 1034573551 /nfs/dbraw/zinc/57/35/51/1034573551.db2.gz AJGLPHAQYLOCQG-UHFFFAOYSA-N 0 3 337.851 3.649 20 10 EHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cncc(Br)c1 ZINC000172188811 1034854714 /nfs/dbraw/zinc/85/47/14/1034854714.db2.gz ADFOJCBVKPJBCC-UHFFFAOYSA-N 0 3 348.288 3.932 20 10 EHCDHN CCN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179644940 1037876143 /nfs/dbraw/zinc/87/61/43/1037876143.db2.gz BZRGVXMSRXJUCI-KRWDZBQOSA-N 0 3 340.467 3.824 20 10 EHCDHN CCN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179644940 1037876169 /nfs/dbraw/zinc/87/61/69/1037876169.db2.gz BZRGVXMSRXJUCI-KRWDZBQOSA-N 0 3 340.467 3.824 20 10 EHCDHN C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854546 1038689276 /nfs/dbraw/zinc/68/92/76/1038689276.db2.gz MDVNIRIVFTZXAP-SRVKXCTJSA-N 0 3 329.271 3.976 20 10 EHCDHN C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000363854546 1038689279 /nfs/dbraw/zinc/68/92/79/1038689279.db2.gz MDVNIRIVFTZXAP-SRVKXCTJSA-N 0 3 329.271 3.976 20 10 EHCDHN Cc1cc(O)c(CN2CCN(c3ccccc3O)CC2)cc1C(C)C ZINC000015250719 1038973629 /nfs/dbraw/zinc/97/36/29/1038973629.db2.gz IAZWQTXOJQWXSK-UHFFFAOYSA-N 0 3 340.467 3.852 20 10 EHCDHN O=c1[nH]c2ccc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cc2[nH]1 ZINC000894018294 1039963452 /nfs/dbraw/zinc/96/34/52/1039963452.db2.gz ZOPOSVONKBGEOZ-UHFFFAOYSA-N 0 3 337.423 3.919 20 10 EHCDHN O=c1[nH]c2ccc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cc2[nH]1 ZINC000894018294 1039963469 /nfs/dbraw/zinc/96/34/69/1039963469.db2.gz ZOPOSVONKBGEOZ-UHFFFAOYSA-N 0 3 337.423 3.919 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657892 1040872580 /nfs/dbraw/zinc/87/25/80/1040872580.db2.gz NPXQGWNRBWELKJ-WDEREUQCSA-N 0 3 329.271 3.834 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000249172484 1040918140 /nfs/dbraw/zinc/91/81/40/1040918140.db2.gz CMCGIEYTEYFOMU-WOSRLPQWSA-N 0 3 331.378 3.835 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCCn3ccnc3C)c2c1 ZINC000162830469 1042589749 /nfs/dbraw/zinc/58/97/49/1042589749.db2.gz OPVXMMKFPTUNCX-UHFFFAOYSA-N 0 3 339.439 3.581 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCCn3ccnc3C)c2c1 ZINC000162830469 1042589755 /nfs/dbraw/zinc/58/97/55/1042589755.db2.gz OPVXMMKFPTUNCX-UHFFFAOYSA-N 0 3 339.439 3.581 20 10 EHCDHN C[C@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1cc(F)ccc1[O-] ZINC000184987259 1126728363 /nfs/dbraw/zinc/72/83/63/1126728363.db2.gz PRWXWBDEIYQAIR-AWEZNQCLSA-N 0 3 325.387 3.627 20 10 EHCDHN CN(C)c1ccccc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072629249 1126813088 /nfs/dbraw/zinc/81/30/88/1126813088.db2.gz PBXCDYBQQVBPIH-IBGZPJMESA-N 0 3 340.467 3.639 20 10 EHCDHN CN(C)c1ccccc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072629249 1126813090 /nfs/dbraw/zinc/81/30/90/1126813090.db2.gz PBXCDYBQQVBPIH-IBGZPJMESA-N 0 3 340.467 3.639 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185293040 1126859285 /nfs/dbraw/zinc/85/92/85/1126859285.db2.gz WJLBVRLBDMDIGI-JKSUJKDBSA-N 0 3 348.487 3.998 20 10 EHCDHN CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Br)ccc1[O-] ZINC000083526330 1127641555 /nfs/dbraw/zinc/64/15/55/1127641555.db2.gz FQZZJZGUONYBMS-AWEZNQCLSA-N 0 3 343.309 3.783 20 10 EHCDHN Cn1cc(C[N@H+](Cc2c([O-])ccc3ccccc32)C2CCCC2)nn1 ZINC000761681750 1120791467 /nfs/dbraw/zinc/79/14/67/1120791467.db2.gz WGEUPZMZAPONSJ-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN Cn1cc(C[N@@H+](Cc2c([O-])ccc3ccccc32)C2CCCC2)nn1 ZINC000761681750 1120791470 /nfs/dbraw/zinc/79/14/70/1120791470.db2.gz WGEUPZMZAPONSJ-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN Cn1cc(CN(Cc2c(O)ccc3ccccc32)C2CCCC2)nn1 ZINC000761681750 1120791472 /nfs/dbraw/zinc/79/14/72/1120791472.db2.gz WGEUPZMZAPONSJ-UHFFFAOYSA-N 0 3 336.439 3.619 20 10 EHCDHN C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccccc1[O-] ZINC000154213914 1122372925 /nfs/dbraw/zinc/37/29/25/1122372925.db2.gz YUKIHAKTPXLAPR-SNVBAGLBSA-N 0 3 326.227 3.857 20 10 EHCDHN CN(C)c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000920257400 1123344792 /nfs/dbraw/zinc/34/47/92/1123344792.db2.gz SWYNUNRFCJUNRG-IBGZPJMESA-N 0 3 338.451 3.861 20 10 EHCDHN Cc1cc(C(=O)NCCN2CCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000920433015 1123373338 /nfs/dbraw/zinc/37/33/38/1123373338.db2.gz JDEUYSKLBMMUFD-UHFFFAOYSA-N 0 3 345.874 3.573 20 10 EHCDHN OCC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC000922128328 1129134578 /nfs/dbraw/zinc/13/45/78/1129134578.db2.gz ZUHNBMTWYRWYMW-GOSISDBHSA-N 0 3 331.843 3.878 20 10 EHCDHN CCN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179644954 1123811832 /nfs/dbraw/zinc/81/18/32/1123811832.db2.gz BZRGVXMSRXJUCI-QGZVFWFLSA-N 0 3 340.467 3.824 20 10 EHCDHN CCN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179644954 1123811842 /nfs/dbraw/zinc/81/18/42/1123811842.db2.gz BZRGVXMSRXJUCI-QGZVFWFLSA-N 0 3 340.467 3.824 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC000700753459 1130064851 /nfs/dbraw/zinc/06/48/51/1130064851.db2.gz LDZXJJKGHKCELE-IJEWVQPXSA-N 0 3 334.460 3.749 20 10 EHCDHN C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000732204917 1130899696 /nfs/dbraw/zinc/89/96/96/1130899696.db2.gz GHZKRPVOEVGNJN-CALCHBBNSA-N 0 3 344.499 3.641 20 10 EHCDHN C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000732204917 1130899702 /nfs/dbraw/zinc/89/97/02/1130899702.db2.gz GHZKRPVOEVGNJN-CALCHBBNSA-N 0 3 344.499 3.641 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000740010537 1131517952 /nfs/dbraw/zinc/51/79/52/1131517952.db2.gz DYBSGOQIRDNZME-IBGZPJMESA-N 0 3 325.433 3.944 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000740899785 1131555421 /nfs/dbraw/zinc/55/54/21/1131555421.db2.gz SOSPEVOIVJOEAF-CQSZACIVSA-N 0 3 342.222 3.531 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC001173052125 1131943930 /nfs/dbraw/zinc/94/39/30/1131943930.db2.gz CQRUZGFJVMGCOI-RRFJBIMHSA-N 0 3 334.460 3.831 20 10 EHCDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(O)c1[O-] ZINC001173079155 1131960571 /nfs/dbraw/zinc/96/05/71/1131960571.db2.gz MSSJTKJRXOXQJE-LLVKDONJSA-N 0 3 341.329 3.717 20 10 EHCDHN CCOC(=O)[C@H]1CC12CCC([NH2+]Cc1c(C)cc(C)cc1[O-])CC2 ZINC001173604080 1132103319 /nfs/dbraw/zinc/10/33/19/1132103319.db2.gz KRHAEVLVJYTZFD-RYZJOYRSSA-N 0 3 331.456 3.611 20 10 EHCDHN C[C@H](NCC(=O)NCCCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC001169461106 1132767325 /nfs/dbraw/zinc/76/73/25/1132767325.db2.gz CVECVYSZNOLJHU-KRWDZBQOSA-N 0 3 345.531 3.880 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768243064 1133120278 /nfs/dbraw/zinc/12/02/78/1133120278.db2.gz GUCXGGWMWMBPBX-MRXNPFEDSA-N 0 3 330.859 3.752 20 10 EHCDHN CN(Cc1c([O-])cccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768243064 1133120282 /nfs/dbraw/zinc/12/02/82/1133120282.db2.gz GUCXGGWMWMBPBX-MRXNPFEDSA-N 0 3 330.859 3.752 20 10 EHCDHN CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438518 1133138122 /nfs/dbraw/zinc/13/81/22/1133138122.db2.gz AYEWDGLRFFSSOC-LIRRHRJNSA-N 0 3 327.424 3.619 20 10 EHCDHN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438518 1133138124 /nfs/dbraw/zinc/13/81/24/1133138124.db2.gz AYEWDGLRFFSSOC-LIRRHRJNSA-N 0 3 327.424 3.619 20 10 EHCDHN COc1cc(O)c(CN(Cc2ccccc2F)C(C)C)cc1OC ZINC000768439747 1133139312 /nfs/dbraw/zinc/13/93/12/1133139312.db2.gz IUPRIKZOXWPHGA-UHFFFAOYSA-N 0 3 333.403 3.959 20 10 EHCDHN Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768462127 1133144083 /nfs/dbraw/zinc/14/40/83/1133144083.db2.gz JVBMPCMYSKXUOU-AZUAARDMSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@H]3O)c1 ZINC000768462127 1133144087 /nfs/dbraw/zinc/14/40/87/1133144087.db2.gz JVBMPCMYSKXUOU-AZUAARDMSA-N 0 3 339.435 3.772 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000773812580 1133240942 /nfs/dbraw/zinc/24/09/42/1133240942.db2.gz RNGDFMQTRDOSBE-CMJOXMDJSA-N 0 3 330.497 3.731 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)CC)c([O-])c1 ZINC000769499255 1133302626 /nfs/dbraw/zinc/30/26/26/1133302626.db2.gz QFVUZZRBCSAHFB-GOSISDBHSA-N 0 3 329.440 3.564 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)CC)c([O-])c1 ZINC000769499255 1133302630 /nfs/dbraw/zinc/30/26/30/1133302630.db2.gz QFVUZZRBCSAHFB-GOSISDBHSA-N 0 3 329.440 3.564 20 10 EHCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000771382937 1133542131 /nfs/dbraw/zinc/54/21/31/1133542131.db2.gz IMRQTDNYPZAKGU-HNNXBMFYSA-N 0 3 343.446 3.525 20 10 EHCDHN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C12CCC2 ZINC001182249279 1133602136 /nfs/dbraw/zinc/60/21/36/1133602136.db2.gz FEQDYNUYKDKXNZ-ZIAGYGMSSA-N 0 3 340.261 3.510 20 10 EHCDHN Cc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774484938 1133688048 /nfs/dbraw/zinc/68/80/48/1133688048.db2.gz UBAWUHVPENQVAQ-HOTGVXAUSA-N 0 3 325.456 3.739 20 10 EHCDHN CN(C)c1cc(F)c(CNC(C)(C)[C@H](O)c2ccccc2)cc1F ZINC001183500950 1133817102 /nfs/dbraw/zinc/81/71/02/1133817102.db2.gz VMENJUOVWGIEIL-GOSISDBHSA-N 0 3 334.410 3.633 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000787331366 1133990385 /nfs/dbraw/zinc/99/03/85/1133990385.db2.gz IGSBNVLAXBUJKB-OAHLLOKOSA-N 0 3 344.213 3.970 20 10 EHCDHN COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000787333846 1133991002 /nfs/dbraw/zinc/99/10/02/1133991002.db2.gz YJEFXSBVMOWWEL-HNNXBMFYSA-N 0 3 349.814 3.594 20 10 EHCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788547840 1134141232 /nfs/dbraw/zinc/14/12/32/1134141232.db2.gz PEUXSRWNDGIHLN-CQSZACIVSA-N 0 3 342.443 3.874 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c([O-])c1 ZINC000788637985 1134154534 /nfs/dbraw/zinc/15/45/34/1134154534.db2.gz DQZMBSJYPJZFHB-OAHLLOKOSA-N 0 3 334.460 3.669 20 10 EHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)C1CCCCC1 ZINC000789348815 1134253912 /nfs/dbraw/zinc/25/39/12/1134253912.db2.gz RDMPWWHMJMVVCD-HXUWFJFHSA-N 0 3 329.440 3.929 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)C1CCCCC1 ZINC000789348815 1134253914 /nfs/dbraw/zinc/25/39/14/1134253914.db2.gz RDMPWWHMJMVVCD-HXUWFJFHSA-N 0 3 329.440 3.929 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)C1CCCCC1 ZINC000789348815 1134253918 /nfs/dbraw/zinc/25/39/18/1134253918.db2.gz RDMPWWHMJMVVCD-HXUWFJFHSA-N 0 3 329.440 3.929 20 10 EHCDHN COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000789585974 1134298896 /nfs/dbraw/zinc/29/88/96/1134298896.db2.gz ICGHNJMSXCSTBG-QGZVFWFLSA-N 0 3 349.858 3.744 20 10 EHCDHN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000789585974 1134298900 /nfs/dbraw/zinc/29/89/00/1134298900.db2.gz ICGHNJMSXCSTBG-QGZVFWFLSA-N 0 3 349.858 3.744 20 10 EHCDHN COc1cccc(O)c1CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000789761490 1134327664 /nfs/dbraw/zinc/32/76/64/1134327664.db2.gz HSNUMTYJOAVDLL-UHFFFAOYSA-N 0 3 343.398 3.635 20 10 EHCDHN C[C@H]([NH2+]CCOc1cccc(Br)c1)c1ccccc1[O-] ZINC000775128379 1134346590 /nfs/dbraw/zinc/34/65/90/1134346590.db2.gz AKGMEYOPYUPBFT-LBPRGKRZSA-N 0 3 336.229 3.884 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)c1[O-] ZINC000790701757 1134455633 /nfs/dbraw/zinc/45/56/33/1134455633.db2.gz NGLWTOMHDULDTN-ABAIWWIYSA-N 0 3 344.293 3.909 20 10 EHCDHN CCOc1ccc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)c([O-])c1 ZINC000792175649 1134663722 /nfs/dbraw/zinc/66/37/22/1134663722.db2.gz VYOCQGOXNLGDPM-UHFFFAOYSA-N 0 3 343.423 3.670 20 10 EHCDHN CCOc1ccc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)c([O-])c1 ZINC000792175649 1134663725 /nfs/dbraw/zinc/66/37/25/1134663725.db2.gz VYOCQGOXNLGDPM-UHFFFAOYSA-N 0 3 343.423 3.670 20 10 EHCDHN CO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793073584 1134847083 /nfs/dbraw/zinc/84/70/83/1134847083.db2.gz LEUJXFHSGWSYMA-OAHLLOKOSA-N 0 3 330.394 3.772 20 10 EHCDHN CN(C)c1ccc(CN2CCC23CCOCC3)c(C(F)(F)F)c1 ZINC000793187530 1134870626 /nfs/dbraw/zinc/87/06/26/1134870626.db2.gz XHMCEKOTTHEMJO-UHFFFAOYSA-N 0 3 328.378 3.526 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000793347073 1134903163 /nfs/dbraw/zinc/90/31/63/1134903163.db2.gz PFKNRVUXRUEVDN-GHMZBOCLSA-N 0 3 328.250 3.689 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)c([O-])c1 ZINC000793387266 1134921267 /nfs/dbraw/zinc/92/12/67/1134921267.db2.gz BOKYCRZQFZALGN-UHFFFAOYSA-N 0 3 328.799 3.892 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000793609693 1134971446 /nfs/dbraw/zinc/97/14/46/1134971446.db2.gz RFZKAFLANIIUGY-CABCVRRESA-N 0 3 340.261 3.607 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000793609693 1134971451 /nfs/dbraw/zinc/97/14/51/1134971451.db2.gz RFZKAFLANIIUGY-CABCVRRESA-N 0 3 340.261 3.607 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@H](C4CCC4)C3)c2c1 ZINC000793747246 1134988638 /nfs/dbraw/zinc/98/86/38/1134988638.db2.gz OFLRELTXKVCMQV-QGZVFWFLSA-N 0 3 341.451 3.803 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@H](C4CCC4)C3)c2c1 ZINC000793747246 1134988639 /nfs/dbraw/zinc/98/86/39/1134988639.db2.gz OFLRELTXKVCMQV-QGZVFWFLSA-N 0 3 341.451 3.803 20 10 EHCDHN COC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000775654755 1135424950 /nfs/dbraw/zinc/42/49/50/1135424950.db2.gz ONOZASAXHQVIEL-UHFFFAOYSA-N 0 3 333.815 3.773 20 10 EHCDHN COC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000775654755 1135424954 /nfs/dbraw/zinc/42/49/54/1135424954.db2.gz ONOZASAXHQVIEL-UHFFFAOYSA-N 0 3 333.815 3.773 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1[O-] ZINC000808676624 1135714193 /nfs/dbraw/zinc/71/41/93/1135714193.db2.gz OXEMSUVHGPVSAM-NSHDSACASA-N 0 3 338.801 3.889 20 10 EHCDHN CC(C)O[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1(C)C ZINC001201888646 1136070893 /nfs/dbraw/zinc/07/08/93/1136070893.db2.gz JNCKTJFQSFYQDD-IAGOWNOFSA-N 0 3 326.431 3.713 20 10 EHCDHN CC1(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])OCCO1 ZINC000776265662 1136125510 /nfs/dbraw/zinc/12/55/10/1136125510.db2.gz OOBKLVQVNQKMDW-LJQANCHMSA-N 0 3 341.451 3.809 20 10 EHCDHN CC1CCN(c2ccc(CNCc3c(C4CC4)cnn3C)cc2)CC1 ZINC000850129200 1136212932 /nfs/dbraw/zinc/21/29/32/1136212932.db2.gz PUWAVXGPWBZWTK-UHFFFAOYSA-N 0 3 338.499 3.824 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c([O-])c1 ZINC000850356161 1136240265 /nfs/dbraw/zinc/24/02/65/1136240265.db2.gz RZCJRQMCWNGDET-INIZCTEOSA-N 0 3 347.377 3.771 20 10 EHCDHN CC(C)[C@H](O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850395001 1136248102 /nfs/dbraw/zinc/24/81/02/1136248102.db2.gz LMNFDGJQQPDDLU-UXHICEINSA-N 0 3 330.447 3.740 20 10 EHCDHN CC(C)[C@H](O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000850395000 1136248186 /nfs/dbraw/zinc/24/81/86/1136248186.db2.gz LMNFDGJQQPDDLU-PMACEKPBSA-N 0 3 330.447 3.740 20 10 EHCDHN COC1CC(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000850480628 1136267150 /nfs/dbraw/zinc/26/71/50/1136267150.db2.gz AMBMCPXRHWBYSC-LKSINWNRSA-N 0 3 342.277 3.929 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1[O-] ZINC000850502837 1136272670 /nfs/dbraw/zinc/27/26/70/1136272670.db2.gz RRMRAJNABZQKAS-KNLKSIEXSA-N 0 3 329.893 3.694 20 10 EHCDHN COc1ccc(O)c([C@H](C)NC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850504893 1136273174 /nfs/dbraw/zinc/27/31/74/1136273174.db2.gz HNSFJBLXMNBDSS-MEDUHNTESA-N 0 3 347.377 3.942 20 10 EHCDHN CCC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000850568050 1136287948 /nfs/dbraw/zinc/28/79/48/1136287948.db2.gz OKZICBBVMNQLQV-OAQYLSRUSA-N 0 3 339.483 3.674 20 10 EHCDHN Cc1cc(CN2CCC(Oc3ccc(F)nc3)CC2)ccc1N(C)C ZINC000815101221 1136556386 /nfs/dbraw/zinc/55/63/86/1136556386.db2.gz QVBRLJHXMOAWBU-UHFFFAOYSA-N 0 3 343.446 3.639 20 10 EHCDHN Cc1cc(C)c([C@@H](C)NCc2nc3cc(F)ccc3n2C)c(O)c1 ZINC000815594083 1136616464 /nfs/dbraw/zinc/61/64/64/1136616464.db2.gz FPDNHHPIINFFPZ-CYBMUJFWSA-N 0 3 327.403 3.886 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000815596031 1136616588 /nfs/dbraw/zinc/61/65/88/1136616588.db2.gz IOKSVEFMHMHIJX-NQIIRXRSSA-N 0 3 347.462 3.936 20 10 EHCDHN Cn1nccc1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815616693 1136619495 /nfs/dbraw/zinc/61/94/95/1136619495.db2.gz VZEWFHRDHCWZMT-FQEVSTJZSA-N 0 3 335.451 3.632 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c([O-])c1 ZINC000816631339 1136739320 /nfs/dbraw/zinc/73/93/20/1136739320.db2.gz OENSMQQJAVVGCX-FQEVSTJZSA-N 0 3 341.451 3.784 20 10 EHCDHN COc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1C ZINC000816631039 1136742193 /nfs/dbraw/zinc/74/21/93/1136742193.db2.gz DBYWAVZHGQFFSO-HXUWFJFHSA-N 0 3 325.452 3.997 20 10 EHCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170854448 1136775553 /nfs/dbraw/zinc/77/55/53/1136775553.db2.gz QEZJSGMBPMWMKR-OAHLLOKOSA-N 0 3 348.240 3.507 20 10 EHCDHN COC1([C@H](C)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000817419288 1136807198 /nfs/dbraw/zinc/80/71/98/1136807198.db2.gz FIGVTWQSLZVVAP-INIZCTEOSA-N 0 3 341.451 3.733 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1[O-] ZINC000817941855 1136848724 /nfs/dbraw/zinc/84/87/24/1136848724.db2.gz LFYXTYXGVPLVRQ-SCLBCKFNSA-N 0 3 347.890 3.771 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@]1(COC)CCCN1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817974648 1136853570 /nfs/dbraw/zinc/85/35/70/1136853570.db2.gz NBSCMZSFHISVGK-GDBMZVCRSA-N 0 3 347.286 3.508 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cccnc3Cl)C2)cc1 ZINC000818344055 1136873089 /nfs/dbraw/zinc/87/30/89/1136873089.db2.gz IJVRQZIIRMOQLV-GJZGRUSLSA-N 0 3 345.874 3.921 20 10 EHCDHN CN(C)c1cc(F)c(CNC[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000858086294 1136938502 /nfs/dbraw/zinc/93/85/02/1136938502.db2.gz FMJLSABFNVEMRF-SFHVURJKSA-N 0 3 349.425 3.551 20 10 EHCDHN CC[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858448865 1136968704 /nfs/dbraw/zinc/96/87/04/1136968704.db2.gz SNKVALGAESBRSE-HZPDHXFCSA-N 0 3 340.393 3.793 20 10 EHCDHN CN(C)c1ccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000805767487 1137029063 /nfs/dbraw/zinc/02/90/63/1137029063.db2.gz WRVSJXQCZOTYCI-PKOBYXMFSA-N 0 3 342.508 3.753 20 10 EHCDHN c1c2cccnc2oc1CNCc1ccc(N2CCSCC2)cc1 ZINC000823666669 1137108829 /nfs/dbraw/zinc/10/88/29/1137108829.db2.gz PHJBYJWHGCEUHD-UHFFFAOYSA-N 0 3 339.464 3.671 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1[O-] ZINC000825087344 1137165093 /nfs/dbraw/zinc/16/50/93/1137165093.db2.gz YZJVPLUSDOPVHT-NVXWUHKLSA-N 0 3 332.831 3.759 20 10 EHCDHN C[C@@](CO)(NCc1cc(F)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC000825130244 1137166893 /nfs/dbraw/zinc/16/68/93/1137166893.db2.gz QMSBEWJLHYHQFA-INIZCTEOSA-N 0 3 344.213 3.835 20 10 EHCDHN CCOC(=O)N[C@H](C[NH2+][C@H](CC)c1ccc(C)cc1[O-])CC(C)C ZINC000794794751 1137251029 /nfs/dbraw/zinc/25/10/29/1137251029.db2.gz QVISUFVHZSFRPQ-DOTOQJQBSA-N 0 3 336.476 3.902 20 10 EHCDHN CC[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(C)cc1[O-] ZINC000794800192 1137251790 /nfs/dbraw/zinc/25/17/90/1137251790.db2.gz BBDYOPIBZJGMDR-SFHVURJKSA-N 0 3 340.423 3.898 20 10 EHCDHN CC[C@@H]([NH2+]CC(C)(C)N1CCC(OC)CC1)c1ccc(C)cc1[O-] ZINC000794805057 1137253841 /nfs/dbraw/zinc/25/38/41/1137253841.db2.gz FIAXZOYXRNFMNE-GOSISDBHSA-N 0 3 334.504 3.631 20 10 EHCDHN CC[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794809603 1137260683 /nfs/dbraw/zinc/26/06/83/1137260683.db2.gz GTOQFUSTWSDTMQ-GOSISDBHSA-N 0 3 344.430 3.701 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000845970629 1137322250 /nfs/dbraw/zinc/32/22/50/1137322250.db2.gz AUOINDICMGHBEN-SNVBAGLBSA-N 0 3 341.329 3.976 20 10 EHCDHN Oc1cc2c(cc1CNC1(c3ccccc3Cl)CCC1)OCO2 ZINC000845995123 1137327217 /nfs/dbraw/zinc/32/72/17/1137327217.db2.gz ORWCZWRTBIZIMR-UHFFFAOYSA-N 0 3 331.799 3.943 20 10 EHCDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1cccc(OC)c1O ZINC000846148293 1137336205 /nfs/dbraw/zinc/33/62/05/1137336205.db2.gz PYVKCQYWTCIHPX-LRDDRELGSA-N 0 3 329.396 3.584 20 10 EHCDHN COc1cccc([C@H](C)N[C@@H]2CCOc3c(OC)cccc32)c1O ZINC000846151294 1137336374 /nfs/dbraw/zinc/33/63/74/1137336374.db2.gz ZBIGJCDSKZWHBS-SWLSCSKDSA-N 0 3 329.396 3.584 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)c1[O-] ZINC000866615019 1137369493 /nfs/dbraw/zinc/36/94/93/1137369493.db2.gz SCIGUJYRBOLCLI-GHMZBOCLSA-N 0 3 338.249 3.608 20 10 EHCDHN COc1ccc(N2CCN([C@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171418830 1137477606 /nfs/dbraw/zinc/47/76/06/1137477606.db2.gz LLUUMSSLRGNVDR-SFHVURJKSA-N 0 3 340.442 3.514 20 10 EHCDHN CC(C)(C)c1cc([O-])c(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1Cl ZINC001206152791 1137522779 /nfs/dbraw/zinc/52/27/79/1137522779.db2.gz AWQDBUDJGBTSGX-LLVKDONJSA-N 0 3 332.822 3.511 20 10 EHCDHN CC[C@H](C)OCC[C@H](C)N1CCN(c2ccc(OC)cc2C)CC1 ZINC001172345963 1137552931 /nfs/dbraw/zinc/55/29/31/1137552931.db2.gz HTVSWILQIFFTAX-ROUUACIJSA-N 0 3 334.504 3.719 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3cccc([O-])c3F)C2)cc1 ZINC000872079632 1137570144 /nfs/dbraw/zinc/57/01/44/1137570144.db2.gz JTBWPNIOFYVDTO-HUUCEWRRSA-N 0 3 344.430 3.717 20 10 EHCDHN O=c1c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cccn1C(F)F ZINC000876722537 1137659681 /nfs/dbraw/zinc/65/96/81/1137659681.db2.gz XQOXWUNSJLRLBY-UHFFFAOYSA-N 0 3 348.393 3.894 20 10 EHCDHN O=c1c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cccn1C(F)F ZINC000876722537 1137659682 /nfs/dbraw/zinc/65/96/82/1137659682.db2.gz XQOXWUNSJLRLBY-UHFFFAOYSA-N 0 3 348.393 3.894 20 10 EHCDHN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876728012 1137659789 /nfs/dbraw/zinc/65/97/89/1137659789.db2.gz VPZOUNASBBYSRZ-HXUWFJFHSA-N 0 3 344.499 3.704 20 10 EHCDHN CN(C)c1ccc(CN(CCC[C@@H]2CCO2)Cc2ccco2)cc1 ZINC000877523029 1137679640 /nfs/dbraw/zinc/67/96/40/1137679640.db2.gz VGBYZQRSGJJJHP-LJQANCHMSA-N 0 3 328.456 3.917 20 10 EHCDHN COc1cccc([C@H](O)C2CC[NH+](Cc3c(C)cccc3[O-])CC2)c1 ZINC000877660407 1137684737 /nfs/dbraw/zinc/68/47/37/1137684737.db2.gz LGLRTVLBWHUSRB-OAQYLSRUSA-N 0 3 341.451 3.655 20 10 EHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000879648465 1137753566 /nfs/dbraw/zinc/75/35/66/1137753566.db2.gz QIDUCRNNRYKNLA-IIAWOOMASA-N 0 3 344.480 3.857 20 10 EHCDHN Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000879648505 1137753705 /nfs/dbraw/zinc/75/37/05/1137753705.db2.gz RKNSWMKQZGFHKK-CYBMUJFWSA-N 0 3 332.831 3.952 20 10 EHCDHN C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879651873 1137753973 /nfs/dbraw/zinc/75/39/73/1137753973.db2.gz NRVDERJPKFMZDH-VBQJREDUSA-N 0 3 349.858 3.835 20 10 EHCDHN CCN(C)c1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC000880569065 1137781388 /nfs/dbraw/zinc/78/13/88/1137781388.db2.gz HISCAKANJMLLGW-NRFANRHFSA-N 0 3 334.467 3.870 20 10 EHCDHN Cc1cc(C)c([C@@H](C)NCc2ccnc(-c3ccccn3)n2)c(O)c1 ZINC000883294450 1137853226 /nfs/dbraw/zinc/85/32/26/1137853226.db2.gz YXXYINGRQCYBAT-OAHLLOKOSA-N 0 3 334.423 3.712 20 10 EHCDHN COCc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)ccc1OC ZINC000122461353 1138258785 /nfs/dbraw/zinc/25/87/85/1138258785.db2.gz FXESIVYZWDHJFX-AWEZNQCLSA-N 0 3 346.446 3.898 20 10 EHCDHN CCOCc1cc(CN[C@H]2CCc3c2cccc3O)ccc1OC ZINC000264371359 1138491731 /nfs/dbraw/zinc/49/17/31/1138491731.db2.gz LRZRSMZJXUFKGM-SFHVURJKSA-N 0 3 327.424 3.714 20 10 EHCDHN C[C@@H](N[C@H]1CCCc2occc21)c1ccc(N2CCOCC2)cc1 ZINC000152234186 1139081040 /nfs/dbraw/zinc/08/10/40/1139081040.db2.gz ZDMMFKNDJNOOOQ-BEFAXECRSA-N 0 3 326.440 3.844 20 10 EHCDHN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000177825011 1139644418 /nfs/dbraw/zinc/64/44/18/1139644418.db2.gz HNPPEHVGHDEHEP-GJZGRUSLSA-N 0 3 346.496 3.568 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000180504079 1139839857 /nfs/dbraw/zinc/83/98/57/1139839857.db2.gz MELCKYBYFJNWCM-IBGZPJMESA-N 0 3 329.371 3.543 20 10 EHCDHN Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)cc1 ZINC000183485933 1140042041 /nfs/dbraw/zinc/04/20/41/1140042041.db2.gz NOYZLNRMWDHONN-INIZCTEOSA-N 0 3 338.451 3.656 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)c([O-])c1 ZINC000185054554 1140133922 /nfs/dbraw/zinc/13/39/22/1140133922.db2.gz RKWZPZWCWPOTJJ-MRXNPFEDSA-N 0 3 325.456 3.937 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000185072298 1140135208 /nfs/dbraw/zinc/13/52/08/1140135208.db2.gz GXGFCNQGDLLRPO-OAHLLOKOSA-N 0 3 344.430 3.527 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)c([O-])c1 ZINC000186061145 1140185225 /nfs/dbraw/zinc/18/52/25/1140185225.db2.gz NLWPJKCXBDVNHZ-ZDUSSCGKSA-N 0 3 327.403 3.620 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000186232531 1140193410 /nfs/dbraw/zinc/19/34/10/1140193410.db2.gz UISDEISZNNSSDV-FEMPBKKVSA-N 0 3 337.341 3.990 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c1[O-] ZINC000187233795 1140245572 /nfs/dbraw/zinc/24/55/72/1140245572.db2.gz GNPMJIYBZHSFAB-MVWJERBFSA-N 0 3 330.266 3.521 20 10 EHCDHN CCOc1cccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)c1O ZINC000191511338 1140469307 /nfs/dbraw/zinc/46/93/07/1140469307.db2.gz QTXSHEMCCKEFJS-UHFFFAOYSA-N 0 3 343.423 3.670 20 10 EHCDHN Cc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)ccc1N(C)C ZINC000271528532 1141388812 /nfs/dbraw/zinc/38/88/12/1141388812.db2.gz ROPQZRNSASUZPE-CMJOXMDJSA-N 0 3 330.497 3.649 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000275283353 1016295465 /nfs/dbraw/zinc/29/54/65/1016295465.db2.gz FJKGSKNSRWYOGC-NTZNESFSSA-N 0 3 328.250 3.681 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C)cc1[O-] ZINC000280189232 1020151876 /nfs/dbraw/zinc/15/18/76/1020151876.db2.gz SDZDMCDHKPGHSM-SFHVURJKSA-N 0 3 342.439 3.639 20 10 EHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C)cc1[O-] ZINC000280189224 1020152474 /nfs/dbraw/zinc/15/24/74/1020152474.db2.gz SDZDMCDHKPGHSM-GOSISDBHSA-N 0 3 342.439 3.639 20 10 EHCDHN CC(C)(NCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000175987837 1020569187 /nfs/dbraw/zinc/56/91/87/1020569187.db2.gz VLQIJHSLUAFGCY-UHFFFAOYSA-N 0 3 346.421 3.826 20 10 EHCDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(OC)c(OC)c1O ZINC000891914818 1023392739 /nfs/dbraw/zinc/39/27/39/1023392739.db2.gz BVXODLPNIMHOAS-INIZCTEOSA-N 0 3 343.423 3.755 20 10 EHCDHN CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760042823 1024235947 /nfs/dbraw/zinc/23/59/47/1024235947.db2.gz YOUQNYLAVLDRPA-WSTZPKSXSA-N 0 3 329.415 3.738 20 10 EHCDHN CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000760042817 1024236673 /nfs/dbraw/zinc/23/66/73/1024236673.db2.gz YOUQNYLAVLDRPA-BJLQDIEVSA-N 0 3 329.415 3.738 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C1CCCC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892011947 1024330310 /nfs/dbraw/zinc/33/03/10/1024330310.db2.gz IONOIEMSWSOIJX-ZWKOTPCHSA-N 0 3 349.446 3.771 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C1CCCC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892011947 1024330321 /nfs/dbraw/zinc/33/03/21/1024330321.db2.gz IONOIEMSWSOIJX-ZWKOTPCHSA-N 0 3 349.446 3.771 20 10 EHCDHN Cc1cccnc1[C@H](NCc1cc2c(cc1O)OCO2)C(C)(C)C ZINC000897998113 1033265787 /nfs/dbraw/zinc/26/57/87/1033265787.db2.gz OJPTYXWAUOJYJK-SFHVURJKSA-N 0 3 328.412 3.701 20 10 EHCDHN Cc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)c([O-])c1 ZINC000896440858 1025450411 /nfs/dbraw/zinc/45/04/11/1025450411.db2.gz BQSOMEQYAKDINY-UHFFFAOYSA-N 0 3 339.435 3.644 20 10 EHCDHN Cc1ccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c([O-])c1 ZINC000896440858 1025450414 /nfs/dbraw/zinc/45/04/14/1025450414.db2.gz BQSOMEQYAKDINY-UHFFFAOYSA-N 0 3 339.435 3.644 20 10 EHCDHN Cc1cc([O-])c(CN[C@@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000896717917 1025920393 /nfs/dbraw/zinc/92/03/93/1025920393.db2.gz YFMPWDGBIADZSH-KRWDZBQOSA-N 0 3 333.863 3.532 20 10 EHCDHN CCOCCOCc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000273301144 1027366291 /nfs/dbraw/zinc/36/62/91/1027366291.db2.gz BMKUJJPYCPHKOK-OAHLLOKOSA-N 0 3 347.430 3.935 20 10 EHCDHN COCC[C@H](NCc1cc(Cl)cc(OC)c1O)c1ccco1 ZINC000273712752 1027575887 /nfs/dbraw/zinc/57/58/87/1027575887.db2.gz GNCSVNDGIWDNTO-ZDUSSCGKSA-N 0 3 325.792 3.515 20 10 EHCDHN C[C@H](NC[C@H](O)c1ccco1)c1ccc(N2CCCCC2)c(F)c1 ZINC000305092612 1027798870 /nfs/dbraw/zinc/79/88/70/1027798870.db2.gz YKWWWMDEODAENZ-KSSFIOAISA-N 0 3 332.419 3.793 20 10 EHCDHN COc1ccccc1[C@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000160123333 1030547085 /nfs/dbraw/zinc/54/70/85/1030547085.db2.gz NCLAFXIFUXZHDE-MRXNPFEDSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1cc(O)c(CN(C)[C@H]2CCCc3nc(C)sc32)cc1OC ZINC000160179432 1030580455 /nfs/dbraw/zinc/58/04/55/1030580455.db2.gz FGAFOUHVNJAFRT-AWEZNQCLSA-N 0 3 348.468 3.684 20 10 EHCDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCc2c1cnn2C ZINC000093863749 1030683248 /nfs/dbraw/zinc/68/32/48/1030683248.db2.gz TZFQRXKWVDJQTG-FQEVSTJZSA-N 0 3 338.499 3.920 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c([O-])c1 ZINC000527746840 1031201214 /nfs/dbraw/zinc/20/12/14/1031201214.db2.gz ASGKQOQNTZFKMX-QXAKKESOSA-N 0 3 329.827 3.872 20 10 EHCDHN C[C@H](NCc1cc(N(C)C)ccn1)c1cc2c(cc1O)CCCC2 ZINC000903198253 1031280339 /nfs/dbraw/zinc/28/03/39/1031280339.db2.gz HXHQBVVADFTHSQ-AWEZNQCLSA-N 0 3 325.456 3.583 20 10 EHCDHN COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000527971809 1031545615 /nfs/dbraw/zinc/54/56/15/1031545615.db2.gz URCULZLRZSJQAI-AEFFLSMTSA-N 0 3 340.467 3.634 20 10 EHCDHN CC1(C)C[C@H](NCc2ccc3c(c2)CCCO3)c2cc(N)ccc2O1 ZINC000904354615 1031971161 /nfs/dbraw/zinc/97/11/61/1031971161.db2.gz HQBJRKPUNFOHPP-SFHVURJKSA-N 0 3 338.451 3.986 20 10 EHCDHN COc1cc(O)c(CN2CCC[C@H]2c2cccc(F)c2)cc1OC ZINC000179439646 1034305416 /nfs/dbraw/zinc/30/54/16/1034305416.db2.gz VOCJTOORPKNBTB-INIZCTEOSA-N 0 3 331.387 3.886 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622178 1034411304 /nfs/dbraw/zinc/41/13/04/1034411304.db2.gz PLPYIRKDEDSCSC-OAHLLOKOSA-N 0 3 348.393 3.752 20 10 EHCDHN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C2CC2)cn1 ZINC000529689259 1034461428 /nfs/dbraw/zinc/46/14/28/1034461428.db2.gz LXESAQIOKYBCIM-KRWDZBQOSA-N 0 3 332.831 3.999 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cc(F)ccc1[O-] ZINC000185719306 1035523840 /nfs/dbraw/zinc/52/38/40/1035523840.db2.gz RGVIDPQSGZYQLM-DGCLKSJQSA-N 0 3 335.810 3.509 20 10 EHCDHN CCOc1cccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)c1[O-] ZINC000156041612 1039872354 /nfs/dbraw/zinc/87/23/54/1039872354.db2.gz SWQCYHYTMKDSAV-HNNXBMFYSA-N 0 3 329.440 3.863 20 10 EHCDHN CCOc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c1[O-] ZINC000156041612 1039872382 /nfs/dbraw/zinc/87/23/82/1039872382.db2.gz SWQCYHYTMKDSAV-HNNXBMFYSA-N 0 3 329.440 3.863 20 10 EHCDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cncc(F)c1 ZINC000163620993 1040221210 /nfs/dbraw/zinc/22/12/10/1040221210.db2.gz WXTLLTKUOVCIMB-AWEZNQCLSA-N 0 3 331.460 3.625 20 10 EHCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H](C)CCSC)c1[O-] ZINC000093558609 1042358649 /nfs/dbraw/zinc/35/86/49/1042358649.db2.gz VDQQOXNVJFGLOU-JTQLQIEISA-N 0 3 348.306 3.737 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CCSC)c1[O-] ZINC000093558609 1042358653 /nfs/dbraw/zinc/35/86/53/1042358653.db2.gz VDQQOXNVJFGLOU-JTQLQIEISA-N 0 3 348.306 3.737 20 10 EHCDHN CC(C)(C)OC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000236810375 1042976172 /nfs/dbraw/zinc/97/61/72/1042976172.db2.gz FBBSVQYMANLYQN-UHFFFAOYSA-N 0 3 339.435 3.867 20 10 EHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000066236810 1044183603 /nfs/dbraw/zinc/18/36/03/1044183603.db2.gz QNMMEQYULSVFMW-HNNXBMFYSA-N 0 3 344.430 3.522 20 10 EHCDHN C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000184999517 1126732018 /nfs/dbraw/zinc/73/20/18/1126732018.db2.gz GLWOBPVUAIKEIU-CQSZACIVSA-N 0 3 325.387 3.627 20 10 EHCDHN COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000765627570 1127713570 /nfs/dbraw/zinc/71/35/70/1127713570.db2.gz YPPSFOWYLZIQMW-LBPRGKRZSA-N 0 3 348.830 3.561 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cccc3[nH]c(=O)oc32)cc1 ZINC000921555628 1127729841 /nfs/dbraw/zinc/72/98/41/1127729841.db2.gz PWYHMEYOHLAQIX-UHFFFAOYSA-N 0 3 325.412 3.669 20 10 EHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(F)F ZINC000765713994 1127734074 /nfs/dbraw/zinc/73/40/74/1127734074.db2.gz DUPWXQXKZZPMFM-OAHLLOKOSA-N 0 3 334.410 3.707 20 10 EHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCN1CC(F)F ZINC000765713994 1127734070 /nfs/dbraw/zinc/73/40/70/1127734070.db2.gz DUPWXQXKZZPMFM-OAHLLOKOSA-N 0 3 334.410 3.707 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000186167065 1127832197 /nfs/dbraw/zinc/83/21/97/1127832197.db2.gz YBWKZKBBYOIKRR-NVXWUHKLSA-N 0 3 339.357 3.883 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000186200868 1128183343 /nfs/dbraw/zinc/18/33/43/1128183343.db2.gz IQJBYQBJNLMSSH-CJNGLKHVSA-N 0 3 334.460 3.655 20 10 EHCDHN O=[N+]([O-])c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1 ZINC000237983142 1121498969 /nfs/dbraw/zinc/49/89/69/1121498969.db2.gz KTWFAHRJVHMHFZ-UHFFFAOYSA-N 0 3 325.412 3.875 20 10 EHCDHN Cc1cc(C(=O)Nc2ccccc2CN(C)C)c(C)n1-c1ccccn1 ZINC000917102229 1122500695 /nfs/dbraw/zinc/50/06/95/1122500695.db2.gz FNBXLQRMLGNQKB-UHFFFAOYSA-N 0 3 348.450 3.803 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000180246882 1123969914 /nfs/dbraw/zinc/96/99/14/1123969914.db2.gz FNYUDLHTAQCGDG-LJQANCHMSA-N 0 3 341.382 3.860 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000180246882 1123969917 /nfs/dbraw/zinc/96/99/17/1123969917.db2.gz FNYUDLHTAQCGDG-LJQANCHMSA-N 0 3 341.382 3.860 20 10 EHCDHN CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000068973655 1124074982 /nfs/dbraw/zinc/07/49/82/1124074982.db2.gz OYPVIPHYGZHYAG-UHFFFAOYSA-N 0 3 330.384 3.721 20 10 EHCDHN CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000068973655 1124074985 /nfs/dbraw/zinc/07/49/85/1124074985.db2.gz OYPVIPHYGZHYAG-UHFFFAOYSA-N 0 3 330.384 3.721 20 10 EHCDHN COc1ccccc1[C@H](CO)NCc1cc(-c2ccccc2)ccc1O ZINC000734851091 1131287002 /nfs/dbraw/zinc/28/70/02/1131287002.db2.gz UZLMMYKEEZCYCT-FQEVSTJZSA-N 0 3 349.430 3.891 20 10 EHCDHN c1cn(C[C@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)cn1 ZINC000922334644 1129477149 /nfs/dbraw/zinc/47/71/49/1129477149.db2.gz DZIGXYKZJNLOGG-FQEVSTJZSA-N 0 3 333.435 3.739 20 10 EHCDHN CCC[N@H+](CCOc1ccccc1C(C)=O)Cc1ccccc1[O-] ZINC000727831136 1130598628 /nfs/dbraw/zinc/59/86/28/1130598628.db2.gz JSMIKZDSWBZGNQ-UHFFFAOYSA-N 0 3 327.424 3.886 20 10 EHCDHN CCC[N@@H+](CCOc1ccccc1C(C)=O)Cc1ccccc1[O-] ZINC000727831136 1130598632 /nfs/dbraw/zinc/59/86/32/1130598632.db2.gz JSMIKZDSWBZGNQ-UHFFFAOYSA-N 0 3 327.424 3.886 20 10 EHCDHN CCCN(CC(=O)NCc1cccc(Cl)c1)Cc1ccccc1O ZINC000727831103 1130598942 /nfs/dbraw/zinc/59/89/42/1130598942.db2.gz IKTLQDHXHTUQDR-UHFFFAOYSA-N 0 3 346.858 3.574 20 10 EHCDHN COc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1C ZINC000742387063 1131714016 /nfs/dbraw/zinc/71/40/16/1131714016.db2.gz DBNAZMOPSCINOH-UHFFFAOYSA-N 0 3 329.415 3.938 20 10 EHCDHN Cc1cc(CNCc2ccc(C(N)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000743679284 1131961341 /nfs/dbraw/zinc/96/13/41/1131961341.db2.gz OJRFMPMIEOJQIL-UHFFFAOYSA-N 0 3 347.462 3.791 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000743870205 1131995299 /nfs/dbraw/zinc/99/52/99/1131995299.db2.gz LBBBRCHHLZHIIJ-ZDUSSCGKSA-N 0 3 348.393 3.910 20 10 EHCDHN CN(Cc1cccc(Cl)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768172879 1133105431 /nfs/dbraw/zinc/10/54/31/1133105431.db2.gz ALCGAHOLHFEZES-UHFFFAOYSA-N 0 3 348.849 3.948 20 10 EHCDHN Cc1cncc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000768196767 1133111538 /nfs/dbraw/zinc/11/15/38/1133111538.db2.gz FUGDEJASDQKGJL-IRXDYDNUSA-N 0 3 325.456 3.638 20 10 EHCDHN CCOc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2C)c([O-])c1 ZINC000768197001 1133111591 /nfs/dbraw/zinc/11/15/91/1133111591.db2.gz HAXSVFXTNPIWNP-UHFFFAOYSA-N 0 3 345.439 3.749 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)c([O-])c1 ZINC000768197001 1133111597 /nfs/dbraw/zinc/11/15/97/1133111597.db2.gz HAXSVFXTNPIWNP-UHFFFAOYSA-N 0 3 345.439 3.749 20 10 EHCDHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000768271764 1133118899 /nfs/dbraw/zinc/11/88/99/1133118899.db2.gz ODZUBYBUPNWFNJ-NEPJUHHUSA-N 0 3 334.357 3.654 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc(Cl)cc1)C1CC1)[C@@H](O)CO2 ZINC000768442125 1133139185 /nfs/dbraw/zinc/13/91/85/1133139185.db2.gz JEOSSLJKTGLENU-SFHVURJKSA-N 0 3 345.826 3.636 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)[C@@H](O)CO2 ZINC000768442125 1133139188 /nfs/dbraw/zinc/13/91/88/1133139188.db2.gz JEOSSLJKTGLENU-SFHVURJKSA-N 0 3 345.826 3.636 20 10 EHCDHN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466566 1133145051 /nfs/dbraw/zinc/14/50/51/1133145051.db2.gz SBMDZQYCIBNNFG-LWLIDHTLSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768466566 1133145053 /nfs/dbraw/zinc/14/50/53/1133145053.db2.gz SBMDZQYCIBNNFG-LWLIDHTLSA-N 0 3 343.398 3.540 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1F ZINC000768937800 1133206963 /nfs/dbraw/zinc/20/69/63/1133206963.db2.gz BFNLHIPIUTXQAW-QGZVFWFLSA-N 0 3 342.462 3.842 20 10 EHCDHN CCC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1ccccc1[O-] ZINC000769200961 1133243324 /nfs/dbraw/zinc/24/33/24/1133243324.db2.gz KTRHPPYGFBCGKX-UHFFFAOYSA-N 0 3 340.402 3.524 20 10 EHCDHN CCC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1ccccc1[O-] ZINC000769200961 1133243330 /nfs/dbraw/zinc/24/33/30/1133243330.db2.gz KTRHPPYGFBCGKX-UHFFFAOYSA-N 0 3 340.402 3.524 20 10 EHCDHN COc1ccc(C2CC[NH+](Cc3c([O-])cccc3OC)CC2)cc1 ZINC000769396612 1133286564 /nfs/dbraw/zinc/28/65/64/1133286564.db2.gz MQMHPGRFAHPXGQ-UHFFFAOYSA-N 0 3 327.424 3.789 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000769444732 1133291485 /nfs/dbraw/zinc/29/14/85/1133291485.db2.gz CVZQUEYUJVNUCL-LJQANCHMSA-N 0 3 347.430 3.732 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000769444732 1133291488 /nfs/dbraw/zinc/29/14/88/1133291488.db2.gz CVZQUEYUJVNUCL-LJQANCHMSA-N 0 3 347.430 3.732 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000769929586 1133368066 /nfs/dbraw/zinc/36/80/66/1133368066.db2.gz CNHOXQNJSITCCK-QRWLVFNGSA-N 0 3 328.456 3.572 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(F)c3)c2)CC1 ZINC000770147024 1133393310 /nfs/dbraw/zinc/39/33/10/1133393310.db2.gz KLLRJTANUGDXPZ-UHFFFAOYSA-N 0 3 341.430 3.528 20 10 EHCDHN CCCCN(CC)[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC001182231759 1133593795 /nfs/dbraw/zinc/59/37/95/1133593795.db2.gz AMKNUSPZCBYLGW-FQEVSTJZSA-N 0 3 340.467 3.872 20 10 EHCDHN CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001183428587 1133804742 /nfs/dbraw/zinc/80/47/42/1133804742.db2.gz JYXACIDZXTUTEO-CRAIPNDOSA-N 0 3 329.440 3.610 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1[O-] ZINC001184054614 1133891510 /nfs/dbraw/zinc/89/15/10/1133891510.db2.gz HXZJNSZNLVCWMQ-GJZGRUSLSA-N 0 3 340.261 3.510 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2ccccc2OC(F)F)c([O-])c1 ZINC000788069786 1134076666 /nfs/dbraw/zinc/07/66/66/1134076666.db2.gz CZISSUBGTSNKEM-UHFFFAOYSA-N 0 3 337.366 3.725 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000788538399 1134139404 /nfs/dbraw/zinc/13/94/04/1134139404.db2.gz MDJUIUCRDBHORW-UXHICEINSA-N 0 3 329.440 3.639 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c([O-])c1 ZINC000788538398 1134139766 /nfs/dbraw/zinc/13/97/66/1134139766.db2.gz MDJUIUCRDBHORW-PMACEKPBSA-N 0 3 329.440 3.639 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788550058 1134141885 /nfs/dbraw/zinc/14/18/85/1134141885.db2.gz WZEYSDQCWNZDPP-QWHCGFSZSA-N 0 3 330.394 3.794 20 10 EHCDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792825833 1134796859 /nfs/dbraw/zinc/79/68/59/1134796859.db2.gz BMFIPBNRUYOCRC-DOMZBBRYSA-N 0 3 330.394 3.507 20 10 EHCDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000793207645 1134884274 /nfs/dbraw/zinc/88/42/74/1134884274.db2.gz QDPSDKKPIYOBEO-OAHLLOKOSA-N 0 3 348.849 3.796 20 10 EHCDHN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)c([O-])c1 ZINC000793387546 1134920876 /nfs/dbraw/zinc/92/08/76/1134920876.db2.gz GKZRQUPQFJLOSB-UHFFFAOYSA-N 0 3 343.814 3.734 20 10 EHCDHN COc1ccc(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000793387464 1134921327 /nfs/dbraw/zinc/92/13/27/1134921327.db2.gz FBTXILKQSUINQA-UONOGXRCSA-N 0 3 345.439 3.700 20 10 EHCDHN CCCN(CCC)c1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1 ZINC000793396041 1134924404 /nfs/dbraw/zinc/92/44/04/1134924404.db2.gz SUPNQAPECWPELR-UHFFFAOYSA-N 0 3 345.531 3.804 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccccc1[O-] ZINC000775498761 1134964442 /nfs/dbraw/zinc/96/44/42/1134964442.db2.gz NPJSKZHYHZFVSV-KXBFYZLASA-N 0 3 326.440 3.720 20 10 EHCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000793609697 1134972165 /nfs/dbraw/zinc/97/21/65/1134972165.db2.gz RFZKAFLANIIUGY-HUUCEWRRSA-N 0 3 340.261 3.607 20 10 EHCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000793609697 1134972171 /nfs/dbraw/zinc/97/21/71/1134972171.db2.gz RFZKAFLANIIUGY-HUUCEWRRSA-N 0 3 340.261 3.607 20 10 EHCDHN CC[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccccc1[O-] ZINC000775519977 1134995477 /nfs/dbraw/zinc/99/54/77/1134995477.db2.gz UNGTYFYJRGNVNQ-SFHVURJKSA-N 0 3 330.472 3.614 20 10 EHCDHN CCCOc1ccc2c(c1)CCN(Cc1cc(OC)ccc1O)C2 ZINC000775737619 1135601821 /nfs/dbraw/zinc/60/18/21/1135601821.db2.gz VZPAPUBJDAKTJP-UHFFFAOYSA-N 0 3 327.424 3.748 20 10 EHCDHN Oc1ccc(CN2CCC(Cc3ccc(F)cc3F)CC2)cc1O ZINC001203880332 1135706776 /nfs/dbraw/zinc/70/67/76/1135706776.db2.gz NZKDVVCDLABPQU-UHFFFAOYSA-N 0 3 333.378 3.831 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000808672807 1135714028 /nfs/dbraw/zinc/71/40/28/1135714028.db2.gz GIWATHOKMSMJEB-ZNMIVQPWSA-N 0 3 340.895 3.504 20 10 EHCDHN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808679668 1135715852 /nfs/dbraw/zinc/71/58/52/1135715852.db2.gz WRVCGESYWYYJTG-BLLLJJGKSA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1[O-] ZINC000808708071 1135717694 /nfs/dbraw/zinc/71/76/94/1135717694.db2.gz GJDMHFSMXQKEDE-IYOUNJFTSA-N 0 3 333.859 3.997 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1[O-] ZINC000808694952 1135724332 /nfs/dbraw/zinc/72/43/32/1135724332.db2.gz IEPUOEDVJYVXPP-ZDUSSCGKSA-N 0 3 338.879 3.653 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCCOC1 ZINC000809693332 1135867282 /nfs/dbraw/zinc/86/72/82/1135867282.db2.gz SVTBWBJUGWYBJP-SFHVURJKSA-N 0 3 327.424 3.582 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCCOC1 ZINC000809693332 1135867286 /nfs/dbraw/zinc/86/72/86/1135867286.db2.gz SVTBWBJUGWYBJP-SFHVURJKSA-N 0 3 327.424 3.582 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000809779545 1135889596 /nfs/dbraw/zinc/88/95/96/1135889596.db2.gz RPKWVTGKIXYBMG-AWEZNQCLSA-N 0 3 340.250 3.873 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1[O-] ZINC000809786544 1135890914 /nfs/dbraw/zinc/89/09/14/1135890914.db2.gz DYMIYJYISZLLQS-GFCCVEGCSA-N 0 3 340.261 3.785 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1[O-] ZINC000809786544 1135890917 /nfs/dbraw/zinc/89/09/17/1135890917.db2.gz DYMIYJYISZLLQS-GFCCVEGCSA-N 0 3 340.261 3.785 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(CC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208695 1135943426 /nfs/dbraw/zinc/94/34/26/1135943426.db2.gz ZBKCJAHOJOXEAF-HNNXBMFYSA-N 0 3 330.394 3.936 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c2c1c(F)ccc2[O-] ZINC000810247123 1135947830 /nfs/dbraw/zinc/94/78/30/1135947830.db2.gz TWXLPNZSYYWGOA-BHOPFYFBSA-N 0 3 341.426 3.835 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000811518553 1136097901 /nfs/dbraw/zinc/09/79/01/1136097901.db2.gz NUPUZKZYQGJHMH-HXUWFJFHSA-N 0 3 341.451 3.612 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000811512509 1136103751 /nfs/dbraw/zinc/10/37/51/1136103751.db2.gz NBLCKWULILAPJG-PKOBYXMFSA-N 0 3 331.843 3.610 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2nsc3ccccc23)c([O-])c1 ZINC000850401278 1136250047 /nfs/dbraw/zinc/25/00/47/1136250047.db2.gz ZBXKHEMWNWNLID-UHFFFAOYSA-N 0 3 328.437 3.733 20 10 EHCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000850566631 1136287334 /nfs/dbraw/zinc/28/73/34/1136287334.db2.gz QFWGVBOFCIDZKM-AWEZNQCLSA-N 0 3 346.421 3.777 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c([O-])c1 ZINC000813793549 1136363295 /nfs/dbraw/zinc/36/32/95/1136363295.db2.gz UHKSZYLWMNUVPX-SGTLLEGYSA-N 0 3 333.453 3.645 20 10 EHCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCCC1)[C@@H]1CCOC1 ZINC000851769647 1136406488 /nfs/dbraw/zinc/40/64/88/1136406488.db2.gz KIPLFIZAFLRTMX-XLIONFOSSA-N 0 3 333.472 3.578 20 10 EHCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCCC1)[C@@H]1CCOC1 ZINC000851769647 1136406490 /nfs/dbraw/zinc/40/64/90/1136406490.db2.gz KIPLFIZAFLRTMX-XLIONFOSSA-N 0 3 333.472 3.578 20 10 EHCDHN C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000814169701 1136414721 /nfs/dbraw/zinc/41/47/21/1136414721.db2.gz MAFGPPWDMNIRPZ-ZDUSSCGKSA-N 0 3 340.439 3.704 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(F)c2OC(F)F)c1 ZINC000851899741 1136417019 /nfs/dbraw/zinc/41/70/19/1136417019.db2.gz DUKHTLFLDRHSHP-JTQLQIEISA-N 0 3 341.329 3.992 20 10 EHCDHN CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cccc2c1CCNC2 ZINC000852828947 1136489694 /nfs/dbraw/zinc/48/96/94/1136489694.db2.gz VOPKZUWWKDHRMS-UHFFFAOYSA-N 0 3 334.463 3.833 20 10 EHCDHN CN(C)c1ccc(/C=C/CNCc2cnccc2C(F)(F)F)cc1 ZINC000853095081 1136508481 /nfs/dbraw/zinc/50/84/81/1136508481.db2.gz HMZWFUNDJLDVCQ-ONEGZZNKSA-N 0 3 335.373 3.969 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000111232900 1136524506 /nfs/dbraw/zinc/52/45/06/1136524506.db2.gz BJAVXSLBHWCVCQ-LJQANCHMSA-N 0 3 339.435 3.508 20 10 EHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000111232900 1136524508 /nfs/dbraw/zinc/52/45/08/1136524508.db2.gz BJAVXSLBHWCVCQ-LJQANCHMSA-N 0 3 339.435 3.508 20 10 EHCDHN [O-]c1ccccc1C[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000815165764 1136559572 /nfs/dbraw/zinc/55/95/72/1136559572.db2.gz VRKPNDGJUSXMJB-UHFFFAOYSA-N 0 3 329.469 3.549 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C ZINC000815166654 1136565429 /nfs/dbraw/zinc/56/54/29/1136565429.db2.gz RNFQIHBESDOOPA-KRWDZBQOSA-N 0 3 346.496 3.515 20 10 EHCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000854248055 1136601065 /nfs/dbraw/zinc/60/10/65/1136601065.db2.gz MUHWVUFMBSSQSY-QGZVFWFLSA-N 0 3 347.503 3.577 20 10 EHCDHN CCCNC(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815563205 1136611303 /nfs/dbraw/zinc/61/13/03/1136611303.db2.gz WGBFTUCOJCCICB-IBGZPJMESA-N 0 3 340.467 3.572 20 10 EHCDHN CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815618476 1136619367 /nfs/dbraw/zinc/61/93/67/1136619367.db2.gz MQFFVIHJAVNTBA-DFQSSKMNSA-N 0 3 325.452 3.815 20 10 EHCDHN CCOC(=O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])o1 ZINC000816610676 1136740754 /nfs/dbraw/zinc/74/07/54/1136740754.db2.gz UJTMUCPSAKKEBW-UHFFFAOYSA-N 0 3 325.364 3.605 20 10 EHCDHN C[C@H]([NH2+]CC1(N)CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000817939008 1136848400 /nfs/dbraw/zinc/84/84/00/1136848400.db2.gz XLIXILDDOBHSAO-JTQLQIEISA-N 0 3 345.256 3.606 20 10 EHCDHN C[C@@H]([NH2+]CCCNC1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984477 1136855323 /nfs/dbraw/zinc/85/53/23/1136855323.db2.gz UCPATKNIGAARDE-SECBINFHSA-N 0 3 347.684 3.601 20 10 EHCDHN COc1ccc(N2CC[C@@H](CN[C@@H](C)c3nc(C)sc3C)C2)cc1 ZINC000818342787 1136872531 /nfs/dbraw/zinc/87/25/31/1136872531.db2.gz VRGYBDULCIFITR-BBRMVZONSA-N 0 3 345.512 3.946 20 10 EHCDHN COc1ccc(N2CC[C@H](CN[C@H](C)c3nc(C)sc3C)C2)cc1 ZINC000818342793 1136872665 /nfs/dbraw/zinc/87/26/65/1136872665.db2.gz VRGYBDULCIFITR-CZUORRHYSA-N 0 3 345.512 3.946 20 10 EHCDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000818358264 1136875819 /nfs/dbraw/zinc/87/58/19/1136875819.db2.gz RREZNUCSTUDVDH-OAGGEKHMSA-N 0 3 346.471 3.805 20 10 EHCDHN CN(C)c1cc(F)c(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1F ZINC000858157303 1136944910 /nfs/dbraw/zinc/94/49/10/1136944910.db2.gz XGVGWZPBBFHNGO-QRWLVFNGSA-N 0 3 346.421 3.898 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2c1c(F)ccc2[O-] ZINC000858453191 1136969554 /nfs/dbraw/zinc/96/95/54/1136969554.db2.gz KKMJGEITMFJLKW-YLQAJVPDSA-N 0 3 327.399 3.811 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(F)c(F)c2N(C)C)c1 ZINC000862367950 1137140740 /nfs/dbraw/zinc/14/07/40/1137140740.db2.gz AHJRZNAFHVYROG-LLVKDONJSA-N 0 3 336.382 3.596 20 10 EHCDHN CC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000794693383 1137234297 /nfs/dbraw/zinc/23/42/97/1137234297.db2.gz IQXDPVTYOMLWBQ-PXNSSMCTSA-N 0 3 333.472 3.594 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](OC(C)C)C3)c2c1 ZINC000844719630 1137247761 /nfs/dbraw/zinc/24/77/61/1137247761.db2.gz KHGQRHPVOSXDJC-QGZVFWFLSA-N 0 3 329.440 3.943 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](OC(C)C)C3)c2c1 ZINC000844719630 1137247763 /nfs/dbraw/zinc/24/77/63/1137247763.db2.gz KHGQRHPVOSXDJC-QGZVFWFLSA-N 0 3 329.440 3.943 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(C)cc1[O-] ZINC000794801615 1137252407 /nfs/dbraw/zinc/25/24/07/1137252407.db2.gz AIARASDREUQAON-LJQANCHMSA-N 0 3 340.467 3.778 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(C)cc1[O-] ZINC000794805361 1137253437 /nfs/dbraw/zinc/25/34/37/1137253437.db2.gz GMJKETUUTFKKNK-RBUKOAKNSA-N 0 3 338.451 3.937 20 10 EHCDHN CCOc1ccc(C[NH2+]CC[C@H]2CCc3ccccc3N2)c([O-])c1 ZINC000844904736 1137261278 /nfs/dbraw/zinc/26/12/78/1137261278.db2.gz PGEMHVNMIWFBDQ-QGZVFWFLSA-N 0 3 326.440 3.698 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000794818526 1137265502 /nfs/dbraw/zinc/26/55/02/1137265502.db2.gz XIPTYYJSUBIPCL-RYRKJORJSA-N 0 3 348.487 3.998 20 10 EHCDHN C[C@@H](O)[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1F ZINC000846181687 1137340353 /nfs/dbraw/zinc/34/03/53/1137340353.db2.gz DCKJPKWBOCPQBC-RYARHOFXSA-N 0 3 333.378 3.930 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846213041 1137343713 /nfs/dbraw/zinc/34/37/13/1137343713.db2.gz BNVDYNPISYIGBB-LRDDRELGSA-N 0 3 346.858 3.781 20 10 EHCDHN COc1cccc([C@@H](C)NCc2ccc(OC(F)F)cc2F)c1O ZINC000866540983 1137363138 /nfs/dbraw/zinc/36/31/38/1137363138.db2.gz GHBCYRPFPPPFPV-SNVBAGLBSA-N 0 3 341.329 3.992 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903277 1137517871 /nfs/dbraw/zinc/51/78/71/1137517871.db2.gz OHHHJUJLVXGMIE-LJQANCHMSA-N 0 3 338.451 3.519 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171903277 1137517873 /nfs/dbraw/zinc/51/78/73/1137517873.db2.gz OHHHJUJLVXGMIE-LJQANCHMSA-N 0 3 338.451 3.519 20 10 EHCDHN CC(C)(C)c1cc([O-])c(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1Cl ZINC001206152792 1137522858 /nfs/dbraw/zinc/52/28/58/1137522858.db2.gz AWQDBUDJGBTSGX-NSHDSACASA-N 0 3 332.822 3.511 20 10 EHCDHN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1[O-] ZINC000872135220 1137573566 /nfs/dbraw/zinc/57/35/66/1137573566.db2.gz GTDYYYYZJVKFES-ASUYLVSUSA-N 0 3 345.439 3.572 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CC1(F)F ZINC000877033658 1137668325 /nfs/dbraw/zinc/66/83/25/1137668325.db2.gz JOKFANMCCSEXSO-NILFDRSVSA-N 0 3 344.833 3.643 20 10 EHCDHN CCCC[N@H+](Cc1cnc(CCOC)s1)Cc1ccccc1[O-] ZINC000877503097 1137678930 /nfs/dbraw/zinc/67/89/30/1137678930.db2.gz AWLIIPJBDQTYAD-UHFFFAOYSA-N 0 3 334.485 3.840 20 10 EHCDHN CCCC[N@@H+](Cc1cnc(CCOC)s1)Cc1ccccc1[O-] ZINC000877503097 1137678931 /nfs/dbraw/zinc/67/89/31/1137678931.db2.gz AWLIIPJBDQTYAD-UHFFFAOYSA-N 0 3 334.485 3.840 20 10 EHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000877612911 1137682968 /nfs/dbraw/zinc/68/29/68/1137682968.db2.gz QLWHLASLFXKTQU-GDBMZVCRSA-N 0 3 341.455 3.662 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1[O-] ZINC000877756264 1137688345 /nfs/dbraw/zinc/68/83/45/1137688345.db2.gz CTXBRISNLLWRPP-CQSZACIVSA-N 0 3 341.411 3.620 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)c1ccccc1[O-] ZINC000877756542 1137688430 /nfs/dbraw/zinc/68/84/30/1137688430.db2.gz QKEJDZJHVKLTBB-OAHLLOKOSA-N 0 3 337.423 3.556 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000879649777 1137753558 /nfs/dbraw/zinc/75/35/58/1137753558.db2.gz GTYWLTYBHNCCLL-DEYYWGMASA-N 0 3 342.414 3.544 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1[O-] ZINC000879648466 1137753661 /nfs/dbraw/zinc/75/36/61/1137753661.db2.gz QIDUCRNNRYKNLA-IJEWVQPXSA-N 0 3 344.480 3.857 20 10 EHCDHN CSc1ccccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648595 1137753666 /nfs/dbraw/zinc/75/36/66/1137753666.db2.gz VICAOHNWECCLGN-CYBMUJFWSA-N 0 3 330.453 3.794 20 10 EHCDHN C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000879650863 1137753844 /nfs/dbraw/zinc/75/38/44/1137753844.db2.gz UKJCSCRDUMSSJY-WFASDCNBSA-N 0 3 339.357 3.665 20 10 EHCDHN CC[N@H+](Cc1cccc(OC)c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000128416141 1137778623 /nfs/dbraw/zinc/77/86/23/1137778623.db2.gz MCNWLLBHBYYDBF-HNNXBMFYSA-N 0 3 329.440 3.863 20 10 EHCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000128416141 1137778624 /nfs/dbraw/zinc/77/86/24/1137778624.db2.gz MCNWLLBHBYYDBF-HNNXBMFYSA-N 0 3 329.440 3.863 20 10 EHCDHN Cc1cc(Cn2cc([C@@H](N)C(C)(C)C)nn2)ccc1N1CCCCC1 ZINC000881378545 1137806459 /nfs/dbraw/zinc/80/64/59/1137806459.db2.gz FFPHMTULTGCCIP-LJQANCHMSA-N 0 3 341.503 3.671 20 10 EHCDHN [O-]c1c(F)cc(F)cc1CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000882882450 1137836724 /nfs/dbraw/zinc/83/67/24/1137836724.db2.gz LNFHOODLRNJLIH-GOSISDBHSA-N 0 3 332.394 3.597 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000883223971 1137849348 /nfs/dbraw/zinc/84/93/48/1137849348.db2.gz BMAUHJLSYVMXOY-NEPJUHHUSA-N 0 3 344.402 3.591 20 10 EHCDHN CCc1nn(C)c(CC)c1CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000090846188 1138213947 /nfs/dbraw/zinc/21/39/47/1138213947.db2.gz HGMVKIVDEKVXPN-SFHVURJKSA-N 0 3 328.504 3.852 20 10 EHCDHN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000177881183 1139650628 /nfs/dbraw/zinc/65/06/28/1139650628.db2.gz KWTUAXSNSAVNPM-INIZCTEOSA-N 0 3 339.483 3.743 20 10 EHCDHN Cc1cc(Cl)cc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182106958 1139951052 /nfs/dbraw/zinc/95/10/52/1139951052.db2.gz IXAFEAADRJJORW-OPAMFIHVSA-N 0 3 337.872 3.563 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1[O-] ZINC000182106958 1139951054 /nfs/dbraw/zinc/95/10/54/1139951054.db2.gz IXAFEAADRJJORW-OPAMFIHVSA-N 0 3 337.872 3.563 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(Cl)cc3c2OCC3)c1 ZINC000182413983 1139971093 /nfs/dbraw/zinc/97/10/93/1139971093.db2.gz LSYHRAQHTXAPNX-LLVKDONJSA-N 0 3 333.815 3.840 20 10 EHCDHN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183426629 1140037843 /nfs/dbraw/zinc/03/78/43/1140037843.db2.gz KAERLBNNDLWGSF-LSDHHAIUSA-N 0 3 326.440 3.771 20 10 EHCDHN COc1ccccc1N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183472646 1140040531 /nfs/dbraw/zinc/04/05/31/1140040531.db2.gz CADJPALCKHZNOV-OAHLLOKOSA-N 0 3 326.440 3.720 20 10 EHCDHN CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183550957 1140045804 /nfs/dbraw/zinc/04/58/04/1140045804.db2.gz OQYXPXLEFVMKTD-INIZCTEOSA-N 0 3 329.440 3.967 20 10 EHCDHN C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1[O-] ZINC000183625744 1140050409 /nfs/dbraw/zinc/05/04/09/1140050409.db2.gz WWRNQMIVTMBCSC-CVEARBPZSA-N 0 3 325.456 3.663 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1cc(F)ccc1[O-] ZINC000185160811 1140138016 /nfs/dbraw/zinc/13/80/16/1140138016.db2.gz HCOMBKKAHGSQRM-QWHCGFSZSA-N 0 3 344.386 3.900 20 10 EHCDHN COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185701436 1140165234 /nfs/dbraw/zinc/16/52/34/1140165234.db2.gz OJXUUFDZJPMHSH-SNVBAGLBSA-N 0 3 341.329 3.992 20 10 EHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(O[C@H]2CCOC2)c1 ZINC000185726936 1140166625 /nfs/dbraw/zinc/16/66/25/1140166625.db2.gz LOAIZGKQTTZTBU-PBHICJAKSA-N 0 3 345.414 3.858 20 10 EHCDHN COCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000186154561 1140189497 /nfs/dbraw/zinc/18/94/97/1140189497.db2.gz RADXQRLUXUTQIS-INIZCTEOSA-N 0 3 329.440 3.967 20 10 EHCDHN CC[C@H](CCO)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187291163 1140248775 /nfs/dbraw/zinc/24/87/75/1140248775.db2.gz BHROCPAEJFRGKG-VXGBXAGGSA-N 0 3 330.266 3.522 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2nccs2)c1[O-] ZINC000187123029 1140239983 /nfs/dbraw/zinc/23/99/83/1140239983.db2.gz QOTDYPZNXZZPTR-SNVBAGLBSA-N 0 3 341.274 3.813 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439856 1140280911 /nfs/dbraw/zinc/28/09/11/1140280911.db2.gz PICCXRSJYSXQHC-SFHVURJKSA-N 0 3 335.806 3.587 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000777439856 1140280913 /nfs/dbraw/zinc/28/09/13/1140280913.db2.gz PICCXRSJYSXQHC-SFHVURJKSA-N 0 3 335.806 3.587 20 10 EHCDHN CC(C)c1nc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000271140704 1141313339 /nfs/dbraw/zinc/31/33/39/1141313339.db2.gz AITSYERKTHEUES-UHFFFAOYSA-N 0 3 328.460 3.639 20 10 EHCDHN CC[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1[O-] ZINC000155192394 1016282132 /nfs/dbraw/zinc/28/21/32/1016282132.db2.gz MARBGWREQQWVMK-RTBURBONSA-N 0 3 338.451 3.797 20 10 EHCDHN C[C@H](NCc1cc(O)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000892731725 1017248550 /nfs/dbraw/zinc/24/85/50/1017248550.db2.gz XKKZEOMCNLDETQ-AWEZNQCLSA-N 0 3 346.858 3.733 20 10 EHCDHN COc1cc(C)cc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1O ZINC000894206599 1019197335 /nfs/dbraw/zinc/19/73/35/1019197335.db2.gz GTTCVNPYKBPNTE-HKUYNNGSSA-N 0 3 345.414 3.858 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(C)cc1[O-] ZINC000280026510 1019991687 /nfs/dbraw/zinc/99/16/87/1019991687.db2.gz HSTXEVZQGWXUMB-IBGZPJMESA-N 0 3 336.439 3.581 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(C)cc1[O-] ZINC000280040515 1020008184 /nfs/dbraw/zinc/00/81/84/1020008184.db2.gz IVLJLOUAWDIDMO-HNNXBMFYSA-N 0 3 330.394 3.768 20 10 EHCDHN COc1ccc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)c(O)c1OC ZINC000891553467 1021913984 /nfs/dbraw/zinc/91/39/84/1021913984.db2.gz NJWUNZDYZLSGRX-NSHDSACASA-N 0 3 337.366 3.881 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(C)cc1[O-] ZINC000375643924 1022375765 /nfs/dbraw/zinc/37/57/65/1022375765.db2.gz LVQRNMGHVNPAQN-RHSMWYFYSA-N 0 3 329.419 3.554 20 10 EHCDHN CC[C@@H](NCc1cc(C)cc(OC)c1O)c1cccc(OC)c1OC ZINC000895455376 1024532932 /nfs/dbraw/zinc/53/29/32/1024532932.db2.gz XCQGWOAJJLGOSH-MRXNPFEDSA-N 0 3 345.439 3.967 20 10 EHCDHN CC[C@@H]([NH2+]CCNc1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000156857644 1024620905 /nfs/dbraw/zinc/62/09/05/1024620905.db2.gz UVDDITQFDWPTRD-GOSISDBHSA-N 0 3 330.428 3.562 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2cccnc2)c1[O-] ZINC000897969262 1033263419 /nfs/dbraw/zinc/26/34/19/1033263419.db2.gz HVQZUNXUEYMXMD-GFCCVEGCSA-N 0 3 335.245 3.579 20 10 EHCDHN CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1nccs1 ZINC000152250045 1025434979 /nfs/dbraw/zinc/43/49/79/1025434979.db2.gz SLTOYZWSGJXDFG-KRWDZBQOSA-N 0 3 331.485 3.861 20 10 EHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000192789798 1026343220 /nfs/dbraw/zinc/34/32/20/1026343220.db2.gz CRXSCSQIMUKQFQ-STQMWFEESA-N 0 3 331.412 3.830 20 10 EHCDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000273595924 1027511360 /nfs/dbraw/zinc/51/13/60/1027511360.db2.gz QOHDXJMVNNHZHG-ZDUSSCGKSA-N 0 3 330.384 3.777 20 10 EHCDHN C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000359872336 1027864647 /nfs/dbraw/zinc/86/46/47/1027864647.db2.gz OSMCEVXXPSLTOJ-YYFZDKIDSA-N 0 3 328.431 3.875 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3c2cccc3O)c1[O-] ZINC000271836486 1029193541 /nfs/dbraw/zinc/19/35/41/1029193541.db2.gz FZPDUFUNBLTIRF-HNNXBMFYSA-N 0 3 348.240 3.946 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000273587898 1029827308 /nfs/dbraw/zinc/82/73/08/1029827308.db2.gz OHKIKSIZPDXEHP-GFCCVEGCSA-N 0 3 338.423 3.581 20 10 EHCDHN COCc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160180220 1030583516 /nfs/dbraw/zinc/58/35/16/1030583516.db2.gz UJRSHGIPSLCRQK-FQEVSTJZSA-N 0 3 341.451 3.720 20 10 EHCDHN COCc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160180220 1030583527 /nfs/dbraw/zinc/58/35/27/1030583527.db2.gz UJRSHGIPSLCRQK-FQEVSTJZSA-N 0 3 341.451 3.720 20 10 EHCDHN Cc1ccc(O)c(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160197975 1030597174 /nfs/dbraw/zinc/59/71/74/1030597174.db2.gz MOWPYCVMCSHHGO-GOSISDBHSA-N 0 3 327.424 3.587 20 10 EHCDHN Cc1ccc(O)c(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160197975 1030597185 /nfs/dbraw/zinc/59/71/85/1030597185.db2.gz MOWPYCVMCSHHGO-GOSISDBHSA-N 0 3 327.424 3.587 20 10 EHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1NC(C)=O ZINC000160552999 1030832341 /nfs/dbraw/zinc/83/23/41/1030832341.db2.gz UNAUXCRZVCQLBE-CQSZACIVSA-N 0 3 341.455 3.570 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c([O-])c1 ZINC000527746833 1031200951 /nfs/dbraw/zinc/20/09/51/1031200951.db2.gz ASGKQOQNTZFKMX-NZSAHSFTSA-N 0 3 329.827 3.872 20 10 EHCDHN CCN(CC1CC[NH+](Cc2ccccc2[O-])CC1)C(=O)OC(C)(C)C ZINC000179584396 1034511525 /nfs/dbraw/zinc/51/15/25/1034511525.db2.gz HAPLTZKBZMVIRH-UHFFFAOYSA-N 0 3 348.487 3.861 20 10 EHCDHN CC[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000156730635 1035746684 /nfs/dbraw/zinc/74/66/84/1035746684.db2.gz ZWUITYUKOBHIPD-CQSZACIVSA-N 0 3 340.345 3.926 20 10 EHCDHN Cc1cc(C)c(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000178132077 1035841796 /nfs/dbraw/zinc/84/17/96/1035841796.db2.gz UQJLGOHZLYPSIZ-QGZVFWFLSA-N 0 3 339.483 3.967 20 10 EHCDHN COc1cc(Cl)cc(C[NH+]2CCC(C3CCOCC3)CC2)c1[O-] ZINC000363908008 1038873789 /nfs/dbraw/zinc/87/37/89/1038873789.db2.gz KIMWLLMBQHFEMJ-UHFFFAOYSA-N 0 3 339.863 3.693 20 10 EHCDHN Cc1cc(CN2CCN(c3ccccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000125596447 1042412135 /nfs/dbraw/zinc/41/21/35/1042412135.db2.gz LMIOOLAIVXDIDZ-UHFFFAOYSA-N 0 3 339.483 3.715 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000183546708 1125598778 /nfs/dbraw/zinc/59/87/78/1125598778.db2.gz DLXYXVMCNSQJLT-FVQBIDKESA-N 0 3 334.460 3.879 20 10 EHCDHN CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccccc3[O-])cc2)n1 ZINC000183596469 1125613931 /nfs/dbraw/zinc/61/39/31/1125613931.db2.gz NRUGFSZUPJVQJK-CQSZACIVSA-N 0 3 337.423 3.898 20 10 EHCDHN COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185682194 1126978007 /nfs/dbraw/zinc/97/80/07/1126978007.db2.gz FBPYVFSUXIZZTH-CQSZACIVSA-N 0 3 333.403 3.716 20 10 EHCDHN COC(=O)c1cccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000917074047 1122470519 /nfs/dbraw/zinc/47/05/19/1122470519.db2.gz OALLZSVEHNCEQJ-UHFFFAOYSA-N 0 3 338.451 3.704 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cc(C)ccc1C ZINC000727830757 1130597294 /nfs/dbraw/zinc/59/72/94/1130597294.db2.gz MASFWCHTGNNYFK-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cc(C)ccc1C ZINC000727830757 1130597297 /nfs/dbraw/zinc/59/72/97/1130597297.db2.gz MASFWCHTGNNYFK-IBGZPJMESA-N 0 3 343.467 3.661 20 10 EHCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000733324440 1131025006 /nfs/dbraw/zinc/02/50/06/1131025006.db2.gz BGKIPHSBVJFVKY-UHFFFAOYSA-N 0 3 344.886 3.842 20 10 EHCDHN COc1ccc(N2CCN(Cc3cc(C)nc4ccccc34)CC2)cc1 ZINC000736308567 1131415062 /nfs/dbraw/zinc/41/50/62/1131415062.db2.gz POWHWMPITJCJDK-UHFFFAOYSA-N 0 3 347.462 3.874 20 10 EHCDHN Cc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000767382703 1132994837 /nfs/dbraw/zinc/99/48/37/1132994837.db2.gz VUBXSAODOLLUKW-UHFFFAOYSA-N 0 3 337.467 3.778 20 10 EHCDHN CCOc1ccc(CNCc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC000767418338 1132998330 /nfs/dbraw/zinc/99/83/30/1132998330.db2.gz XGSIVNDCLDDCIL-UHFFFAOYSA-N 0 3 330.428 3.653 20 10 EHCDHN COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1c([O-])cccc1OC ZINC000768339501 1133126394 /nfs/dbraw/zinc/12/63/94/1133126394.db2.gz SJEBNNZKUXURST-SFHVURJKSA-N 0 3 327.424 3.919 20 10 EHCDHN COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768339501 1133126396 /nfs/dbraw/zinc/12/63/96/1133126396.db2.gz SJEBNNZKUXURST-SFHVURJKSA-N 0 3 327.424 3.919 20 10 EHCDHN CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438515 1133138036 /nfs/dbraw/zinc/13/80/36/1133138036.db2.gz AYEWDGLRFFSSOC-IFXJQAMLSA-N 0 3 327.424 3.619 20 10 EHCDHN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438515 1133138038 /nfs/dbraw/zinc/13/80/38/1133138038.db2.gz AYEWDGLRFFSSOC-IFXJQAMLSA-N 0 3 327.424 3.619 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446498 1133140461 /nfs/dbraw/zinc/14/04/61/1133140461.db2.gz KQSPWIIGCJPCSL-SXGZJXTBSA-N 0 3 339.435 3.504 20 10 EHCDHN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768446498 1133140463 /nfs/dbraw/zinc/14/04/63/1133140463.db2.gz KQSPWIIGCJPCSL-SXGZJXTBSA-N 0 3 339.435 3.504 20 10 EHCDHN C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465513 1133144396 /nfs/dbraw/zinc/14/43/96/1133144396.db2.gz ILMUYLLNJOVJFF-JLBUNGTFSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465513 1133144397 /nfs/dbraw/zinc/14/43/97/1133144397.db2.gz ILMUYLLNJOVJFF-JLBUNGTFSA-N 0 3 343.398 3.540 20 10 EHCDHN [O-]c1ccccc1C[N@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CCCO1 ZINC000768541968 1133152972 /nfs/dbraw/zinc/15/29/72/1133152972.db2.gz NRLXEEZMJVZNRZ-KRWDZBQOSA-N 0 3 347.405 3.894 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CCCO1 ZINC000768541968 1133152975 /nfs/dbraw/zinc/15/29/75/1133152975.db2.gz NRLXEEZMJVZNRZ-KRWDZBQOSA-N 0 3 347.405 3.894 20 10 EHCDHN CCN(CC)c1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1F ZINC000769003756 1133220260 /nfs/dbraw/zinc/22/02/60/1133220260.db2.gz IIBWGSWSZVHIHK-UHFFFAOYSA-N 0 3 330.451 3.775 20 10 EHCDHN CCC[N@H+](Cc1cc2c(c(OC)c1)OCO2)Cc1ccccc1[O-] ZINC000769201762 1133243207 /nfs/dbraw/zinc/24/32/07/1133243207.db2.gz YJXGWIFYXQZMCG-UHFFFAOYSA-N 0 3 329.396 3.542 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)Cc1ccccc1[O-] ZINC000769201762 1133243213 /nfs/dbraw/zinc/24/32/13/1133243213.db2.gz YJXGWIFYXQZMCG-UHFFFAOYSA-N 0 3 329.396 3.542 20 10 EHCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000769244416 1133250525 /nfs/dbraw/zinc/25/05/25/1133250525.db2.gz NZZKBJIENRKSLP-CQSZACIVSA-N 0 3 340.261 3.928 20 10 EHCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000769244416 1133250531 /nfs/dbraw/zinc/25/05/31/1133250531.db2.gz NZZKBJIENRKSLP-CQSZACIVSA-N 0 3 340.261 3.928 20 10 EHCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000769417967 1133280452 /nfs/dbraw/zinc/28/04/52/1133280452.db2.gz YENNPJJWIBNLBT-WZRBSPASSA-N 0 3 338.423 3.582 20 10 EHCDHN COc1cccc(O)c1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000769475039 1133299986 /nfs/dbraw/zinc/29/99/86/1133299986.db2.gz UDWDUILARKWSBY-OAHLLOKOSA-N 0 3 343.398 3.635 20 10 EHCDHN COc1cccc([O-])c1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000769506208 1133304128 /nfs/dbraw/zinc/30/41/28/1133304128.db2.gz DCDQYPZNKVKVEF-IBGZPJMESA-N 0 3 341.451 3.663 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000769506208 1133304132 /nfs/dbraw/zinc/30/41/32/1133304132.db2.gz DCDQYPZNKVKVEF-IBGZPJMESA-N 0 3 341.451 3.663 20 10 EHCDHN Oc1cc2c(cc1CN1CCC(c3cccc(F)c3F)CC1)OCO2 ZINC000769782290 1133344729 /nfs/dbraw/zinc/34/47/29/1133344729.db2.gz PYVXKOJNHIIQQS-UHFFFAOYSA-N 0 3 347.361 3.779 20 10 EHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000769934766 1133369909 /nfs/dbraw/zinc/36/99/09/1133369909.db2.gz OSANSKMXPHBHBL-SFHVURJKSA-N 0 3 325.433 3.944 20 10 EHCDHN OC[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ccsc1 ZINC000769934766 1133369911 /nfs/dbraw/zinc/36/99/11/1133369911.db2.gz OSANSKMXPHBHBL-SFHVURJKSA-N 0 3 325.433 3.944 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3c(C)cccc3C)c2)CC1 ZINC000770144816 1133392390 /nfs/dbraw/zinc/39/23/90/1133392390.db2.gz WQGREVJTFXERES-UHFFFAOYSA-N 0 3 337.467 3.698 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)CCC4)c2)CC1 ZINC000770148929 1133393262 /nfs/dbraw/zinc/39/32/62/1133393262.db2.gz SSTHNAJSQQRKAD-UHFFFAOYSA-N 0 3 349.478 3.570 20 10 EHCDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)cc(C)c3)c2)CC1 ZINC000770154329 1133396261 /nfs/dbraw/zinc/39/62/61/1133396261.db2.gz PFSZKAFOOLJSRL-UHFFFAOYSA-N 0 3 337.467 3.698 20 10 EHCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000772442249 1133685870 /nfs/dbraw/zinc/68/58/70/1133685870.db2.gz DIBWBBMIYLLLDD-INIZCTEOSA-N 0 3 327.497 3.794 20 10 EHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1c(F)cccc1F ZINC000774481645 1133687092 /nfs/dbraw/zinc/68/70/92/1133687092.db2.gz CMFOJKIGVWZNPH-CHWSQXEVSA-N 0 3 347.409 3.709 20 10 EHCDHN CCN(C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000774485889 1133688896 /nfs/dbraw/zinc/68/88/96/1133688896.db2.gz UZZPBKXVDPTVCX-SJORKVTESA-N 0 3 339.483 3.845 20 10 EHCDHN C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)c1cc(F)ccc1[O-] ZINC000785569845 1133728909 /nfs/dbraw/zinc/72/89/09/1133728909.db2.gz LLERZBXPCDRKDD-ZDUSSCGKSA-N 0 3 348.849 3.894 20 10 EHCDHN CCc1cccc(CNCc2ccc(OC(F)F)cc2F)c1O ZINC001183354888 1133793216 /nfs/dbraw/zinc/79/32/16/1133793216.db2.gz IPQBDJFZYQNFLF-UHFFFAOYSA-N 0 3 325.330 3.985 20 10 EHCDHN [O-]c1ccccc1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789757412 1134326676 /nfs/dbraw/zinc/32/66/76/1134326676.db2.gz MHOWFRHZCUFIFL-UHFFFAOYSA-N 0 3 332.831 3.732 20 10 EHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000790403086 1134416842 /nfs/dbraw/zinc/41/68/42/1134416842.db2.gz MNBJHZJGTUQNOL-RZQQEMMASA-N 0 3 333.472 3.592 20 10 EHCDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC12CCC2 ZINC000792231684 1134669257 /nfs/dbraw/zinc/66/92/57/1134669257.db2.gz MFWKHOFJKKLYSZ-QGZVFWFLSA-N 0 3 329.440 3.623 20 10 EHCDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC12CCC2 ZINC000792231684 1134669262 /nfs/dbraw/zinc/66/92/62/1134669262.db2.gz MFWKHOFJKKLYSZ-QGZVFWFLSA-N 0 3 329.440 3.623 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccccc1[O-] ZINC000775492188 1134942216 /nfs/dbraw/zinc/94/22/16/1134942216.db2.gz NFHHMOXNTQRKNJ-QGZVFWFLSA-N 0 3 326.396 3.590 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccccc1[O-] ZINC000775503701 1134973220 /nfs/dbraw/zinc/97/32/20/1134973220.db2.gz MWTPWSAIEXFJNW-GOSISDBHSA-N 0 3 342.439 3.586 20 10 EHCDHN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000793638659 1134975552 /nfs/dbraw/zinc/97/55/52/1134975552.db2.gz OLCAUMCRNUKAJF-GOSISDBHSA-N 0 3 348.874 3.755 20 10 EHCDHN CN1CC[C@]2(CC[N@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C2)C1 ZINC000793768038 1134986936 /nfs/dbraw/zinc/98/69/36/1134986936.db2.gz QAENZALRUVJBHE-NRFANRHFSA-N 0 3 340.467 3.545 20 10 EHCDHN CN1CC[C@]2(CC[N@@H+](Cc3c4c(ccc3[O-])oc3c4CCCC3)C2)C1 ZINC000793768038 1134986939 /nfs/dbraw/zinc/98/69/39/1134986939.db2.gz QAENZALRUVJBHE-NRFANRHFSA-N 0 3 340.467 3.545 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)c2c1c(F)ccc2[O-] ZINC000775561883 1135091977 /nfs/dbraw/zinc/09/19/77/1135091977.db2.gz GFMAYGIAFOLOTJ-WBMJQRKESA-N 0 3 339.414 3.799 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000806175023 1135398461 /nfs/dbraw/zinc/39/84/61/1135398461.db2.gz SEKLAIUVNSCARD-QLJPJBMISA-N 0 3 343.320 3.934 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)c1[O-] ZINC000808672827 1135713937 /nfs/dbraw/zinc/71/39/37/1135713937.db2.gz HIJQHJRJQJPYKM-UKRRQHHQSA-N 0 3 327.852 3.590 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000808675536 1135714115 /nfs/dbraw/zinc/71/41/15/1135714115.db2.gz KMTFWQMYFAMNMW-ABAIWWIYSA-N 0 3 331.847 3.661 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000808712617 1135719197 /nfs/dbraw/zinc/71/91/97/1135719197.db2.gz AHYKREAHBDCPCZ-YOEHRIQHSA-N 0 3 333.859 3.998 20 10 EHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])[C@@]12CCCO2 ZINC000808713557 1135719247 /nfs/dbraw/zinc/71/92/47/1135719247.db2.gz IUELDDOTJYKOHY-UOUZQGKXSA-N 0 3 339.863 3.731 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000808697274 1135725370 /nfs/dbraw/zinc/72/53/70/1135725370.db2.gz BBTPMPSVWDJVIV-BDJLRTHQSA-N 0 3 325.861 3.974 20 10 EHCDHN CC(C)CCC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832707 1135792765 /nfs/dbraw/zinc/79/27/65/1135792765.db2.gz ANOUBHJYGDBOPY-IRXDYDNUSA-N 0 3 333.520 3.734 20 10 EHCDHN CCc1cc(CCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)on1 ZINC000809575944 1135852573 /nfs/dbraw/zinc/85/25/73/1135852573.db2.gz NJKYVODXKPGYKF-LJQANCHMSA-N 0 3 344.455 3.556 20 10 EHCDHN CCc1cc(CCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)on1 ZINC000809575944 1135852577 /nfs/dbraw/zinc/85/25/77/1135852577.db2.gz NJKYVODXKPGYKF-LJQANCHMSA-N 0 3 344.455 3.556 20 10 EHCDHN CC[C@H](CSC)[N@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809767391 1135879748 /nfs/dbraw/zinc/87/97/48/1135879748.db2.gz JRVUBRWMIZWOJU-GFCCVEGCSA-N 0 3 348.306 3.737 20 10 EHCDHN CC[C@H](CSC)[N@@H+](C)Cc1cc(Br)cc(OC)c1[O-] ZINC000809767391 1135879751 /nfs/dbraw/zinc/87/97/51/1135879751.db2.gz JRVUBRWMIZWOJU-GFCCVEGCSA-N 0 3 348.306 3.737 20 10 EHCDHN COc1cc(CNCc2ccc3c(c2)CCO3)cc(Cl)c1OC ZINC001199934194 1135939689 /nfs/dbraw/zinc/93/96/89/1135939689.db2.gz QZLIJUCKALACCS-UHFFFAOYSA-N 0 3 333.815 3.582 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000810258950 1135943988 /nfs/dbraw/zinc/94/39/88/1135943988.db2.gz AGHZCDHGNIBOEI-IAQYHMDHSA-N 0 3 342.277 3.665 20 10 EHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCn1cccn1 ZINC000776264546 1136115503 /nfs/dbraw/zinc/11/55/03/1136115503.db2.gz JOCPKAXPEOZRIV-FQEVSTJZSA-N 0 3 335.451 3.943 20 10 EHCDHN COc1cc(CN[C@H](CO)c2cccc(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850138853 1136214243 /nfs/dbraw/zinc/21/42/43/1136214243.db2.gz KNUQOIHDZOKMEN-GOSISDBHSA-N 0 3 347.430 3.661 20 10 EHCDHN Cc1ncc(CNCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)n1C ZINC000850285264 1136231415 /nfs/dbraw/zinc/23/14/15/1136231415.db2.gz RHZSXMOSHMLCFT-CQSZACIVSA-N 0 3 346.906 3.908 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2c3c(nn2C)CCCC3)cc1 ZINC000812737503 1136239982 /nfs/dbraw/zinc/23/99/82/1136239982.db2.gz PIZSQOLYSCFYIS-HNNXBMFYSA-N 0 3 326.488 3.606 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(C)cc1[O-] ZINC000812741542 1136240371 /nfs/dbraw/zinc/24/03/71/1136240371.db2.gz VEVVEIYLJWFEHA-PBHICJAKSA-N 0 3 342.414 3.686 20 10 EHCDHN CC[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000812780537 1136246606 /nfs/dbraw/zinc/24/66/06/1136246606.db2.gz HUJJNTLFHQUJFY-SFHVURJKSA-N 0 3 327.424 3.582 20 10 EHCDHN CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCOC1 ZINC000812780537 1136246609 /nfs/dbraw/zinc/24/66/09/1136246609.db2.gz HUJJNTLFHQUJFY-SFHVURJKSA-N 0 3 327.424 3.582 20 10 EHCDHN CCC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccn1 ZINC000850567372 1136287502 /nfs/dbraw/zinc/28/75/02/1136287502.db2.gz BAGHFYJLRYOJCY-HXUWFJFHSA-N 0 3 339.483 3.674 20 10 EHCDHN COC(CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000851879341 1136415728 /nfs/dbraw/zinc/41/57/28/1136415728.db2.gz IJMWNYSSFMIIEQ-MRXNPFEDSA-N 0 3 329.440 3.964 20 10 EHCDHN COC(CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)OC ZINC000851879341 1136415729 /nfs/dbraw/zinc/41/57/29/1136415729.db2.gz IJMWNYSSFMIIEQ-MRXNPFEDSA-N 0 3 329.440 3.964 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1ccccc1[O-] ZINC000111234998 1136524781 /nfs/dbraw/zinc/52/47/81/1136524781.db2.gz ULAPMERRSOAGLJ-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1ccccc1[O-] ZINC000111234998 1136524783 /nfs/dbraw/zinc/52/47/83/1136524783.db2.gz ULAPMERRSOAGLJ-UHFFFAOYSA-N 0 3 334.419 3.998 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815123086 1136553598 /nfs/dbraw/zinc/55/35/98/1136553598.db2.gz VZHHHYRHXKNCHW-CQSZACIVSA-N 0 3 332.241 3.802 20 10 EHCDHN Cc1cccnc1OC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815104838 1136557001 /nfs/dbraw/zinc/55/70/01/1136557001.db2.gz WGIOYTPLSZXHIA-UHFFFAOYSA-N 0 3 339.483 3.808 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1[O-] ZINC000854224479 1136599479 /nfs/dbraw/zinc/59/94/79/1136599479.db2.gz MXRDYKATVNKLIG-BHIYHBOVSA-N 0 3 328.431 3.718 20 10 EHCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000854248054 1136601195 /nfs/dbraw/zinc/60/11/95/1136601195.db2.gz MUHWVUFMBSSQSY-KRWDZBQOSA-N 0 3 347.503 3.577 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000815559213 1136610927 /nfs/dbraw/zinc/61/09/27/1136610927.db2.gz AIZRVSGJNNABFW-MRXNPFEDSA-N 0 3 325.456 3.724 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000776767498 1136656092 /nfs/dbraw/zinc/65/60/92/1136656092.db2.gz SQBNGDBHHCVKPK-OAQYLSRUSA-N 0 3 337.394 3.778 20 10 EHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000776767498 1136656094 /nfs/dbraw/zinc/65/60/94/1136656094.db2.gz SQBNGDBHHCVKPK-OAQYLSRUSA-N 0 3 337.394 3.778 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170849570 1136769642 /nfs/dbraw/zinc/76/96/42/1136769642.db2.gz MOAVYNLZULDKIF-MRXNPFEDSA-N 0 3 332.241 3.802 20 10 EHCDHN C[C@@H]([NH2+]CC1(N)CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000817939009 1136848276 /nfs/dbraw/zinc/84/82/76/1136848276.db2.gz XLIXILDDOBHSAO-SNVBAGLBSA-N 0 3 345.256 3.606 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000817979577 1136854934 /nfs/dbraw/zinc/85/49/34/1136854934.db2.gz LXJFKSWTTDOOOZ-ZUEVXXBESA-N 0 3 346.421 3.714 20 10 EHCDHN CC[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357026 1136875783 /nfs/dbraw/zinc/87/57/83/1136875783.db2.gz URFQYMBAJOUOEX-JOYOIKCWSA-N 0 3 338.404 3.576 20 10 EHCDHN Cc1ccc([C@H](O)[C@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858163345 1136945754 /nfs/dbraw/zinc/94/57/54/1136945754.db2.gz DVXOMFOZDNLFQP-ORAYPTAESA-N 0 3 334.410 3.551 20 10 EHCDHN Cc1cc(CNCc2cnn3c2CCC3)c(C)n1-c1cccc(C)c1 ZINC000858293048 1136955396 /nfs/dbraw/zinc/95/53/96/1136955396.db2.gz IQEBERVXVDSZSN-UHFFFAOYSA-N 0 3 334.467 3.835 20 10 EHCDHN CC1(C)C[C@H](c2ccccc2)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000819901200 1136965852 /nfs/dbraw/zinc/96/58/52/1136965852.db2.gz VDHKWDOPKQEJSL-IEBWSBKVSA-N 0 3 339.435 3.791 20 10 EHCDHN CC1(C)C[C@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000819901200 1136965854 /nfs/dbraw/zinc/96/58/54/1136965854.db2.gz VDHKWDOPKQEJSL-IEBWSBKVSA-N 0 3 339.435 3.791 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858447766 1136968785 /nfs/dbraw/zinc/96/87/85/1136968785.db2.gz IQQIUDOANLYLOI-XJKSGUPXSA-N 0 3 340.393 3.793 20 10 EHCDHN Cc1cc(C)c([C@H](C)NCc2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000858451953 1136969161 /nfs/dbraw/zinc/96/91/61/1136969161.db2.gz DXXMDCZHSDFYDD-NSHDSACASA-N 0 3 327.350 3.612 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[O-] ZINC000858537733 1136976907 /nfs/dbraw/zinc/97/69/07/1136976907.db2.gz RAUDWIHVGJZELS-MZKGEVEHSA-N 0 3 348.830 3.635 20 10 EHCDHN CCN1CCCC[C@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001136755442 1137107671 /nfs/dbraw/zinc/10/76/71/1137107671.db2.gz WCEMERQRCQVEHK-INIZCTEOSA-N 0 3 345.512 3.760 20 10 EHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000862478793 1137145979 /nfs/dbraw/zinc/14/59/79/1137145979.db2.gz QSWXGXMHPQCEEA-DOTOQJQBSA-N 0 3 348.487 3.826 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(OC)c2ccccc2)c1[O-] ZINC000824780519 1137151797 /nfs/dbraw/zinc/15/17/97/1137151797.db2.gz RMVHHZSBWBMFGL-SFHVURJKSA-N 0 3 335.831 3.706 20 10 EHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC001202514256 1137240517 /nfs/dbraw/zinc/24/05/17/1137240517.db2.gz VTQHWNZGTZHUJP-IBGZPJMESA-N 0 3 349.478 3.796 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1[O-] ZINC000794800932 1137252149 /nfs/dbraw/zinc/25/21/49/1137252149.db2.gz FSTHQTXQULEBAQ-QFBILLFUSA-N 0 3 331.431 3.732 20 10 EHCDHN CC[C@H]([NH2+]CCNC(=O)c1ccc(C)c(F)c1)c1ccc(C)cc1[O-] ZINC000794793756 1137253034 /nfs/dbraw/zinc/25/30/34/1137253034.db2.gz BVLYANAVXKTYTA-SFHVURJKSA-N 0 3 344.430 3.619 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]CC[C@H]2CCCS2)c1[O-] ZINC000865724652 1137306729 /nfs/dbraw/zinc/30/67/29/1137306729.db2.gz BGYAMFWSHOHILP-GFCCVEGCSA-N 0 3 346.290 3.539 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846009463 1137325224 /nfs/dbraw/zinc/32/52/24/1137325224.db2.gz ACJULKNUMDGNIW-LJQANCHMSA-N 0 3 347.842 3.538 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846009463 1137325226 /nfs/dbraw/zinc/32/52/26/1137325226.db2.gz ACJULKNUMDGNIW-LJQANCHMSA-N 0 3 347.842 3.538 20 10 EHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000866548965 1137364135 /nfs/dbraw/zinc/36/41/35/1137364135.db2.gz XFCZSWNLZJMUMU-OAGGEKHMSA-N 0 3 348.487 3.963 20 10 EHCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1Br ZINC000121141082 1137368354 /nfs/dbraw/zinc/36/83/54/1137368354.db2.gz NEDGIEMHFNIRRG-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1Br ZINC000121141082 1137368356 /nfs/dbraw/zinc/36/83/56/1137368356.db2.gz NEDGIEMHFNIRRG-UHFFFAOYSA-N 0 3 336.229 3.795 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC001171871294 1137514912 /nfs/dbraw/zinc/51/49/12/1137514912.db2.gz KMJGTHCIIGADMW-WMZOPIPTSA-N 0 3 338.451 3.738 20 10 EHCDHN CCCOc1ccc(CNCc2ccc(NC(N)=O)cc2)cc1C ZINC000873010616 1137588005 /nfs/dbraw/zinc/58/80/05/1137588005.db2.gz NGTQCEAOQVJUPH-UHFFFAOYSA-N 0 3 327.428 3.564 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000877195777 1137672694 /nfs/dbraw/zinc/67/26/94/1137672694.db2.gz QRDRLSPEWAURDW-CYBMUJFWSA-N 0 3 339.361 3.753 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000877195777 1137672695 /nfs/dbraw/zinc/67/26/95/1137672695.db2.gz QRDRLSPEWAURDW-CYBMUJFWSA-N 0 3 339.361 3.753 20 10 EHCDHN CCN(Cc1occc1C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877589434 1137682190 /nfs/dbraw/zinc/68/21/90/1137682190.db2.gz DYJFBGDSFTVXTB-UHFFFAOYSA-N 0 3 328.456 3.571 20 10 EHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1[O-] ZINC000877645795 1137684312 /nfs/dbraw/zinc/68/43/12/1137684312.db2.gz WSJUOYAOKDTHHA-QGZVFWFLSA-N 0 3 332.831 3.540 20 10 EHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c1[O-] ZINC000877645795 1137684313 /nfs/dbraw/zinc/68/43/13/1137684313.db2.gz WSJUOYAOKDTHHA-QGZVFWFLSA-N 0 3 332.831 3.540 20 10 EHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000126693269 1137688072 /nfs/dbraw/zinc/68/80/72/1137688072.db2.gz DIULFMXOIBPUMC-AWEZNQCLSA-N 0 3 325.412 3.828 20 10 EHCDHN C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccccc1[O-] ZINC000877756495 1137688326 /nfs/dbraw/zinc/68/83/26/1137688326.db2.gz MLWOSKPMTCUQJM-CYBMUJFWSA-N 0 3 332.394 3.990 20 10 EHCDHN COc1cc(Cl)cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1O ZINC000877827908 1137692355 /nfs/dbraw/zinc/69/23/55/1137692355.db2.gz ZRCBRNXQGNQPFD-SNVBAGLBSA-N 0 3 336.775 3.813 20 10 EHCDHN Cc1ccc([C@@H](NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])C2CC2)cc1 ZINC000879648901 1137753548 /nfs/dbraw/zinc/75/35/48/1137753548.db2.gz FWIQEKMLDWRPKE-QVKFZJNVSA-N 0 3 338.451 3.619 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC000879649615 1137753659 /nfs/dbraw/zinc/75/36/59/1137753659.db2.gz YNZKARGMRDQTGK-TZMCWYRMSA-N 0 3 339.357 3.665 20 10 EHCDHN CCC[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879648774 1137753694 /nfs/dbraw/zinc/75/36/94/1137753694.db2.gz DBPILAQPBYNFAS-QAPCUYQASA-N 0 3 326.440 3.700 20 10 EHCDHN CCC(=O)N1CCCN(Cc2cc(CC)cc(C(C)(C)C)c2O)CC1 ZINC000128731455 1137796314 /nfs/dbraw/zinc/79/63/14/1137796314.db2.gz WCSNVJRKLJVIKG-UHFFFAOYSA-N 0 3 346.515 3.696 20 10 EHCDHN Cc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1 ZINC000134373983 1137957443 /nfs/dbraw/zinc/95/74/43/1137957443.db2.gz IBYONCFULBXCNN-MRXNPFEDSA-N 0 3 347.409 3.750 20 10 EHCDHN CCOCc1cc(CN[C@@H]2CCc3c2cccc3O)ccc1OC ZINC000264371356 1138491895 /nfs/dbraw/zinc/49/18/95/1138491895.db2.gz LRZRSMZJXUFKGM-GOSISDBHSA-N 0 3 327.424 3.714 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCCOC1 ZINC000183050722 1140010483 /nfs/dbraw/zinc/01/04/83/1140010483.db2.gz LVQPCIJPLRBFLU-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H]1CCCOC1 ZINC000183050722 1140010489 /nfs/dbraw/zinc/01/04/89/1140010489.db2.gz LVQPCIJPLRBFLU-GOSISDBHSA-N 0 3 341.451 3.830 20 10 EHCDHN C[C@H](NCc1cccnc1OCC(F)(F)F)c1ccccc1O ZINC000183409130 1140035707 /nfs/dbraw/zinc/03/57/07/1140035707.db2.gz AEEMGIGWPFMEBS-NSHDSACASA-N 0 3 326.318 3.579 20 10 EHCDHN COc1ccc(C2(C[NH2+][C@H](C)c3ccccc3[O-])CCOCC2)cc1 ZINC000183444984 1140038801 /nfs/dbraw/zinc/03/88/01/1140038801.db2.gz YKDBFPUZSWQRDF-MRXNPFEDSA-N 0 3 341.451 3.800 20 10 EHCDHN CCCCOc1ncccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000185143645 1140137497 /nfs/dbraw/zinc/13/74/97/1140137497.db2.gz XKBBFQDUZJNGLN-AWEZNQCLSA-N 0 3 330.428 3.826 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1[O-] ZINC000185208970 1140140168 /nfs/dbraw/zinc/14/01/68/1140140168.db2.gz NNOYPPVBNROHNN-IBGZPJMESA-N 0 3 338.451 3.756 20 10 EHCDHN COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])c(OC)c1OC ZINC000185327410 1140145206 /nfs/dbraw/zinc/14/52/06/1140145206.db2.gz OPLRQCMYWUGKFQ-CQSZACIVSA-N 0 3 345.439 3.620 20 10 EHCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000268759546 1140984551 /nfs/dbraw/zinc/98/45/51/1140984551.db2.gz MXSJFOHANLBCRV-INIZCTEOSA-N 0 3 339.483 3.695 20 10 EHCDHN Oc1ccccc1CN(Cc1cc(F)cc(F)c1)C[C@H]1CCCO1 ZINC000160168207 1014177035 /nfs/dbraw/zinc/17/70/35/1014177035.db2.gz CLDDANIZYHWKHR-GOSISDBHSA-N 0 3 333.378 3.852 20 10 EHCDHN CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000163803847 1018468444 /nfs/dbraw/zinc/46/84/44/1018468444.db2.gz KICHGEYELXLDML-HNAYVOBHSA-N 0 3 343.446 3.859 20 10 EHCDHN CC(C)c1ccoc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247829 1019094773 /nfs/dbraw/zinc/09/47/73/1019094773.db2.gz KQGJIHVHDHAJLJ-SFHVURJKSA-N 0 3 343.471 3.502 20 10 EHCDHN COc1cc(C)cc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1O ZINC000894206603 1019196399 /nfs/dbraw/zinc/19/63/99/1019196399.db2.gz GTTCVNPYKBPNTE-MJGOQNOKSA-N 0 3 345.414 3.858 20 10 EHCDHN CCN(Cc1ccccc1)c1ccc(CNCc2cnn(C)c2)cc1 ZINC000067223476 1020612753 /nfs/dbraw/zinc/61/27/53/1020612753.db2.gz JZZBJEUIUWFMTJ-UHFFFAOYSA-N 0 3 334.467 3.736 20 10 EHCDHN COc1cc(C)cc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)c1O ZINC000894471765 1022355612 /nfs/dbraw/zinc/35/56/12/1022355612.db2.gz XIYYAAKJVMYRRP-ZDUSSCGKSA-N 0 3 331.460 3.820 20 10 EHCDHN COc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)c(O)c1OC ZINC000891991631 1024237739 /nfs/dbraw/zinc/23/77/39/1024237739.db2.gz FMUWKQIVFCVEDZ-NSHDSACASA-N 0 3 336.457 3.676 20 10 EHCDHN CC1=NO[C@H](CNCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000895299908 1024245329 /nfs/dbraw/zinc/24/53/29/1024245329.db2.gz IJRCWFCALPDOGC-KRWDZBQOSA-N 0 3 329.469 3.639 20 10 EHCDHN COc1ccc(CN2CC[C@@H](C)C[C@H]2c2ccco2)c(O)c1OC ZINC000892154420 1025051158 /nfs/dbraw/zinc/05/11/58/1025051158.db2.gz YEQMSGSSGBLLGD-HIFRSBDPSA-N 0 3 331.412 3.976 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(Br)ccc1[O-] ZINC000044534537 1025937332 /nfs/dbraw/zinc/93/73/32/1025937332.db2.gz IINPGTBMAFFWDO-IUODEOHRSA-N 0 3 341.293 3.537 20 10 EHCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000273213378 1027315907 /nfs/dbraw/zinc/31/59/07/1027315907.db2.gz UFCDAQNZSIEWFH-YJBOKZPZSA-N 0 3 327.424 3.628 20 10 EHCDHN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000273379393 1027404067 /nfs/dbraw/zinc/40/40/67/1027404067.db2.gz HYBIPKSDQIYTSD-AWEZNQCLSA-N 0 3 345.439 3.886 20 10 EHCDHN Cc1cccc(CN[C@@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897331526 1028327627 /nfs/dbraw/zinc/32/76/27/1028327627.db2.gz SHPXJPBDCWAKEN-HNNXBMFYSA-N 0 3 325.330 3.543 20 10 EHCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000382464940 1028995863 /nfs/dbraw/zinc/99/58/63/1028995863.db2.gz ZSJAHPJMOPQDKB-KBMXLJTQSA-N 0 3 346.471 3.663 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000156339934 1029807182 /nfs/dbraw/zinc/80/71/82/1029807182.db2.gz XIRNGMXSCRWHSI-CJNGLKHVSA-N 0 3 331.847 3.760 20 10 EHCDHN COCC[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761192266 1034377019 /nfs/dbraw/zinc/37/70/19/1034377019.db2.gz IXJZLTVNVAAMER-UHFFFAOYSA-N 0 3 349.858 3.745 20 10 EHCDHN COCC[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761192266 1034377032 /nfs/dbraw/zinc/37/70/32/1034377032.db2.gz IXJZLTVNVAAMER-UHFFFAOYSA-N 0 3 349.858 3.745 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000156983019 1036404482 /nfs/dbraw/zinc/40/44/82/1036404482.db2.gz RTFZJVBXCOKQJE-HZPDHXFCSA-N 0 3 334.460 3.736 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000927017099 1038677073 /nfs/dbraw/zinc/67/70/73/1038677073.db2.gz VTBLMBWGXUXUCV-DZGCQCFKSA-N 0 3 339.863 3.733 20 10 EHCDHN Fc1ccc(C2(NCc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000237830543 1039436535 /nfs/dbraw/zinc/43/65/35/1039436535.db2.gz GIDMQVZWNJFFGU-UHFFFAOYSA-N 0 3 327.399 3.556 20 10 EHCDHN CC(C)n1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000163630955 1040445504 /nfs/dbraw/zinc/44/55/04/1040445504.db2.gz TZFGPHNYMGANBO-INIZCTEOSA-N 0 3 344.528 3.868 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccccc1[O-] ZINC000156335777 1041122236 /nfs/dbraw/zinc/12/22/36/1041122236.db2.gz GLLDWBABNZXEIY-NVXWUHKLSA-N 0 3 326.440 3.720 20 10 EHCDHN COc1cc(C)cc(CN2CCN(c3cccc(Cl)c3)CC2)c1O ZINC000125437313 1042090631 /nfs/dbraw/zinc/09/06/31/1042090631.db2.gz JNOQEKLPUSOJAP-UHFFFAOYSA-N 0 3 346.858 3.685 20 10 EHCDHN C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccccc1[O-] ZINC000183609395 1125617726 /nfs/dbraw/zinc/61/77/26/1125617726.db2.gz ADKYELBFIPUQQT-ZDUSSCGKSA-N 0 3 325.437 3.804 20 10 EHCDHN C[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000185326904 1126870369 /nfs/dbraw/zinc/87/03/69/1126870369.db2.gz CRVBFAYMRYVHMV-BZNIZROVSA-N 0 3 343.320 3.632 20 10 EHCDHN COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)c1 ZINC000185481262 1126906570 /nfs/dbraw/zinc/90/65/70/1126906570.db2.gz ULQIZQZIODDFJZ-ZBFHGGJFSA-N 0 3 344.430 3.860 20 10 EHCDHN CCCOc1ccc(CNCc2ccc(N3CCCC3)cc2)cn1 ZINC001648824996 1120048908 /nfs/dbraw/zinc/04/89/08/1120048908.db2.gz VXVCEOBAMJDIAW-UHFFFAOYSA-N 0 3 325.456 3.760 20 10 EHCDHN COc1cc(O)c(CN(C)Cc2ccc(F)c(Cl)c2)cc1OC ZINC000762120344 1121111083 /nfs/dbraw/zinc/11/10/83/1121111083.db2.gz OFJQIUKJEYQISN-UHFFFAOYSA-N 0 3 339.794 3.834 20 10 EHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000134229832 1123505723 /nfs/dbraw/zinc/50/57/23/1123505723.db2.gz CJZFEXYOGSEDOO-AWEZNQCLSA-N 0 3 334.213 3.768 20 10 EHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179560155 1123796871 /nfs/dbraw/zinc/79/68/71/1123796871.db2.gz DMPLLXKVVHJQRB-IRXDYDNUSA-N 0 3 338.234 3.789 20 10 EHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179560155 1123796877 /nfs/dbraw/zinc/79/68/77/1123796877.db2.gz DMPLLXKVVHJQRB-IRXDYDNUSA-N 0 3 338.234 3.789 20 10 EHCDHN CN(Cc1ccccc1O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179560155 1123796883 /nfs/dbraw/zinc/79/68/83/1123796883.db2.gz DMPLLXKVVHJQRB-IRXDYDNUSA-N 0 3 338.234 3.789 20 10 EHCDHN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082383 1125441801 /nfs/dbraw/zinc/44/18/01/1125441801.db2.gz WSMHNDUAXMRAIU-APWZRJJASA-N 0 3 341.451 3.707 20 10 EHCDHN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183082383 1125441805 /nfs/dbraw/zinc/44/18/05/1125441805.db2.gz WSMHNDUAXMRAIU-APWZRJJASA-N 0 3 341.451 3.707 20 10 EHCDHN CO[C@](C)(C[NH2+][C@@H](C)c1cc(F)ccc1[O-])COCc1ccccc1 ZINC000702801131 1130249645 /nfs/dbraw/zinc/24/96/45/1130249645.db2.gz DYLVHRYOTSINMA-MGPUTAFESA-N 0 3 347.430 3.804 20 10 EHCDHN CO[C@](C)(C[NH2+][C@H](C)c1ccccc1[O-])COCc1ccccc1 ZINC000702843215 1130255869 /nfs/dbraw/zinc/25/58/69/1130255869.db2.gz BYODPADBULHTJN-OXQOHEQNSA-N 0 3 329.440 3.665 20 10 EHCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCCCC1 ZINC000731847863 1130849790 /nfs/dbraw/zinc/84/97/90/1130849790.db2.gz PTCRSDAGRUWDNI-UHFFFAOYSA-N 0 3 344.499 3.976 20 10 EHCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC1CCCCCC1 ZINC000731847863 1130849798 /nfs/dbraw/zinc/84/97/98/1130849798.db2.gz PTCRSDAGRUWDNI-UHFFFAOYSA-N 0 3 344.499 3.976 20 10 EHCDHN CCCCCCN(C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000732278324 1130904946 /nfs/dbraw/zinc/90/49/46/1130904946.db2.gz IDPDHJKVGIFKBE-UHFFFAOYSA-N 0 3 345.531 3.805 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000738160746 1131463166 /nfs/dbraw/zinc/46/31/66/1131463166.db2.gz YVPYBRIWQPERPY-INIZCTEOSA-N 0 3 337.423 3.588 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000738160746 1131463168 /nfs/dbraw/zinc/46/31/68/1131463168.db2.gz YVPYBRIWQPERPY-INIZCTEOSA-N 0 3 337.423 3.588 20 10 EHCDHN CCC[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740858959 1131549203 /nfs/dbraw/zinc/54/92/03/1131549203.db2.gz MSPAYDAZIQZBCS-MISYRCLQSA-N 0 3 329.484 3.906 20 10 EHCDHN CCC[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740858959 1131549207 /nfs/dbraw/zinc/54/92/07/1131549207.db2.gz MSPAYDAZIQZBCS-MISYRCLQSA-N 0 3 329.484 3.906 20 10 EHCDHN Cc1ccoc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000742371373 1131717153 /nfs/dbraw/zinc/71/71/53/1131717153.db2.gz SYMMUBOHKHTHIB-INIZCTEOSA-N 0 3 334.847 3.701 20 10 EHCDHN CCN(C)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC001174993005 1132524240 /nfs/dbraw/zinc/52/42/40/1132524240.db2.gz DUSOMCRJGPEMNU-VXKWHMMOSA-N 0 3 335.495 3.601 20 10 EHCDHN Cc1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000767383018 1132994891 /nfs/dbraw/zinc/99/48/91/1132994891.db2.gz JZWSNJSOLBOGGE-UHFFFAOYSA-N 0 3 337.467 3.778 20 10 EHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2OC)cc1OC ZINC000768231182 1133115043 /nfs/dbraw/zinc/11/50/43/1133115043.db2.gz VMFVXEYSFGSOKH-MRXNPFEDSA-N 0 3 343.423 3.755 20 10 EHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2OC)cc1OC ZINC000768231182 1133115044 /nfs/dbraw/zinc/11/50/44/1133115044.db2.gz VMFVXEYSFGSOKH-MRXNPFEDSA-N 0 3 343.423 3.755 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768440925 1133139696 /nfs/dbraw/zinc/13/96/96/1133139696.db2.gz HUHGMJDTKWGKMS-SJLPKXTDSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768440925 1133139699 /nfs/dbraw/zinc/13/96/99/1133139699.db2.gz HUHGMJDTKWGKMS-SJLPKXTDSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)[C@H](O)CO2 ZINC000768440925 1133139702 /nfs/dbraw/zinc/13/97/02/1133139702.db2.gz HUHGMJDTKWGKMS-SJLPKXTDSA-N 0 3 345.826 3.809 20 10 EHCDHN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466562 1133145174 /nfs/dbraw/zinc/14/51/74/1133145174.db2.gz SBMDZQYCIBNNFG-JLBUNGTFSA-N 0 3 343.398 3.540 20 10 EHCDHN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768466562 1133145177 /nfs/dbraw/zinc/14/51/77/1133145177.db2.gz SBMDZQYCIBNNFG-JLBUNGTFSA-N 0 3 343.398 3.540 20 10 EHCDHN COCC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000768541319 1133153131 /nfs/dbraw/zinc/15/31/31/1133153131.db2.gz NHTMYSZTKXSIHA-ZDUSSCGKSA-N 0 3 327.852 3.693 20 10 EHCDHN COCC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000768541319 1133153134 /nfs/dbraw/zinc/15/31/34/1133153134.db2.gz NHTMYSZTKXSIHA-ZDUSSCGKSA-N 0 3 327.852 3.693 20 10 EHCDHN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000769120267 1133229493 /nfs/dbraw/zinc/22/94/93/1133229493.db2.gz JLFSFGPGBREDBK-HXUWFJFHSA-N 0 3 343.515 3.510 20 10 EHCDHN CC(C)[C@@H](O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001179244151 1133238893 /nfs/dbraw/zinc/23/88/93/1133238893.db2.gz XDJILLCMPSYDNA-LEWJYISDSA-N 0 3 325.452 3.859 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000773818148 1133268906 /nfs/dbraw/zinc/26/89/06/1133268906.db2.gz KNJDGJRGPSCJCH-OAHLLOKOSA-N 0 3 325.456 3.952 20 10 EHCDHN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447728 1133292801 /nfs/dbraw/zinc/29/28/01/1133292801.db2.gz JZCJQWOXZVJYPC-ZWNOBZJWSA-N 0 3 328.250 3.784 20 10 EHCDHN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000769447728 1133292805 /nfs/dbraw/zinc/29/28/05/1133292805.db2.gz JZCJQWOXZVJYPC-ZWNOBZJWSA-N 0 3 328.250 3.784 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000769544624 1133312326 /nfs/dbraw/zinc/31/23/26/1133312326.db2.gz ZKQPCPARKDNDHP-GOSISDBHSA-N 0 3 341.451 3.625 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000769544624 1133312330 /nfs/dbraw/zinc/31/23/30/1133312330.db2.gz ZKQPCPARKDNDHP-GOSISDBHSA-N 0 3 341.451 3.625 20 10 EHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000770332700 1133406208 /nfs/dbraw/zinc/40/62/08/1133406208.db2.gz QZJGVBVCHSAECG-HNNXBMFYSA-N 0 3 349.471 3.735 20 10 EHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000770332700 1133406215 /nfs/dbraw/zinc/40/62/15/1133406215.db2.gz QZJGVBVCHSAECG-HNNXBMFYSA-N 0 3 349.471 3.735 20 10 EHCDHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771387119 1133550695 /nfs/dbraw/zinc/55/06/95/1133550695.db2.gz IDOKTYBEGUPBQG-IAGOWNOFSA-N 0 3 325.456 3.638 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1c(F)cccc1F ZINC000774481650 1133687323 /nfs/dbraw/zinc/68/73/23/1133687323.db2.gz CMFOJKIGVWZNPH-QWHCGFSZSA-N 0 3 347.409 3.709 20 10 EHCDHN CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000774483442 1133687792 /nfs/dbraw/zinc/68/77/92/1133687792.db2.gz KUUWLLDTWZNXES-HOTGVXAUSA-N 0 3 339.483 3.993 20 10 EHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC(C)(C)OC(C)(C)C3)c2c1 ZINC000785515015 1133715937 /nfs/dbraw/zinc/71/59/37/1133715937.db2.gz IYZZYHPMISUJDY-UHFFFAOYSA-N 0 3 329.440 3.943 20 10 EHCDHN CC[N@H+](Cc1ccncc1)Cc1cc(C)c(Br)cc1[O-] ZINC001250116925 1133824012 /nfs/dbraw/zinc/82/40/12/1133824012.db2.gz ILXKNFBDGSNBDV-UHFFFAOYSA-N 0 3 335.245 3.880 20 10 EHCDHN CC[N@@H+](Cc1ccncc1)Cc1cc(C)c(Br)cc1[O-] ZINC001250116925 1133824019 /nfs/dbraw/zinc/82/40/19/1133824019.db2.gz ILXKNFBDGSNBDV-UHFFFAOYSA-N 0 3 335.245 3.880 20 10 EHCDHN Cc1ccc(C[NH2+][C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c([O-])c1 ZINC001184291784 1133925685 /nfs/dbraw/zinc/92/56/85/1133925685.db2.gz TVLASSRFEROYNX-JXFKEZNVSA-N 0 3 346.471 3.580 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000788669573 1134159624 /nfs/dbraw/zinc/15/96/24/1134159624.db2.gz DSJSPEUGSIGJNE-HIFRSBDPSA-N 0 3 336.476 3.820 20 10 EHCDHN C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1[O-] ZINC000775129683 1134352119 /nfs/dbraw/zinc/35/21/19/1134352119.db2.gz IQKQNIRCXCDKQU-ZBEGNZNMSA-N 0 3 336.229 3.539 20 10 EHCDHN COCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000792193493 1134666615 /nfs/dbraw/zinc/66/66/15/1134666615.db2.gz XJZKGJJTQFUYPN-DOMZBBRYSA-N 0 3 327.852 3.691 20 10 EHCDHN COCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000792193493 1134666618 /nfs/dbraw/zinc/66/66/18/1134666618.db2.gz XJZKGJJTQFUYPN-DOMZBBRYSA-N 0 3 327.852 3.691 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(OC(C)(C)C)n2)c1 ZINC000775376333 1134685806 /nfs/dbraw/zinc/68/58/06/1134685806.db2.gz TZKXNQBMVLQXTM-CYBMUJFWSA-N 0 3 330.428 3.824 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000775413043 1134751480 /nfs/dbraw/zinc/75/14/80/1134751480.db2.gz UYJQJXCHGJPTMR-IAGOWNOFSA-N 0 3 344.842 3.892 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[O-] ZINC000775413044 1134751653 /nfs/dbraw/zinc/75/16/53/1134751653.db2.gz UYJQJXCHGJPTMR-IRXDYDNUSA-N 0 3 344.842 3.892 20 10 EHCDHN CCC[C@@H]([NH2+]Cc1ccc(OCC)cc1[O-])[C@H](O)c1ccccc1 ZINC000793236651 1134882048 /nfs/dbraw/zinc/88/20/48/1134882048.db2.gz JNRVPMDHRUZANT-UYAOXDASSA-N 0 3 329.440 3.783 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c([O-])c1 ZINC000793387324 1134920721 /nfs/dbraw/zinc/92/07/21/1134920721.db2.gz DEGVBNGXBQVASQ-UHFFFAOYSA-N 0 3 329.293 3.849 20 10 EHCDHN CCCc1nc(C)c(CN2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000794289126 1135037274 /nfs/dbraw/zinc/03/72/74/1135037274.db2.gz RJRJNCFCPGEHAI-UHFFFAOYSA-N 0 3 343.471 3.656 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000808685677 1135711215 /nfs/dbraw/zinc/71/12/15/1135711215.db2.gz KGLNKDWGDIBBMW-CMPLNLGQSA-N 0 3 336.785 3.641 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1[O-] ZINC000808688241 1135711328 /nfs/dbraw/zinc/71/13/28/1135711328.db2.gz YEYKSFUPZFLVTL-LLVKDONJSA-N 0 3 332.822 3.734 20 10 EHCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808694223 1135711446 /nfs/dbraw/zinc/71/14/46/1135711446.db2.gz AVYOWRNDGABQEM-YVEFUNNKSA-N 0 3 335.831 3.747 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)c1[O-] ZINC000808688247 1135711524 /nfs/dbraw/zinc/71/15/24/1135711524.db2.gz YEYKSFUPZFLVTL-NSHDSACASA-N 0 3 332.822 3.734 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000808712614 1135719111 /nfs/dbraw/zinc/71/91/11/1135719111.db2.gz AHYKREAHBDCPCZ-PBHICJAKSA-N 0 3 333.859 3.998 20 10 EHCDHN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808699867 1135726031 /nfs/dbraw/zinc/72/60/31/1135726031.db2.gz QRMPKTQINBMSDF-NWDGAFQWSA-N 0 3 335.879 3.986 20 10 EHCDHN CC(C)CN(CC(C)C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835454 1135794773 /nfs/dbraw/zinc/79/47/73/1135794773.db2.gz YZMJOIFIXIKELZ-QGZVFWFLSA-N 0 3 333.520 3.544 20 10 EHCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809697372 1135868448 /nfs/dbraw/zinc/86/84/48/1135868448.db2.gz FVTHHVNFLBRKKF-IEIALMLTSA-N 0 3 335.447 3.914 20 10 EHCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809697372 1135868450 /nfs/dbraw/zinc/86/84/50/1135868450.db2.gz FVTHHVNFLBRKKF-IEIALMLTSA-N 0 3 335.447 3.914 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc(C(=O)OC)cc2)cc1F ZINC000809732330 1135873554 /nfs/dbraw/zinc/87/35/54/1135873554.db2.gz BGUQBANJEYPUCJ-UHFFFAOYSA-N 0 3 344.430 3.748 20 10 EHCDHN CCN(CC)c1ccc(CNCc2ccc(C(=O)OC)cc2)cc1 ZINC000809732321 1135873597 /nfs/dbraw/zinc/87/35/97/1135873597.db2.gz BEQMYBJUXXOYIZ-UHFFFAOYSA-N 0 3 326.440 3.609 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1[O-] ZINC000809718836 1135878240 /nfs/dbraw/zinc/87/82/40/1135878240.db2.gz QFUDMXQVBWAGSB-QFIPXVFZSA-N 0 3 337.872 3.522 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c2c1c(F)ccc2[O-] ZINC000810247127 1135947888 /nfs/dbraw/zinc/94/78/88/1135947888.db2.gz TWXLPNZSYYWGOA-VZBFBVBPSA-N 0 3 341.426 3.835 20 10 EHCDHN CN(C)c1cc(F)c(CNCCc2cc(F)ccc2F)cc1F ZINC001200863410 1135961280 /nfs/dbraw/zinc/96/12/80/1135961280.db2.gz AMHGEMYXZGVSKP-UHFFFAOYSA-N 0 3 326.337 3.641 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CCCC(F)(F)F)c1[O-] ZINC000776219177 1136071025 /nfs/dbraw/zinc/07/10/25/1136071025.db2.gz DJXCUGRFSLUEHA-UHFFFAOYSA-N 0 3 326.156 3.895 20 10 EHCDHN Cc1ncc(CNCc2ccc(N(C)C3CCCCC3)cc2)n1C ZINC000850097005 1136210329 /nfs/dbraw/zinc/21/03/29/1136210329.db2.gz ZESZJWAEJOJBOL-UHFFFAOYSA-N 0 3 326.488 3.787 20 10 EHCDHN COc1cc(C[NH2+]Cc2ccc([O-])c(F)c2)c(O)c(C(C)(C)C)c1 ZINC000850151767 1136214756 /nfs/dbraw/zinc/21/47/56/1136214756.db2.gz DDRPOSXJLGBKJT-UHFFFAOYSA-N 0 3 333.403 3.833 20 10 EHCDHN CO[C@](C)(C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])C1CC1 ZINC000812734427 1136239467 /nfs/dbraw/zinc/23/94/67/1136239467.db2.gz LXPALZWXSWGVBV-BDJLRTHQSA-N 0 3 342.277 3.929 20 10 EHCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1[O-] ZINC000850487543 1136268972 /nfs/dbraw/zinc/26/89/72/1136268972.db2.gz HZFDJOIEISBMPP-KXBFYZLASA-N 0 3 326.440 3.720 20 10 EHCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3ccncc3Cl)C2)cc1 ZINC000850489161 1136269944 /nfs/dbraw/zinc/26/99/44/1136269944.db2.gz WBYSFQKOWXSIJE-KBPBESRZSA-N 0 3 331.847 3.673 20 10 EHCDHN CCc1cccnc1[C@H](C)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489819 1136270099 /nfs/dbraw/zinc/27/00/99/1136270099.db2.gz XFUAAVITWFXLMM-DOTOQJQBSA-N 0 3 325.456 3.582 20 10 EHCDHN COCC(C)(C)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000814178492 1136411926 /nfs/dbraw/zinc/41/19/26/1136411926.db2.gz RWIWZCPFFIGEGG-UHFFFAOYSA-N 0 3 329.440 3.828 20 10 EHCDHN COCC(C)(C)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000814178492 1136411927 /nfs/dbraw/zinc/41/19/27/1136411927.db2.gz RWIWZCPFFIGEGG-UHFFFAOYSA-N 0 3 329.440 3.828 20 10 EHCDHN NC(=O)C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000815155078 1136558080 /nfs/dbraw/zinc/55/80/80/1136558080.db2.gz LRYCWQNAPVHTMQ-FQEVSTJZSA-N 0 3 346.430 3.766 20 10 EHCDHN C[C@@](O)(C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000815577956 1136613726 /nfs/dbraw/zinc/61/37/26/1136613726.db2.gz DOWLVTFMQCVXMM-TZIWHRDSSA-N 0 3 325.452 3.817 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000815627662 1136621366 /nfs/dbraw/zinc/62/13/66/1136621366.db2.gz GGOBCYNQBDPFAO-CDXJDZJCSA-N 0 3 325.452 3.826 20 10 EHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000776817317 1136707821 /nfs/dbraw/zinc/70/78/21/1136707821.db2.gz UPIQLCGVXLPBSP-AWEZNQCLSA-N 0 3 325.330 3.837 20 10 EHCDHN C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816511682 1136729241 /nfs/dbraw/zinc/72/92/41/1136729241.db2.gz HMLHDVOXZYLBKM-KRWDZBQOSA-N 0 3 347.462 3.819 20 10 EHCDHN COC1(CC[NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000816638719 1136742871 /nfs/dbraw/zinc/74/28/71/1136742871.db2.gz WCFHLYPJWSFUTA-UHFFFAOYSA-N 0 3 328.250 3.512 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)c1[O-] ZINC000817958436 1136851745 /nfs/dbraw/zinc/85/17/45/1136851745.db2.gz VXWJKKSLPXVWCM-GFCCVEGCSA-N 0 3 349.272 3.939 20 10 EHCDHN C[C@H](N[C@H]1CCCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984684 1136855346 /nfs/dbraw/zinc/85/53/46/1136855346.db2.gz XIEMKQXMGUPXQF-ONGXEEELSA-N 0 3 347.684 3.601 20 10 EHCDHN C[C@H]([NH2+][C@H]1CCCCNC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817984684 1136855347 /nfs/dbraw/zinc/85/53/47/1136855347.db2.gz XIEMKQXMGUPXQF-ONGXEEELSA-N 0 3 347.684 3.601 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3ccccc3[O-])C2)cc1 ZINC000818341585 1136872755 /nfs/dbraw/zinc/87/27/55/1136872755.db2.gz BHZCIJJHLFCYJF-HZPDHXFCSA-N 0 3 326.440 3.578 20 10 EHCDHN COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCc4cccc([O-])c43)C2)cc1 ZINC000818342446 1136873371 /nfs/dbraw/zinc/87/33/71/1136873371.db2.gz RAFPVACVCXQFAJ-BEFAXECRSA-N 0 3 338.451 3.504 20 10 EHCDHN Cc1cc(CNCc2cnccc2N(C)C)c(C)n1-c1ccccc1 ZINC000858294202 1136956036 /nfs/dbraw/zinc/95/60/36/1136956036.db2.gz VJLBRVBYJIOFOJ-UHFFFAOYSA-N 0 3 334.467 3.845 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Br)cc1[O-] ZINC000858490632 1136972867 /nfs/dbraw/zinc/97/28/67/1136972867.db2.gz KYTLAIRDMZHSPK-STQMWFEESA-N 0 3 341.293 3.537 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000858547350 1136977773 /nfs/dbraw/zinc/97/77/73/1136977773.db2.gz KJCUWEOPTACMSX-VZJVUDMVSA-N 0 3 340.261 3.681 20 10 EHCDHN COc1ccc(N2CCN([C@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001170986580 1137059852 /nfs/dbraw/zinc/05/98/52/1137059852.db2.gz UYPWZLCQLBZZEQ-SFHVURJKSA-N 0 3 340.442 3.514 20 10 EHCDHN COC[C@H](C[NH2+]Cc1c([O-])cccc1OC)c1ccc(Cl)cc1 ZINC000824758320 1137152522 /nfs/dbraw/zinc/15/25/22/1137152522.db2.gz SWJHYVTXUHZQJW-AWEZNQCLSA-N 0 3 335.831 3.574 20 10 EHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccccc1[O-] ZINC000825117460 1137166402 /nfs/dbraw/zinc/16/64/02/1137166402.db2.gz DQYHRQFHRIQESE-NBMJBFSESA-N 0 3 343.471 3.827 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1[O-] ZINC000825215786 1137169242 /nfs/dbraw/zinc/16/92/42/1137169242.db2.gz WCIDYQAWYLPITA-INIZCTEOSA-N 0 3 327.877 3.773 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1[O-] ZINC000825215786 1137169243 /nfs/dbraw/zinc/16/92/43/1137169243.db2.gz WCIDYQAWYLPITA-INIZCTEOSA-N 0 3 327.877 3.773 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825336973 1137173278 /nfs/dbraw/zinc/17/32/78/1137173278.db2.gz BLVHXYLUSKBHHV-QGZVFWFLSA-N 0 3 341.451 3.566 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825336973 1137173279 /nfs/dbraw/zinc/17/32/79/1137173279.db2.gz BLVHXYLUSKBHHV-QGZVFWFLSA-N 0 3 341.451 3.566 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825336972 1137173468 /nfs/dbraw/zinc/17/34/68/1137173468.db2.gz BLVHXYLUSKBHHV-KRWDZBQOSA-N 0 3 341.451 3.566 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825336972 1137173469 /nfs/dbraw/zinc/17/34/69/1137173469.db2.gz BLVHXYLUSKBHHV-KRWDZBQOSA-N 0 3 341.451 3.566 20 10 EHCDHN CN(Cc1ccnc(NC(=O)OC(C)(C)C)c1)Cc1ccccc1O ZINC001143697812 1137190407 /nfs/dbraw/zinc/19/04/07/1137190407.db2.gz ZHACZYPUBLMODH-UHFFFAOYSA-N 0 3 343.427 3.766 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cccc(NC(=O)COC)c1)c1ccc(C)cc1[O-] ZINC000794791915 1137252400 /nfs/dbraw/zinc/25/24/00/1137252400.db2.gz KAYWEVVDUHTQNH-GOSISDBHSA-N 0 3 342.439 3.526 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1ccc(C)cc1[O-] ZINC000794812081 1137264147 /nfs/dbraw/zinc/26/41/47/1137264147.db2.gz ZWCGJKVOHMYGMN-DOTOQJQBSA-N 0 3 327.424 3.754 20 10 EHCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794816922 1137265506 /nfs/dbraw/zinc/26/55/06/1137265506.db2.gz RUZVGSYYMJBKSA-CRAIPNDOSA-N 0 3 348.487 3.998 20 10 EHCDHN COc1ccc(O)c([C@H](C)NCc2ccnn2-c2ccccc2C)c1 ZINC000845970663 1137322408 /nfs/dbraw/zinc/32/24/08/1137322408.db2.gz BJFATYALWIXUES-HNNXBMFYSA-N 0 3 337.423 3.746 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846180935 1137339788 /nfs/dbraw/zinc/33/97/88/1137339788.db2.gz OOPANKCGVAUHMB-HRAATJIYSA-N 0 3 325.452 3.536 20 10 EHCDHN C[C@H](O)[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1F ZINC000846181679 1137340205 /nfs/dbraw/zinc/34/02/05/1137340205.db2.gz DCKJPKWBOCPQBC-CWPXVGEBSA-N 0 3 333.378 3.930 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846213043 1137343705 /nfs/dbraw/zinc/34/37/05/1137343705.db2.gz BNVDYNPISYIGBB-MLGOLLRUSA-N 0 3 346.858 3.781 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccccc1[O-] ZINC000866473590 1137357860 /nfs/dbraw/zinc/35/78/60/1137357860.db2.gz DUCOTQUYDFYJAJ-KRWDZBQOSA-N 0 3 343.496 3.581 20 10 EHCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(C)(C)OC)c1[O-] ZINC000866504686 1137359495 /nfs/dbraw/zinc/35/94/95/1137359495.db2.gz BEYGMXWTANAZIN-JTQLQIEISA-N 0 3 346.265 3.629 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000715094658 1137475494 /nfs/dbraw/zinc/47/54/94/1137475494.db2.gz XBQJETROKCQUDN-KKUMJFAQSA-N 0 3 334.460 3.655 20 10 EHCDHN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876728024 1137659719 /nfs/dbraw/zinc/65/97/19/1137659719.db2.gz WBUVMSGUANOONW-FQEVSTJZSA-N 0 3 344.499 3.704 20 10 EHCDHN COCCc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000876721574 1137659738 /nfs/dbraw/zinc/65/97/38/1137659738.db2.gz JONUSWRCJWRILL-UHFFFAOYSA-N 0 3 346.496 3.982 20 10 EHCDHN COCCc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)s1 ZINC000876721574 1137659739 /nfs/dbraw/zinc/65/97/39/1137659739.db2.gz JONUSWRCJWRILL-UHFFFAOYSA-N 0 3 346.496 3.982 20 10 EHCDHN Cc1ccc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)c([O-])c1 ZINC000877008216 1137667576 /nfs/dbraw/zinc/66/75/76/1137667576.db2.gz NEJYLWXUMMDHHL-UHFFFAOYSA-N 0 3 341.451 3.686 20 10 EHCDHN Cc1cc([O-])c(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1Cl ZINC000825933975 1137670431 /nfs/dbraw/zinc/67/04/31/1137670431.db2.gz CZXPXRLLNRZSGD-QGZVFWFLSA-N 0 3 336.838 3.886 20 10 EHCDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000126465014 1137674269 /nfs/dbraw/zinc/67/42/69/1137674269.db2.gz GOPHZPHWRZYPME-MRXNPFEDSA-N 0 3 325.456 3.931 20 10 EHCDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000126464731 1137674314 /nfs/dbraw/zinc/67/43/14/1137674314.db2.gz GOPHZPHWRZYPME-INIZCTEOSA-N 0 3 325.456 3.931 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1[O-] ZINC000879648322 1137753499 /nfs/dbraw/zinc/75/34/99/1137753499.db2.gz JXWNLORZLFLMMH-CYBMUJFWSA-N 0 3 335.403 3.838 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000879651293 1137753753 /nfs/dbraw/zinc/75/37/53/1137753753.db2.gz QIDUCRNNRYKNLA-SQWLQELKSA-N 0 3 344.480 3.857 20 10 EHCDHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651682 1137753817 /nfs/dbraw/zinc/75/38/17/1137753817.db2.gz HEBMMSVLQLYBGH-HRCADAONSA-N 0 3 326.440 3.617 20 10 EHCDHN C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000879652797 1137754044 /nfs/dbraw/zinc/75/40/44/1137754044.db2.gz INHWCJCBRZWWJN-STQMWFEESA-N 0 3 332.831 3.574 20 10 EHCDHN COc1ccc(N2CCN(Cc3cccc4cccnc43)CC2)c(C)c1 ZINC001137179397 1137830143 /nfs/dbraw/zinc/83/01/43/1137830143.db2.gz PRIFPQWEIQHGNF-UHFFFAOYSA-N 0 3 347.462 3.874 20 10 EHCDHN C[C@H](NCc1cccc(Cl)c1N)c1ccc(N2CCOCC2)cc1 ZINC000882923906 1137838759 /nfs/dbraw/zinc/83/87/59/1137838759.db2.gz QCRYKJUSMLWWLB-AWEZNQCLSA-N 0 3 345.874 3.610 20 10 EHCDHN C[C@@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000886711277 1138122444 /nfs/dbraw/zinc/12/24/44/1138122444.db2.gz RICQCICSPXHKRB-GDBMZVCRSA-N 0 3 337.435 3.548 20 10 EHCDHN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)Cc1ccccn1 ZINC000264284142 1138464073 /nfs/dbraw/zinc/46/40/73/1138464073.db2.gz PMDLWRHCBNLKBZ-UHFFFAOYSA-N 0 3 339.483 3.719 20 10 EHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000151038250 1139002771 /nfs/dbraw/zinc/00/27/71/1139002771.db2.gz AYFXDVHBASVGHL-QGZVFWFLSA-N 0 3 338.499 3.989 20 10 EHCDHN CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccccc1[O-])O[C@H](C)C2 ZINC000179903049 1139791903 /nfs/dbraw/zinc/79/19/03/1139791903.db2.gz QKBDNNWOJVLERW-ZIAGYGMSSA-N 0 3 327.424 3.965 20 10 EHCDHN C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc(F)ccc1[O-] ZINC000185090805 1140135874 /nfs/dbraw/zinc/13/58/74/1140135874.db2.gz MUNXAEXVTJPREQ-AWEZNQCLSA-N 0 3 342.414 3.505 20 10 EHCDHN CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185177080 1140138931 /nfs/dbraw/zinc/13/89/31/1140138931.db2.gz LFWXOFVWCCUNDH-CQSZACIVSA-N 0 3 344.430 3.912 20 10 EHCDHN C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cc(F)ccc1[O-] ZINC000185604761 1140158073 /nfs/dbraw/zinc/15/80/73/1140158073.db2.gz CKOWBDFVCAMBOS-QMMMGPOBSA-N 0 3 334.338 3.900 20 10 EHCDHN C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185646858 1140160594 /nfs/dbraw/zinc/16/05/94/1140160594.db2.gz XXAGIAYNUMRLFR-GFCCVEGCSA-N 0 3 348.384 3.846 20 10 EHCDHN CC[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000188506859 1140299553 /nfs/dbraw/zinc/29/95/53/1140299553.db2.gz JFRDDRTZMXKFPJ-HNNXBMFYSA-N 0 3 330.394 3.707 20 10 EHCDHN C[C@H](NCC1(C)OCCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000190657213 1140413881 /nfs/dbraw/zinc/41/38/81/1140413881.db2.gz PHFPWDTYCJAIFE-KRWDZBQOSA-N 0 3 332.488 3.871 20 10 EHCDHN C[C@@H](OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618400 1141128763 /nfs/dbraw/zinc/12/87/63/1141128763.db2.gz HIMVCSPJNHIHHR-RDTXWAMCSA-N 0 3 349.858 3.616 20 10 EHCDHN C[C@@H](OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000269618400 1141128767 /nfs/dbraw/zinc/12/87/67/1141128767.db2.gz HIMVCSPJNHIHHR-RDTXWAMCSA-N 0 3 349.858 3.616 20 10 EHCDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1ccccc1[O-] ZINC000154914802 1015936376 /nfs/dbraw/zinc/93/63/76/1015936376.db2.gz MOYMJYIZYBOGCY-OAHLLOKOSA-N 0 3 331.412 3.659 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000183113448 1032134192 /nfs/dbraw/zinc/13/41/92/1032134192.db2.gz RZCZXOVMNVNULR-NRFANRHFSA-N 0 3 339.435 3.584 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000183113448 1032134202 /nfs/dbraw/zinc/13/42/02/1032134202.db2.gz RZCZXOVMNVNULR-NRFANRHFSA-N 0 3 339.435 3.584 20 10 EHCDHN C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccc(N(C)C)cc1 ZINC000155273010 1016394252 /nfs/dbraw/zinc/39/42/52/1016394252.db2.gz UDNXYBXCTSLUCN-MRXNPFEDSA-N 0 3 337.467 3.730 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000163616639 1016555521 /nfs/dbraw/zinc/55/55/21/1016555521.db2.gz UOBZSKRPFQFEKD-CVEARBPZSA-N 0 3 331.504 3.631 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C ZINC000163616770 1016557428 /nfs/dbraw/zinc/55/74/28/1016557428.db2.gz UOBZSKRPFQFEKD-JKSUJKDBSA-N 0 3 331.504 3.631 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c([O-])c1 ZINC000275538104 1017004500 /nfs/dbraw/zinc/00/45/00/1017004500.db2.gz MMCXOPPOMPQXSH-AZUAARDMSA-N 0 3 342.439 3.586 20 10 EHCDHN Cc1nn(C(C)C)c(C)c1CNCc1ccc2c(c1)CCCN2C ZINC000892733115 1017251882 /nfs/dbraw/zinc/25/18/82/1017251882.db2.gz MRYFSCZTVAADSR-UHFFFAOYSA-N 0 3 326.488 3.753 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2C(F)(F)F)c1 ZINC000528436976 1032296278 /nfs/dbraw/zinc/29/62/78/1032296278.db2.gz KQZBNFBWLVWRSY-SNVBAGLBSA-N 0 3 326.318 3.665 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1ccccc1[O-] ZINC000122329998 1017361779 /nfs/dbraw/zinc/36/17/79/1017361779.db2.gz ZYOPMOFGIVONJV-LLVKDONJSA-N 0 3 348.240 3.940 20 10 EHCDHN COc1ccc(N2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)cc1 ZINC001279729820 1017397001 /nfs/dbraw/zinc/39/70/01/1017397001.db2.gz YYZKEOUKUHMXQH-GASCZTMLSA-N 0 3 328.378 3.691 20 10 EHCDHN CC[C@H](NCc1ccc(OC)c(OC)c1O)c1cc(F)ccc1F ZINC000893019355 1018176131 /nfs/dbraw/zinc/17/61/31/1018176131.db2.gz RBIRCYPGJDWQLA-HNNXBMFYSA-N 0 3 337.366 3.929 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000382466265 1032775245 /nfs/dbraw/zinc/77/52/45/1032775245.db2.gz MFOSCUTZOQISFP-RRFJBIMHSA-N 0 3 334.460 3.879 20 10 EHCDHN COc1ccc(CN(C)[C@H]2CCCc3nc(C)sc32)c(O)c1OC ZINC000892035396 1024428585 /nfs/dbraw/zinc/42/85/85/1024428585.db2.gz IBPLTNCJIHJBRH-AWEZNQCLSA-N 0 3 348.468 3.684 20 10 EHCDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1[O-] ZINC000281136957 1024688516 /nfs/dbraw/zinc/68/85/16/1024688516.db2.gz DLJDCOVWSBUZKH-UHFFFAOYSA-N 0 3 337.876 3.569 20 10 EHCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H]1CCCOC1 ZINC000895661644 1024700795 /nfs/dbraw/zinc/70/07/95/1024700795.db2.gz CRSRPOFVTDNZCK-WFASDCNBSA-N 0 3 342.277 3.758 20 10 EHCDHN Cc1cc(Br)cc(CNCc2cnc(Cl)s2)c1O ZINC000895153037 1025196442 /nfs/dbraw/zinc/19/64/42/1025196442.db2.gz KSJAONZGTIJPAE-UHFFFAOYSA-N 0 3 347.665 3.863 20 10 EHCDHN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000273437291 1027425047 /nfs/dbraw/zinc/42/50/47/1027425047.db2.gz MFXWBSKPSJTHEW-QLFBSQMISA-N 0 3 347.459 3.604 20 10 EHCDHN CC(C)c1nc([C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000273494826 1027457156 /nfs/dbraw/zinc/45/71/56/1027457156.db2.gz OZCFWYVZSIMGLT-STQMWFEESA-N 0 3 328.460 3.924 20 10 EHCDHN COc1cc(C)cc(CN[C@@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898183870 1033383114 /nfs/dbraw/zinc/38/31/14/1033383114.db2.gz OVJGIZWVKJOZNT-AWEZNQCLSA-N 0 3 329.444 3.557 20 10 EHCDHN C[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1[O-] ZINC000310077787 1034225501 /nfs/dbraw/zinc/22/55/01/1034225501.db2.gz QBTFSNOLMDFXJS-AWEZNQCLSA-N 0 3 334.460 3.832 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+](C)CCOc2ccc(F)cc2)c1[O-] ZINC000761185135 1034329506 /nfs/dbraw/zinc/32/95/06/1034329506.db2.gz YTKLJYSUKKCSRO-UHFFFAOYSA-N 0 3 339.794 3.704 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+](C)CCOc2ccc(F)cc2)c1[O-] ZINC000761185135 1034329514 /nfs/dbraw/zinc/32/95/14/1034329514.db2.gz YTKLJYSUKKCSRO-UHFFFAOYSA-N 0 3 339.794 3.704 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000310049915 1037673115 /nfs/dbraw/zinc/67/31/15/1037673115.db2.gz KVJZBAPSPDVGJO-LSDHHAIUSA-N 0 3 334.460 3.832 20 10 EHCDHN CC[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O ZINC000157596911 1037764401 /nfs/dbraw/zinc/76/44/01/1037764401.db2.gz WZLVMXQDHISUET-LJQANCHMSA-N 0 3 325.456 3.707 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180272903 1038111382 /nfs/dbraw/zinc/11/13/82/1038111382.db2.gz VNBPUUSLWKSERT-AEFFLSMTSA-N 0 3 333.403 3.993 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180272903 1038111390 /nfs/dbraw/zinc/11/13/90/1038111390.db2.gz VNBPUUSLWKSERT-AEFFLSMTSA-N 0 3 333.403 3.993 20 10 EHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000182650755 1038622856 /nfs/dbraw/zinc/62/28/56/1038622856.db2.gz AVGDPZWOSDQSNX-IBGZPJMESA-N 0 3 339.435 3.646 20 10 EHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC000182650755 1038622861 /nfs/dbraw/zinc/62/28/61/1038622861.db2.gz AVGDPZWOSDQSNX-IBGZPJMESA-N 0 3 339.435 3.646 20 10 EHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCSC1 ZINC000182986446 1038658044 /nfs/dbraw/zinc/65/80/44/1038658044.db2.gz WMUFLQJKKUIZEB-QGZVFWFLSA-N 0 3 329.465 3.909 20 10 EHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H]1CCSC1 ZINC000182986446 1038658047 /nfs/dbraw/zinc/65/80/47/1038658047.db2.gz WMUFLQJKKUIZEB-QGZVFWFLSA-N 0 3 329.465 3.909 20 10 EHCDHN CC[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1[O-] ZINC000186167080 1039305747 /nfs/dbraw/zinc/30/57/47/1039305747.db2.gz YBWKZKBBYOIKRR-RDJZCZTQSA-N 0 3 339.357 3.883 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C)cc1[O-] ZINC000279942918 1039595655 /nfs/dbraw/zinc/59/56/55/1039595655.db2.gz BHYHQPHEOXJYIV-HXUWFJFHSA-N 0 3 340.467 3.778 20 10 EHCDHN C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccccc1[O-] ZINC000183534755 1125592505 /nfs/dbraw/zinc/59/25/05/1125592505.db2.gz OXNFEKGEOFDISE-AWEZNQCLSA-N 0 3 325.387 3.610 20 10 EHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000185394712 1126885917 /nfs/dbraw/zinc/88/59/17/1126885917.db2.gz KIMCZNCSADUWGC-CVEARBPZSA-N 0 3 348.487 3.998 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1cc(F)ccc1[O-] ZINC000185459085 1126904357 /nfs/dbraw/zinc/90/43/57/1126904357.db2.gz KEOHSRZJDICJCH-BZNIZROVSA-N 0 3 338.373 3.763 20 10 EHCDHN CCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000765050226 1127567088 /nfs/dbraw/zinc/56/70/88/1127567088.db2.gz WOGLYLIYJMCXLY-HNNXBMFYSA-N 0 3 325.456 3.952 20 10 EHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC000765779609 1128359179 /nfs/dbraw/zinc/35/91/79/1128359179.db2.gz LJRXUJGGCPGFLX-JKSUJKDBSA-N 0 3 326.440 3.641 20 10 EHCDHN CN(C)Cc1cc(CNCc2ccc3c(c2)CCCO3)ccc1F ZINC000921745863 1128723532 /nfs/dbraw/zinc/72/35/32/1128723532.db2.gz QMGGIZAXGIXUHJ-UHFFFAOYSA-N 0 3 328.431 3.502 20 10 EHCDHN COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3cc(F)ccc3[O-])c21 ZINC000186507317 1129051928 /nfs/dbraw/zinc/05/19/28/1129051928.db2.gz KVDPOOOSEUMUAH-LBPRGKRZSA-N 0 3 328.387 3.915 20 10 EHCDHN CC[N@H+](CCOC)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000921046124 1123458822 /nfs/dbraw/zinc/45/88/22/1123458822.db2.gz IWFFPPZVUNPIFX-UHFFFAOYSA-N 0 3 338.245 3.776 20 10 EHCDHN CC[N@@H+](CCOC)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000921046124 1123458825 /nfs/dbraw/zinc/45/88/25/1123458825.db2.gz IWFFPPZVUNPIFX-UHFFFAOYSA-N 0 3 338.245 3.776 20 10 EHCDHN OCC[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(Cl)cc1 ZINC000922128329 1129134184 /nfs/dbraw/zinc/13/41/84/1129134184.db2.gz ZUHNBMTWYRWYMW-SFHVURJKSA-N 0 3 331.843 3.878 20 10 EHCDHN O=C(CCCC[NH2+]Cc1cc(F)ccc1[O-])OCc1ccccc1 ZINC000182570587 1125334875 /nfs/dbraw/zinc/33/48/75/1125334875.db2.gz DJOWXHIGVRCTNU-UHFFFAOYSA-N 0 3 331.387 3.535 20 10 EHCDHN CCOC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000182998176 1125416619 /nfs/dbraw/zinc/41/66/19/1125416619.db2.gz UMKAAUUJDDXSCR-UHFFFAOYSA-N 0 3 341.451 3.972 20 10 EHCDHN CCC(O)(CC)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183143443 1125451618 /nfs/dbraw/zinc/45/16/18/1125451618.db2.gz MBGLHZOSYIGVKF-UHFFFAOYSA-N 0 3 329.440 3.612 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC1CCCCC1 ZINC000743870218 1131994886 /nfs/dbraw/zinc/99/48/86/1131994886.db2.gz LXPGWLNHTQBCPT-MRXNPFEDSA-N 0 3 332.488 3.689 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC1CCCCC1 ZINC000743870218 1131994892 /nfs/dbraw/zinc/99/48/92/1131994892.db2.gz LXPGWLNHTQBCPT-MRXNPFEDSA-N 0 3 332.488 3.689 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000743870441 1131995257 /nfs/dbraw/zinc/99/52/57/1131995257.db2.gz RJUKBTYIAXUAGT-SFNKJDCFSA-N 0 3 346.515 3.934 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000743870441 1131995259 /nfs/dbraw/zinc/99/52/59/1131995259.db2.gz RJUKBTYIAXUAGT-SFNKJDCFSA-N 0 3 346.515 3.934 20 10 EHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000743870204 1131996640 /nfs/dbraw/zinc/99/66/40/1131996640.db2.gz LBBBRCHHLZHIIJ-CYBMUJFWSA-N 0 3 348.393 3.910 20 10 EHCDHN C[C@H]1c2sccc2CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001175831620 1132771212 /nfs/dbraw/zinc/77/12/12/1132771212.db2.gz QSRIRDZQBBUZRG-HNNXBMFYSA-N 0 3 328.481 3.704 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cccc3nccn32)cc1F ZINC001177795773 1133103217 /nfs/dbraw/zinc/10/32/17/1133103217.db2.gz YCJCVKLOQCVLIX-UHFFFAOYSA-N 0 3 326.419 3.609 20 10 EHCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437576 1133137975 /nfs/dbraw/zinc/13/79/75/1133137975.db2.gz ADKSCGGXVBLPQK-IBGZPJMESA-N 0 3 341.451 3.748 20 10 EHCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437576 1133137981 /nfs/dbraw/zinc/13/79/81/1133137981.db2.gz ADKSCGGXVBLPQK-IBGZPJMESA-N 0 3 341.451 3.748 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1Cl)[C@@H](O)CO2 ZINC000768440890 1133138956 /nfs/dbraw/zinc/13/89/56/1133138956.db2.gz AMYCNTGKGTUIGD-WMZOPIPTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccc1Cl)[C@@H](O)CO2 ZINC000768440890 1133138961 /nfs/dbraw/zinc/13/89/61/1133138961.db2.gz AMYCNTGKGTUIGD-WMZOPIPTSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1Cl)[C@@H](O)CO2 ZINC000768440890 1133138964 /nfs/dbraw/zinc/13/89/64/1133138964.db2.gz AMYCNTGKGTUIGD-WMZOPIPTSA-N 0 3 345.826 3.809 20 10 EHCDHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1Cl)[C@H](O)CO2 ZINC000768440887 1133139319 /nfs/dbraw/zinc/13/93/19/1133139319.db2.gz AMYCNTGKGTUIGD-SJLPKXTDSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)[C@H](O)CO2 ZINC000768440887 1133139320 /nfs/dbraw/zinc/13/93/20/1133139320.db2.gz AMYCNTGKGTUIGD-SJLPKXTDSA-N 0 3 345.826 3.809 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl)[C@H](O)CO2 ZINC000768440887 1133139322 /nfs/dbraw/zinc/13/93/22/1133139322.db2.gz AMYCNTGKGTUIGD-SJLPKXTDSA-N 0 3 345.826 3.809 20 10 EHCDHN CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447936 1133140471 /nfs/dbraw/zinc/14/04/71/1133140471.db2.gz RSHOCHWQVMVTPO-ICSRJNTNSA-N 0 3 327.424 3.647 20 10 EHCDHN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447936 1133140475 /nfs/dbraw/zinc/14/04/75/1133140475.db2.gz RSHOCHWQVMVTPO-ICSRJNTNSA-N 0 3 327.424 3.647 20 10 EHCDHN CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463479 1133144248 /nfs/dbraw/zinc/14/42/48/1133144248.db2.gz UQBIPOIAGRJARU-FPOVZHCZSA-N 0 3 339.435 3.573 20 10 EHCDHN CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463479 1133144250 /nfs/dbraw/zinc/14/42/50/1133144250.db2.gz UQBIPOIAGRJARU-FPOVZHCZSA-N 0 3 339.435 3.573 20 10 EHCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CCC1CCCC1)[C@@H](O)CO2 ZINC000768462530 1133144331 /nfs/dbraw/zinc/14/43/31/1133144331.db2.gz MQIZCCSEFKKNSK-APWZRJJASA-N 0 3 331.456 3.753 20 10 EHCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CCC1CCCC1)[C@@H](O)CO2 ZINC000768462530 1133144333 /nfs/dbraw/zinc/14/43/33/1133144333.db2.gz MQIZCCSEFKKNSK-APWZRJJASA-N 0 3 331.456 3.753 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1[O-] ZINC000768524206 1133149452 /nfs/dbraw/zinc/14/94/52/1133149452.db2.gz METAHEFARHTPMU-GJZGRUSLSA-N 0 3 327.852 3.736 20 10 EHCDHN COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769190364 1133233456 /nfs/dbraw/zinc/23/34/56/1133233456.db2.gz TYTOYEBABRCXDD-INIZCTEOSA-N 0 3 327.424 3.617 20 10 EHCDHN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769190364 1133233462 /nfs/dbraw/zinc/23/34/62/1133233462.db2.gz TYTOYEBABRCXDD-INIZCTEOSA-N 0 3 327.424 3.617 20 10 EHCDHN CC(C)[C@@H](O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001179244152 1133238772 /nfs/dbraw/zinc/23/87/72/1133238772.db2.gz XDJILLCMPSYDNA-NHCUHLMSSA-N 0 3 325.452 3.859 20 10 EHCDHN Cc1cc(CCNCc2nccn2C2CC2)c(C)n1-c1ccccc1 ZINC001179295475 1133240577 /nfs/dbraw/zinc/24/05/77/1133240577.db2.gz MGOGEDQHKSPGMD-UHFFFAOYSA-N 0 3 334.467 3.958 20 10 EHCDHN COc1cccc([O-])c1C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000769384520 1133274185 /nfs/dbraw/zinc/27/41/85/1133274185.db2.gz PMLSEEIVIBJBSB-UHFFFAOYSA-N 0 3 333.472 3.961 20 10 EHCDHN COc1ccc(C[C@H]2CCC[N@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769394115 1133285590 /nfs/dbraw/zinc/28/55/90/1133285590.db2.gz ISNYCVXTLJFIGX-QGZVFWFLSA-N 0 3 341.451 3.864 20 10 EHCDHN COc1ccc(C[C@H]2CCC[N@@H+](Cc3c([O-])cccc3OC)C2)cc1 ZINC000769394115 1133285593 /nfs/dbraw/zinc/28/55/93/1133285593.db2.gz ISNYCVXTLJFIGX-QGZVFWFLSA-N 0 3 341.451 3.864 20 10 EHCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769469957 1133297168 /nfs/dbraw/zinc/29/71/68/1133297168.db2.gz ILBGLEYKOYDTLH-IPELMVKDSA-N 0 3 333.472 3.816 20 10 EHCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769469957 1133297173 /nfs/dbraw/zinc/29/71/73/1133297173.db2.gz ILBGLEYKOYDTLH-IPELMVKDSA-N 0 3 333.472 3.816 20 10 EHCDHN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc3c(cc2O)OCO3)o1 ZINC000769549994 1133313194 /nfs/dbraw/zinc/31/31/94/1133313194.db2.gz QKZKJEVTUVSPIR-DOMZBBRYSA-N 0 3 329.396 3.996 20 10 EHCDHN O[C@]1(C(F)(F)F)CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324480 1133584714 /nfs/dbraw/zinc/58/47/14/1133584714.db2.gz LOMFMSBCOLAKCT-QGZVFWFLSA-N 0 3 342.405 3.566 20 10 EHCDHN CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c([O-])c1 ZINC000771875537 1133604353 /nfs/dbraw/zinc/60/43/53/1133604353.db2.gz WACWGVUJCCZOBB-XLIONFOSSA-N 0 3 327.424 3.658 20 10 EHCDHN Cc1cncc(/C=C\C(=O)N(CCN2CCCC2)c2ccccc2)c1 ZINC000772149484 1133651624 /nfs/dbraw/zinc/65/16/24/1133651624.db2.gz BEPYTVLQYAKSBE-KTKRTIGZSA-N 0 3 335.451 3.532 20 10 EHCDHN C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000785567663 1133727900 /nfs/dbraw/zinc/72/79/00/1133727900.db2.gz HACLPGCUKNUSAV-OXJNMPFZSA-N 0 3 343.515 3.727 20 10 EHCDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000785793041 1133753254 /nfs/dbraw/zinc/75/32/54/1133753254.db2.gz IFVXHXCRYGTZMP-IBGZPJMESA-N 0 3 340.467 3.783 20 10 EHCDHN Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000786583286 1133871179 /nfs/dbraw/zinc/87/11/79/1133871179.db2.gz QLLUQMBRTHSSKA-UNEWFSDZSA-N 0 3 329.415 3.581 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CCCO1 ZINC000787731908 1134036251 /nfs/dbraw/zinc/03/62/51/1134036251.db2.gz UDSARSQPFJTDPT-HOCLYGCPSA-N 0 3 325.399 3.809 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CCCO1 ZINC000787731908 1134036258 /nfs/dbraw/zinc/03/62/58/1134036258.db2.gz UDSARSQPFJTDPT-HOCLYGCPSA-N 0 3 325.399 3.809 20 10 EHCDHN COc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC001203628014 1134142762 /nfs/dbraw/zinc/14/27/62/1134142762.db2.gz VUBZIOVUEJDJOE-UHFFFAOYSA-N 0 3 329.415 3.995 20 10 EHCDHN CC(C)(C)OCCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000789349622 1134253897 /nfs/dbraw/zinc/25/38/97/1134253897.db2.gz ZCODYDXMRCGVHJ-GOSISDBHSA-N 0 3 335.488 3.969 20 10 EHCDHN CC(C)(C)OCCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000789349622 1134253900 /nfs/dbraw/zinc/25/39/00/1134253900.db2.gz ZCODYDXMRCGVHJ-GOSISDBHSA-N 0 3 335.488 3.969 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c1[O-] ZINC000789777703 1134334049 /nfs/dbraw/zinc/33/40/49/1134334049.db2.gz AWHXESKUPVXRNU-PKOBYXMFSA-N 0 3 349.858 3.902 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(Cl)nc(Cl)c2)c1 ZINC000775376293 1134686388 /nfs/dbraw/zinc/68/63/88/1134686388.db2.gz SFFITBYYANMHBX-SECBINFHSA-N 0 3 327.211 3.953 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1[O-] ZINC000775415808 1134757873 /nfs/dbraw/zinc/75/78/73/1134757873.db2.gz QVYVAWDXRAXWKA-IBGZPJMESA-N 0 3 338.451 3.869 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1[O-] ZINC000775415809 1134758277 /nfs/dbraw/zinc/75/82/77/1134758277.db2.gz QVYVAWDXRAXWKA-LJQANCHMSA-N 0 3 338.451 3.869 20 10 EHCDHN COc1ccc(C[NH2+]Cc2ccc(Br)c(C)c2)c([O-])c1 ZINC000793387218 1134921412 /nfs/dbraw/zinc/92/14/12/1134921412.db2.gz ARTJTMGEAYYFKY-UHFFFAOYSA-N 0 3 336.229 3.762 20 10 EHCDHN CC[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccccc1[O-] ZINC000775492836 1134946875 /nfs/dbraw/zinc/94/68/75/1134946875.db2.gz UAEZDMRWIGXBQG-QGZVFWFLSA-N 0 3 334.529 3.795 20 10 EHCDHN C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000806172532 1135398104 /nfs/dbraw/zinc/39/81/04/1135398104.db2.gz NSLORTDUAYKCSX-MGPUTAFESA-N 0 3 329.463 3.845 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)CCOCc2ccccc2)c([O-])c1 ZINC000808433149 1135675146 /nfs/dbraw/zinc/67/51/46/1135675146.db2.gz CSMODQZOCKLCJN-MRXNPFEDSA-N 0 3 329.440 3.876 20 10 EHCDHN CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808680912 1135709925 /nfs/dbraw/zinc/70/99/25/1135709925.db2.gz PXXPNPDIHJWSJU-LBPRGKRZSA-N 0 3 332.831 3.564 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c1[O-] ZINC000808681041 1135710846 /nfs/dbraw/zinc/71/08/46/1135710846.db2.gz UVUMGWJEZRDGFS-GOEBONIOSA-N 0 3 333.859 3.856 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000808690141 1135711251 /nfs/dbraw/zinc/71/12/51/1135711251.db2.gz AIKXFWRKWJMNKD-LBPRGKRZSA-N 0 3 342.867 3.919 20 10 EHCDHN C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)ccc1[O-] ZINC000808728289 1135723679 /nfs/dbraw/zinc/72/36/79/1135723679.db2.gz NLNGVPDOSMZPOB-NSHDSACASA-N 0 3 343.358 3.814 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000775834861 1135795541 /nfs/dbraw/zinc/79/55/41/1135795541.db2.gz RFJAVCVUBMGKRI-CVEARBPZSA-N 0 3 331.504 3.583 20 10 EHCDHN CN(C)c1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1F ZINC000809655932 1135866743 /nfs/dbraw/zinc/86/67/43/1135866743.db2.gz SNWHYOKTPFZXRQ-IBGZPJMESA-N 0 3 330.447 3.741 20 10 EHCDHN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768280 1135880514 /nfs/dbraw/zinc/88/05/14/1135880514.db2.gz GTDKQZHXEQYZIM-ZWNOBZJWSA-N 0 3 328.250 3.926 20 10 EHCDHN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000809768280 1135880516 /nfs/dbraw/zinc/88/05/16/1135880516.db2.gz GTDKQZHXEQYZIM-ZWNOBZJWSA-N 0 3 328.250 3.926 20 10 EHCDHN CC[C@@H](c1ccccc1OC)N(C)Cc1cc2c(cc1O)OCO2 ZINC000809780804 1135891053 /nfs/dbraw/zinc/89/10/53/1135891053.db2.gz KCCIVCFFBIHQSO-HNNXBMFYSA-N 0 3 329.396 3.713 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@]2(CC)OCCc3ccccc32)c([O-])c1 ZINC000810160202 1135933080 /nfs/dbraw/zinc/93/30/80/1135933080.db2.gz XPZXAEYJSHUUEI-NRFANRHFSA-N 0 3 341.451 3.759 20 10 EHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)nc1 ZINC000810214993 1135938126 /nfs/dbraw/zinc/93/81/26/1135938126.db2.gz NNUKUJVBMLDAMU-LLVKDONJSA-N 0 3 333.229 3.630 20 10 EHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810209792 1135943336 /nfs/dbraw/zinc/94/33/36/1135943336.db2.gz VVCBOEXVWSOIFM-BLLLJJGKSA-N 0 3 342.405 3.936 20 10 EHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c2c1c(F)ccc2[O-] ZINC000810247126 1135947741 /nfs/dbraw/zinc/94/77/41/1135947741.db2.gz TWXLPNZSYYWGOA-UBIBAOAHSA-N 0 3 341.426 3.835 20 10 EHCDHN CCOc1ccc(C[NH2+]CCc2nc3c(cccc3C)o2)c([O-])c1 ZINC000776218840 1136067120 /nfs/dbraw/zinc/06/71/20/1136067120.db2.gz KZFNRLFKOKORBN-UHFFFAOYSA-N 0 3 326.396 3.573 20 10 EHCDHN C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000850355154 1136240051 /nfs/dbraw/zinc/24/00/51/1136240051.db2.gz HBDHYUWFMRWTFW-JXQFQVJHSA-N 0 3 343.492 3.839 20 10 EHCDHN OC1CCN(c2ccc(CNCc3coc4ccccc34)cc2)CC1 ZINC000850406188 1136251351 /nfs/dbraw/zinc/25/13/51/1136251351.db2.gz WFFNSIADNWLUGW-UHFFFAOYSA-N 0 3 336.435 3.684 20 10 EHCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cccc(F)c3F)C2)cc1 ZINC000850487119 1136268980 /nfs/dbraw/zinc/26/89/80/1136268980.db2.gz GEHLLYFCINGPAA-UONOGXRCSA-N 0 3 332.394 3.903 20 10 EHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000851879307 1136415524 /nfs/dbraw/zinc/41/55/24/1136415524.db2.gz HYMVJSAEMXDCDH-QAPCUYQASA-N 0 3 325.408 3.661 20 10 EHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000851879307 1136415527 /nfs/dbraw/zinc/41/55/27/1136415527.db2.gz HYMVJSAEMXDCDH-QAPCUYQASA-N 0 3 325.408 3.661 20 10 EHCDHN CSC[C@H](CCO)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815583166 1136614677 /nfs/dbraw/zinc/61/46/77/1136614677.db2.gz YKFZXZVBWFOJOZ-HKUYNNGSSA-N 0 3 345.508 3.770 20 10 EHCDHN CC(C)[C@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815625591 1136620413 /nfs/dbraw/zinc/62/04/13/1136620413.db2.gz HKFRDMJONQZIQH-ICSRJNTNSA-N 0 3 327.468 3.920 20 10 EHCDHN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000816565907 1136737731 /nfs/dbraw/zinc/73/77/31/1136737731.db2.gz FXWDFJCGVQQKTB-OLZOCXBDSA-N 0 3 340.870 3.927 20 10 EHCDHN C[C@H](NCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000776890579 1136789078 /nfs/dbraw/zinc/78/90/78/1136789078.db2.gz QPJWTENSVOBYHA-AWEZNQCLSA-N 0 3 340.895 3.642 20 10 EHCDHN CON1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000817586827 1136826020 /nfs/dbraw/zinc/82/60/20/1136826020.db2.gz BGCPVRCEPMDZCW-FQEVSTJZSA-N 0 3 340.467 3.682 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817986365 1136855460 /nfs/dbraw/zinc/85/54/60/1136855460.db2.gz PYWYBTREZPGXNR-NWDGAFQWSA-N 0 3 328.378 3.736 20 10 EHCDHN Cc1ccc(O[C@@H]2CCN(C/C=C\c3ccc(N(C)C)cc3)C2)nc1 ZINC000858013387 1136930558 /nfs/dbraw/zinc/93/05/58/1136930558.db2.gz ICNDTNUMRBIZOI-BBIZLLLXSA-N 0 3 337.467 3.623 20 10 EHCDHN CC[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858448866 1136968830 /nfs/dbraw/zinc/96/88/30/1136968830.db2.gz SNKVALGAESBRSE-JKSUJKDBSA-N 0 3 340.393 3.793 20 10 EHCDHN C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000858491179 1136972749 /nfs/dbraw/zinc/97/27/49/1136972749.db2.gz ZRDNGFAIMUXSIX-STQMWFEESA-N 0 3 330.394 3.794 20 10 EHCDHN COc1nccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)n1 ZINC000823375376 1137096870 /nfs/dbraw/zinc/09/68/70/1137096870.db2.gz OCLQWFAFCCOXKB-UHFFFAOYSA-N 0 3 327.428 3.526 20 10 EHCDHN COc1nccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)n1 ZINC000823375376 1137096872 /nfs/dbraw/zinc/09/68/72/1137096872.db2.gz OCLQWFAFCCOXKB-UHFFFAOYSA-N 0 3 327.428 3.526 20 10 EHCDHN CCN1CCCC[C@@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001136755443 1137107662 /nfs/dbraw/zinc/10/76/62/1137107662.db2.gz WCEMERQRCQVEHK-MRXNPFEDSA-N 0 3 345.512 3.760 20 10 EHCDHN CO[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C ZINC000824821054 1137153999 /nfs/dbraw/zinc/15/39/99/1137153999.db2.gz SSQFNDZHRCPZKR-LRDDRELGSA-N 0 3 330.394 3.628 20 10 EHCDHN CC(C)OCCOC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000825207037 1137168913 /nfs/dbraw/zinc/16/89/13/1137168913.db2.gz CCLHTCMCINDKME-UHFFFAOYSA-N 0 3 343.467 3.951 20 10 EHCDHN CCc1cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665801 1137222550 /nfs/dbraw/zinc/22/25/50/1137222550.db2.gz VZYGJTRGPGMEFP-BTYIYWSLSA-N 0 3 347.499 3.632 20 10 EHCDHN CC[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(C)cc1[O-] ZINC000794805977 1137259037 /nfs/dbraw/zinc/25/90/37/1137259037.db2.gz ZNJSWBZECUGVGP-QGZVFWFLSA-N 0 3 330.497 3.861 20 10 EHCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCS2)c1[O-] ZINC000865724653 1137306873 /nfs/dbraw/zinc/30/68/73/1137306873.db2.gz BGYAMFWSHOHILP-LBPRGKRZSA-N 0 3 346.290 3.539 20 10 EHCDHN COc1ccc(N2CCCN(Cc3cc4cnccc4o3)CC2)cc1 ZINC000845905074 1137319039 /nfs/dbraw/zinc/31/90/39/1137319039.db2.gz MSLLNYSXBCHRCG-UHFFFAOYSA-N 0 3 337.423 3.549 20 10 EHCDHN COc1cccc([C@H](C)NCc2cccc(OC(C)(C)C)n2)c1O ZINC000846157657 1137336679 /nfs/dbraw/zinc/33/66/79/1137336679.db2.gz NTGMRUHVZVNTBR-ZDUSSCGKSA-N 0 3 330.428 3.824 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccccc1[O-] ZINC000121087899 1137359386 /nfs/dbraw/zinc/35/93/86/1137359386.db2.gz OQKBRYICETUVCE-CQSZACIVSA-N 0 3 340.345 3.969 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866533637 1137362230 /nfs/dbraw/zinc/36/22/30/1137362230.db2.gz SSNPMKHZOSEGMU-UKRRQHHQSA-N 0 3 339.863 3.590 20 10 EHCDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc(O)c1[O-] ZINC001171961063 1137519623 /nfs/dbraw/zinc/51/96/23/1137519623.db2.gz PIWMRALNNIEMMM-NSHDSACASA-N 0 3 325.330 3.837 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1[O-] ZINC000872258780 1137576581 /nfs/dbraw/zinc/57/65/81/1137576581.db2.gz AKDFMDREJNYVPA-INIZCTEOSA-N 0 3 339.863 3.978 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1[O-] ZINC000872258780 1137576582 /nfs/dbraw/zinc/57/65/82/1137576582.db2.gz AKDFMDREJNYVPA-INIZCTEOSA-N 0 3 339.863 3.978 20 10 EHCDHN Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000877025710 1137667986 /nfs/dbraw/zinc/66/79/86/1137667986.db2.gz SQJWEHLRTQFGSO-MRXNPFEDSA-N 0 3 325.330 3.543 20 10 EHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000877544737 1137680609 /nfs/dbraw/zinc/68/06/09/1137680609.db2.gz VPUALRKQWHOQQY-OAQYLSRUSA-N 0 3 325.452 3.518 20 10 EHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000877544737 1137680610 /nfs/dbraw/zinc/68/06/10/1137680610.db2.gz VPUALRKQWHOQQY-OAQYLSRUSA-N 0 3 325.452 3.518 20 10 EHCDHN C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877755991 1137688191 /nfs/dbraw/zinc/68/81/91/1137688191.db2.gz XCRWROOGCXCAIF-AUUYWEPGSA-N 0 3 334.460 3.690 20 10 EHCDHN C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1[O-] ZINC000877757051 1137688368 /nfs/dbraw/zinc/68/83/68/1137688368.db2.gz CTXBRISNLLWRPP-AWEZNQCLSA-N 0 3 341.411 3.620 20 10 EHCDHN CCN(C)c1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000879377830 1137745927 /nfs/dbraw/zinc/74/59/27/1137745927.db2.gz VRTBIRXTDPXFBF-CYBMUJFWSA-N 0 3 325.412 3.840 20 10 EHCDHN COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000120327445 1137948628 /nfs/dbraw/zinc/94/86/28/1137948628.db2.gz GSWPDHQLTRXBRU-FOIQADDNSA-N 0 3 328.456 3.536 20 10 EHCDHN C[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1cc(F)ccc1[O-] ZINC000886711279 1138122464 /nfs/dbraw/zinc/12/24/64/1138122464.db2.gz RICQCICSPXHKRB-HOCLYGCPSA-N 0 3 337.435 3.548 20 10 EHCDHN CC(C)(C)[S@](=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265284153 1138795356 /nfs/dbraw/zinc/79/53/56/1138795356.db2.gz JFTWLMXOYAPJLY-HSZRJFAPSA-N 0 3 331.481 3.696 20 10 EHCDHN CCOc1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1O ZINC000179878777 1139790999 /nfs/dbraw/zinc/79/09/99/1139790999.db2.gz NCTJZIGVFZMBKJ-UHFFFAOYSA-N 0 3 339.435 3.886 20 10 EHCDHN COc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1OC(F)F ZINC000183479735 1140041875 /nfs/dbraw/zinc/04/18/75/1140041875.db2.gz POWQMZWFERRVKW-GFCCVEGCSA-N 0 3 337.366 3.896 20 10 EHCDHN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccccc3[O-])CC2)oc1C ZINC000183509067 1140043014 /nfs/dbraw/zinc/04/30/14/1140043014.db2.gz HEZIPYYUBUNOLX-HNNXBMFYSA-N 0 3 343.471 3.560 20 10 EHCDHN C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000185049460 1140134043 /nfs/dbraw/zinc/13/40/43/1140134043.db2.gz RQRQGYIATCNXKY-RDTXWAMCSA-N 0 3 342.414 3.546 20 10 EHCDHN CCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000185071921 1140135279 /nfs/dbraw/zinc/13/52/79/1140135279.db2.gz BWHHAGVTQOEIEZ-LJQANCHMSA-N 0 3 343.446 3.688 20 10 EHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000186232548 1140193649 /nfs/dbraw/zinc/19/36/49/1140193649.db2.gz UISDEISZNNSSDV-QOJFYFMMSA-N 0 3 337.341 3.990 20 10 EHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000187302513 1140248926 /nfs/dbraw/zinc/24/89/26/1140248926.db2.gz OLVRASOFEZOKHQ-BZPMIXESSA-N 0 3 342.277 3.665 20 10 EHCDHN COCCC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187379320 1140253317 /nfs/dbraw/zinc/25/33/17/1140253317.db2.gz OCLORCRFKYCEHD-GFCCVEGCSA-N 0 3 342.277 3.930 20 10 EHCDHN CSC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000188176568 1140285947 /nfs/dbraw/zinc/28/59/47/1140285947.db2.gz UQGZISATCXIVRM-YJBOKZPZSA-N 0 3 331.481 3.679 20 10 EHCDHN CSC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000188176568 1140285948 /nfs/dbraw/zinc/28/59/48/1140285948.db2.gz UQGZISATCXIVRM-YJBOKZPZSA-N 0 3 331.481 3.679 20 10 EHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000190303696 1140397746 /nfs/dbraw/zinc/39/77/46/1140397746.db2.gz TYIWBQXOJQAQPI-YLJYHZDGSA-N 0 3 341.451 3.612 20 10 EHCDHN CCCOc1ccc(CN[C@H]2CCOc3ccc(OC)cc32)c(O)c1 ZINC000274276356 1141492480 /nfs/dbraw/zinc/49/24/80/1141492480.db2.gz SWLSQGQJUZSROC-SFHVURJKSA-N 0 3 343.423 3.803 20 10 EHCDHN CCCOc1ccc(C[NH2+][C@H]2CCOc3ccc(OC)cc32)c([O-])c1 ZINC000274276356 1141492485 /nfs/dbraw/zinc/49/24/85/1141492485.db2.gz SWLSQGQJUZSROC-SFHVURJKSA-N 0 3 343.423 3.803 20 10 EHCDHN CC[C@](C)(CCO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183159785 1125459297 /nfs/dbraw/zinc/45/92/97/1125459297.db2.gz NVALQZPQDXHZOG-HXUWFJFHSA-N 0 3 329.440 3.612 20 10 EHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)c1[O-] ZINC000275141514 1016096665 /nfs/dbraw/zinc/09/66/65/1016096665.db2.gz RNDYZIVFIXOWFO-YWPYICTPSA-N 0 3 342.277 3.665 20 10 EHCDHN COc1ccc(CNC2(c3cccc(Cl)c3)CC2)c(O)c1OC ZINC000893010435 1018145424 /nfs/dbraw/zinc/14/54/24/1018145424.db2.gz XGKNZCAVPDGIIA-UHFFFAOYSA-N 0 3 333.815 3.842 20 10 EHCDHN CCN(CC)c1ccc(CNCc2cccc(NC(C)=O)c2)cc1 ZINC000069831014 1020806042 /nfs/dbraw/zinc/80/60/42/1020806042.db2.gz DDCPANGEXOIMOR-UHFFFAOYSA-N 0 3 325.456 3.781 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccccc1[O-] ZINC000366671993 1021904051 /nfs/dbraw/zinc/90/40/51/1021904051.db2.gz KJIAFARLFHRONJ-SOLBZPMBSA-N 0 3 330.472 3.614 20 10 EHCDHN CC1(C)CC[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)OC1 ZINC001167982355 1022825484 /nfs/dbraw/zinc/82/54/84/1022825484.db2.gz CNRATZYFNRMEFH-QZTJIDSGSA-N 0 3 333.472 3.578 20 10 EHCDHN CC1(C)CC[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)OC1 ZINC001167982355 1022825500 /nfs/dbraw/zinc/82/55/00/1022825500.db2.gz CNRATZYFNRMEFH-QZTJIDSGSA-N 0 3 333.472 3.578 20 10 EHCDHN Cc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])n(C)n1 ZINC000294026214 1022959600 /nfs/dbraw/zinc/95/96/00/1022959600.db2.gz FFXUXFQPLZZIJH-HXUWFJFHSA-N 0 3 335.451 3.898 20 10 EHCDHN C[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1O ZINC000280908680 1024423689 /nfs/dbraw/zinc/42/36/89/1024423689.db2.gz GGYYWHQHGKRAAZ-RISCZKNCSA-N 0 3 341.329 3.675 20 10 EHCDHN Cc1ccc(CNCc2cc(NC(=O)OC(C)(C)C)ccn2)c(O)c1 ZINC000895760212 1024801283 /nfs/dbraw/zinc/80/12/83/1024801283.db2.gz DBOTXNWCHMMNOX-UHFFFAOYSA-N 0 3 343.427 3.732 20 10 EHCDHN Oc1ccc(F)cc1CNCc1cc(Br)ccc1F ZINC000226583755 1033248816 /nfs/dbraw/zinc/24/88/16/1033248816.db2.gz VAHPRBKCXWKTSD-UHFFFAOYSA-N 0 3 328.156 3.723 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cc(F)ccc1[O-] ZINC000273521651 1027472670 /nfs/dbraw/zinc/47/26/70/1027472670.db2.gz UONSQAWZJAIFFN-GXTWGEPZSA-N 0 3 325.449 3.627 20 10 EHCDHN COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)c1 ZINC000273621383 1027523579 /nfs/dbraw/zinc/52/35/79/1027523579.db2.gz ZDCACFPNWXRTAA-HOTGVXAUSA-N 0 3 326.440 3.639 20 10 EHCDHN COc1ccc(O)c(CN[C@H](C)c2cc(Cl)cc3c2OCC3)c1 ZINC000897337870 1028701766 /nfs/dbraw/zinc/70/17/66/1028701766.db2.gz CUFIUSDUPPKHJG-LLVKDONJSA-N 0 3 333.815 3.840 20 10 EHCDHN O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272347353 1029426994 /nfs/dbraw/zinc/42/69/94/1029426994.db2.gz ZXMCVNVCPGSTAT-UHFFFAOYSA-N 0 3 346.377 3.521 20 10 EHCDHN CC(C)CCn1cccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000161763174 1030109610 /nfs/dbraw/zinc/10/96/10/1030109610.db2.gz HIKJGLISKSBUCT-UHFFFAOYSA-N 0 3 341.499 3.661 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H]1CCN1Cc1ccc(OC)cc1)c1ccccc1[O-] ZINC000527964491 1031531125 /nfs/dbraw/zinc/53/11/25/1031531125.db2.gz CLTHZQYZDONRHG-PXNSSMCTSA-N 0 3 340.467 3.716 20 10 EHCDHN CCN(CCC[NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000310064450 1034218562 /nfs/dbraw/zinc/21/85/62/1034218562.db2.gz ATKMUBNKBCBYQZ-CYBMUJFWSA-N 0 3 340.439 3.829 20 10 EHCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202807 1034409599 /nfs/dbraw/zinc/40/95/99/1034409599.db2.gz MSRBTOOMUZIINO-QGZVFWFLSA-N 0 3 349.858 3.827 20 10 EHCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761202807 1034409608 /nfs/dbraw/zinc/40/96/08/1034409608.db2.gz MSRBTOOMUZIINO-QGZVFWFLSA-N 0 3 349.858 3.827 20 10 EHCDHN COCCC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000530094257 1034957078 /nfs/dbraw/zinc/95/70/78/1034957078.db2.gz ARKBDXIJACUGGD-UHFFFAOYSA-N 0 3 329.440 3.803 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c([O-])c1 ZINC000186152780 1035591242 /nfs/dbraw/zinc/59/12/42/1035591242.db2.gz AJXJISLOZXWEDY-DLBZAZTESA-N 0 3 339.483 3.972 20 10 EHCDHN COc1cc(Cl)cc(CN2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186443118 1035634785 /nfs/dbraw/zinc/63/47/85/1035634785.db2.gz MXRLDQYYMCGNKX-IBGZPJMESA-N 0 3 345.826 3.686 20 10 EHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000186443118 1035634794 /nfs/dbraw/zinc/63/47/94/1035634794.db2.gz MXRLDQYYMCGNKX-IBGZPJMESA-N 0 3 345.826 3.686 20 10 EHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000186443118 1035634803 /nfs/dbraw/zinc/63/48/03/1035634803.db2.gz MXRLDQYYMCGNKX-IBGZPJMESA-N 0 3 345.826 3.686 20 10 EHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)C2CCOCC2)c1[O-] ZINC000897448918 1037761341 /nfs/dbraw/zinc/76/13/41/1037761341.db2.gz ZZJDMAYUPYBUIG-UHFFFAOYSA-N 0 3 327.852 3.597 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000180141220 1038056822 /nfs/dbraw/zinc/05/68/22/1038056822.db2.gz XSXMNHZPGQESBI-UHFFFAOYSA-N 0 3 329.415 3.960 20 10 EHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000180141220 1038056830 /nfs/dbraw/zinc/05/68/30/1038056830.db2.gz XSXMNHZPGQESBI-UHFFFAOYSA-N 0 3 329.415 3.960 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3c3ccnn3C)c2c1 ZINC000905742870 1039076904 /nfs/dbraw/zinc/07/69/04/1039076904.db2.gz VLQCRIQJPAXWLR-LJQANCHMSA-N 0 3 337.423 3.625 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3c3ccnn3C)c2c1 ZINC000905742870 1039076920 /nfs/dbraw/zinc/07/69/20/1039076920.db2.gz VLQCRIQJPAXWLR-LJQANCHMSA-N 0 3 337.423 3.625 20 10 EHCDHN COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000185391002 1039094608 /nfs/dbraw/zinc/09/46/08/1039094608.db2.gz MOFKDNKOXUUQET-GJZGRUSLSA-N 0 3 329.440 4.000 20 10 EHCDHN COc1ccccc1SC[C@@H](C)C[NH2+]Cc1c([O-])cccc1OC ZINC000728781847 1040444157 /nfs/dbraw/zinc/44/41/57/1040444157.db2.gz DACWOJJSXDTKDL-AWEZNQCLSA-N 0 3 347.480 3.927 20 10 EHCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccc(C)cc1[O-] ZINC000279961837 1041284180 /nfs/dbraw/zinc/28/41/80/1041284180.db2.gz CJIPLTCHFIRHQY-SFHVURJKSA-N 0 3 347.480 3.735 20 10 EHCDHN COc1cccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCCC2)c1 ZINC000183380995 1125543244 /nfs/dbraw/zinc/54/32/44/1125543244.db2.gz FALOMVYERXGNPL-JXFKEZNVSA-N 0 3 340.467 3.889 20 10 EHCDHN C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccccc1[O-] ZINC000183509041 1125588760 /nfs/dbraw/zinc/58/87/60/1125588760.db2.gz PSAAZEGOOKGCOO-MRXNPFEDSA-N 0 3 341.451 3.939 20 10 EHCDHN C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccccc1[O-] ZINC000183609415 1125617600 /nfs/dbraw/zinc/61/76/00/1125617600.db2.gz ADKYELBFIPUQQT-CYBMUJFWSA-N 0 3 325.437 3.804 20 10 EHCDHN CCN1CCN(Cc2ccc(N[C@@H](C)c3ccccc3O)cc2)CC1 ZINC000183649659 1125657896 /nfs/dbraw/zinc/65/78/96/1125657896.db2.gz XNLVMAWOPIKIAE-KRWDZBQOSA-N 0 3 339.483 3.703 20 10 EHCDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCc2sccc2C1 ZINC000185174537 1126803448 /nfs/dbraw/zinc/80/34/48/1126803448.db2.gz QCIYAFCEXAZHIW-CHWSQXEVSA-N 0 3 334.460 3.690 20 10 EHCDHN COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000185391103 1126883853 /nfs/dbraw/zinc/88/38/53/1126883853.db2.gz HPSSGFHORYARAM-STQMWFEESA-N 0 3 333.403 3.830 20 10 EHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000185533919 1126928267 /nfs/dbraw/zinc/92/82/67/1126928267.db2.gz XKMJYXICRCFRQJ-BBRMVZONSA-N 0 3 334.460 3.655 20 10 EHCDHN COc1ccc(N2CCC(N[C@@H](C)c3csc(C)n3)CC2)cc1 ZINC000765855573 1128602106 /nfs/dbraw/zinc/60/21/06/1128602106.db2.gz ZRUIECVSUOALDN-ZDUSSCGKSA-N 0 3 331.485 3.780 20 10 EHCDHN COc1ccc([C@H]2C[C@H]([N@@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665235 1128744993 /nfs/dbraw/zinc/74/49/93/1128744993.db2.gz NRZPMFUCNCPERH-DYESRHJHSA-N 0 3 339.435 3.679 20 10 EHCDHN COc1ccc([C@H]2C[C@H]([N@H+]3CCc4cccc([O-])c4C3)CCO2)cc1 ZINC001168665235 1128744997 /nfs/dbraw/zinc/74/49/97/1128744997.db2.gz NRZPMFUCNCPERH-DYESRHJHSA-N 0 3 339.435 3.679 20 10 EHCDHN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2cc(F)cc(F)c2[O-])C1 ZINC001648927551 1120225296 /nfs/dbraw/zinc/22/52/96/1120225296.db2.gz ZDSHAGRJNMUZOK-BETUJISGSA-N 0 3 326.431 3.517 20 10 EHCDHN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2cc(F)cc(F)c2[O-])C1 ZINC001648927551 1120225299 /nfs/dbraw/zinc/22/52/99/1120225299.db2.gz ZDSHAGRJNMUZOK-BETUJISGSA-N 0 3 326.431 3.517 20 10 EHCDHN CO[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H](C)C1 ZINC000282127329 1121865640 /nfs/dbraw/zinc/86/56/40/1121865640.db2.gz BFCVKGOJXZXKAU-APWZRJJASA-N 0 3 341.451 3.971 20 10 EHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H](C)C1 ZINC000282127329 1121865643 /nfs/dbraw/zinc/86/56/43/1121865643.db2.gz BFCVKGOJXZXKAU-APWZRJJASA-N 0 3 341.451 3.971 20 10 EHCDHN CC[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1[O-] ZINC000282373273 1129665441 /nfs/dbraw/zinc/66/54/41/1129665441.db2.gz IMDUXOQFMNDHPG-FUHWJXTLSA-N 0 3 339.439 3.739 20 10 EHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1cc(F)ccc1[O-] ZINC000700742744 1130067011 /nfs/dbraw/zinc/06/70/11/1130067011.db2.gz PQEYXVBJJJZLIO-SLEUVZQESA-N 0 3 338.423 3.580 20 10 EHCDHN CCC[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000727830834 1130598822 /nfs/dbraw/zinc/59/88/22/1130598822.db2.gz QEMDFIPLBSOPTK-UHFFFAOYSA-N 0 3 343.423 3.802 20 10 EHCDHN CCC[N@@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccccc1[O-] ZINC000727830834 1130598825 /nfs/dbraw/zinc/59/88/25/1130598825.db2.gz QEMDFIPLBSOPTK-UHFFFAOYSA-N 0 3 343.423 3.802 20 10 EHCDHN Cc1cc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C(C)C ZINC000730256812 1130691606 /nfs/dbraw/zinc/69/16/06/1130691606.db2.gz BJZCYYXQYFWTRP-MRXNPFEDSA-N 0 3 348.487 3.923 20 10 EHCDHN CC(C)[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N(C)C ZINC000730283927 1130693431 /nfs/dbraw/zinc/69/34/31/1130693431.db2.gz XRTZQMTVDLVAFN-HXUWFJFHSA-N 0 3 345.531 3.658 20 10 EHCDHN CCCN(CCC)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845737 1130849646 /nfs/dbraw/zinc/84/96/46/1130849646.db2.gz IVTCOHXPUBRPOL-UHFFFAOYSA-N 0 3 332.488 3.785 20 10 EHCDHN CCCN(CCC)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845737 1130849649 /nfs/dbraw/zinc/84/96/49/1130849649.db2.gz IVTCOHXPUBRPOL-UHFFFAOYSA-N 0 3 332.488 3.785 20 10 EHCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000733334333 1131028599 /nfs/dbraw/zinc/02/85/99/1131028599.db2.gz GYDMPZUODVOPDZ-SFHVURJKSA-N 0 3 348.849 3.939 20 10 EHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173731136 1132143128 /nfs/dbraw/zinc/14/31/28/1132143128.db2.gz SREVTMMFICWZAY-HNNXBMFYSA-N 0 3 327.424 3.632 20 10 EHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173731136 1132143131 /nfs/dbraw/zinc/14/31/31/1132143131.db2.gz SREVTMMFICWZAY-HNNXBMFYSA-N 0 3 327.424 3.632 20 10 EHCDHN O=C(OC1CCC([NH2+]Cc2ccccc2[O-])CC1)c1ccccc1 ZINC001169276085 1132713170 /nfs/dbraw/zinc/71/31/70/1132713170.db2.gz VMQDJWMHXWSBLR-UHFFFAOYSA-N 0 3 325.408 3.650 20 10 EHCDHN Cc1cc(CN[C@]2(CO)CC[C@H](C)c3ccccc32)ccc1N(C)C ZINC001176932039 1133011099 /nfs/dbraw/zinc/01/10/99/1133011099.db2.gz AJNXCFRKMRTYQB-AOMKIAJQSA-N 0 3 338.495 3.936 20 10 EHCDHN CC(C)(C)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OC[C@@H]2O)c1ccccc1 ZINC000768440234 1133139664 /nfs/dbraw/zinc/13/96/64/1133139664.db2.gz UQAKUMTZGZVNBT-HKUYNNGSSA-N 0 3 327.424 3.695 20 10 EHCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1C ZINC000768448797 1133140567 /nfs/dbraw/zinc/14/05/67/1133140567.db2.gz XNRCWRFHTOBNLN-ICSRJNTNSA-N 0 3 339.435 3.772 20 10 EHCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2[O-])OC[C@@H]3O)c1C ZINC000768448797 1133140570 /nfs/dbraw/zinc/14/05/70/1133140570.db2.gz XNRCWRFHTOBNLN-ICSRJNTNSA-N 0 3 339.435 3.772 20 10 EHCDHN CCCOc1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)cc1C ZINC001178483775 1133172733 /nfs/dbraw/zinc/17/27/33/1133172733.db2.gz YTNBESGLCUOSIK-SFHVURJKSA-N 0 3 338.451 3.679 20 10 EHCDHN Oc1ccc(CNc2ccnc3ccc(C(F)(F)F)cc32)cc1O ZINC001169994850 1133177290 /nfs/dbraw/zinc/17/72/90/1133177290.db2.gz KPQSWPGACBABEZ-UHFFFAOYSA-N 0 3 334.297 3.699 20 10 EHCDHN CN(C)c1cc(F)c(CNCCc2nsc3ccccc23)cc1F ZINC001179247796 1133238714 /nfs/dbraw/zinc/23/87/14/1133238714.db2.gz LGSINFLLACJIIU-UHFFFAOYSA-N 0 3 347.434 3.973 20 10 EHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccc2c1OCCCO2 ZINC000769200639 1133243058 /nfs/dbraw/zinc/24/30/58/1133243058.db2.gz FHANWCWDAPVXNZ-UHFFFAOYSA-N 0 3 327.424 3.966 20 10 EHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccc2c1OCCCO2 ZINC000769200639 1133243064 /nfs/dbraw/zinc/24/30/64/1133243064.db2.gz FHANWCWDAPVXNZ-UHFFFAOYSA-N 0 3 327.424 3.966 20 10 EHCDHN COc1cccc([C@H](C)N2CCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000769327694 1133262594 /nfs/dbraw/zinc/26/25/94/1133262594.db2.gz KRBKYWVTDFGEOR-KRWDZBQOSA-N 0 3 340.467 3.588 20 10 EHCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769469956 1133298101 /nfs/dbraw/zinc/29/81/01/1133298101.db2.gz ILBGLEYKOYDTLH-ATZDWAIDSA-N 0 3 333.472 3.816 20 10 EHCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769469956 1133298106 /nfs/dbraw/zinc/29/81/06/1133298106.db2.gz ILBGLEYKOYDTLH-ATZDWAIDSA-N 0 3 333.472 3.816 20 10 EHCDHN Cc1cccc(CN2CCN(Cc3ccc(N(C)C)cc3C)CC2)c1 ZINC001180413310 1133372643 /nfs/dbraw/zinc/37/26/43/1133372643.db2.gz SKMPAKGEOLJQEC-UHFFFAOYSA-N 0 3 337.511 3.687 20 10 EHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000770288867 1133405373 /nfs/dbraw/zinc/40/53/73/1133405373.db2.gz CFBXGJFVHSLHRQ-CJNGLKHVSA-N 0 3 333.453 3.550 20 10 EHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000770288867 1133405375 /nfs/dbraw/zinc/40/53/75/1133405375.db2.gz CFBXGJFVHSLHRQ-CJNGLKHVSA-N 0 3 333.453 3.550 20 10 EHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350936 1133418588 /nfs/dbraw/zinc/41/85/88/1133418588.db2.gz QRAMLNFVMSKUDN-VLIAUNLRSA-N 0 3 327.424 3.615 20 10 EHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000770350936 1133418592 /nfs/dbraw/zinc/41/85/92/1133418592.db2.gz QRAMLNFVMSKUDN-VLIAUNLRSA-N 0 3 327.424 3.615 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(OC)cc2)c([O-])c1 ZINC000771875896 1133605044 /nfs/dbraw/zinc/60/50/44/1133605044.db2.gz IWYIKPCZDOXSEM-JLTOFOAXSA-N 0 3 345.439 3.665 20 10 EHCDHN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000774481020 1133687336 /nfs/dbraw/zinc/68/73/36/1133687336.db2.gz GZDLBUYPPBYHLL-XFEYQPKCSA-N 0 3 345.531 3.733 20 10 EHCDHN CCc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774480418 1133687348 /nfs/dbraw/zinc/68/73/48/1133687348.db2.gz BQJXOXVOYXXRIO-HOTGVXAUSA-N 0 3 339.483 3.993 20 10 EHCDHN CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000785764161 1133750048 /nfs/dbraw/zinc/75/00/48/1133750048.db2.gz QHXASEJOHCNPFX-IBGZPJMESA-N 0 3 347.466 3.875 20 10 EHCDHN CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000785764161 1133750053 /nfs/dbraw/zinc/75/00/53/1133750053.db2.gz QHXASEJOHCNPFX-IBGZPJMESA-N 0 3 347.466 3.875 20 10 EHCDHN Cc1cc(Br)cc(C[NH2+]CC2(C)CC(F)(F)C2)c1[O-] ZINC001183561823 1133823722 /nfs/dbraw/zinc/82/37/22/1133823722.db2.gz VUKKPGXPSAHQDF-UHFFFAOYSA-N 0 3 334.204 3.988 20 10 EHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CCCO1 ZINC000788018289 1134064785 /nfs/dbraw/zinc/06/47/85/1134064785.db2.gz AEMSQGGCHICTDT-RBUKOAKNSA-N 0 3 345.483 3.865 20 10 EHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CCCO1 ZINC000788018289 1134064791 /nfs/dbraw/zinc/06/47/91/1134064791.db2.gz AEMSQGGCHICTDT-RBUKOAKNSA-N 0 3 345.483 3.865 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c([O-])c1 ZINC000788531869 1134143893 /nfs/dbraw/zinc/14/38/93/1134143893.db2.gz GVQUZUKGKXEGSC-QGZVFWFLSA-N 0 3 340.467 3.797 20 10 EHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000788669577 1134159948 /nfs/dbraw/zinc/15/99/48/1134159948.db2.gz DSJSPEUGSIGJNE-ZFWWWQNUSA-N 0 3 336.476 3.820 20 10 EHCDHN COc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(O)cc1C ZINC000789482987 1134281593 /nfs/dbraw/zinc/28/15/93/1134281593.db2.gz STMYUXJIJGTXML-CABCVRRESA-N 0 3 330.255 3.725 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@H](C(C)(C)C)C3)c2c1 ZINC000790414633 1134413476 /nfs/dbraw/zinc/41/34/76/1134413476.db2.gz PBVHPTRQOJDQGB-LJQANCHMSA-N 0 3 329.440 3.801 20 10 EHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@H](C(C)(C)C)C3)c2c1 ZINC000790414633 1134413477 /nfs/dbraw/zinc/41/34/77/1134413477.db2.gz PBVHPTRQOJDQGB-LJQANCHMSA-N 0 3 329.440 3.801 20 10 EHCDHN CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775201201 1134511063 /nfs/dbraw/zinc/51/10/63/1134511063.db2.gz CMGGKYZTFVEGKR-KRWDZBQOSA-N 0 3 327.852 3.835 20 10 EHCDHN CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000775201201 1134511068 /nfs/dbraw/zinc/51/10/68/1134511068.db2.gz CMGGKYZTFVEGKR-KRWDZBQOSA-N 0 3 327.852 3.835 20 10 EHCDHN COC[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792825697 1134796607 /nfs/dbraw/zinc/79/66/07/1134796607.db2.gz YSTGQUZMTGIIMI-ZDUSSCGKSA-N 0 3 330.394 3.630 20 10 EHCDHN COCCC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000793330410 1134906958 /nfs/dbraw/zinc/90/69/58/1134906958.db2.gz YCXVBZXBKCBUDJ-UHFFFAOYSA-N 0 3 328.250 3.512 20 10 EHCDHN CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500766 1134967308 /nfs/dbraw/zinc/96/73/08/1134967308.db2.gz KVXHAMSYIKHXRC-KRWDZBQOSA-N 0 3 340.895 3.587 20 10 EHCDHN CC[C@H]([NH2+]CCCOc1cc(OC)cc(OC)c1)c1ccccc1[O-] ZINC000775525863 1135010956 /nfs/dbraw/zinc/01/09/56/1135010956.db2.gz GIZKDGLEVKUPSM-IBGZPJMESA-N 0 3 345.439 3.919 20 10 EHCDHN CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c([O-])c1 ZINC000808451638 1135670177 /nfs/dbraw/zinc/67/01/77/1135670177.db2.gz UXHKBCHRXVCDTN-UYAOXDASSA-N 0 3 327.424 3.801 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c1[O-] ZINC000808681042 1135710914 /nfs/dbraw/zinc/71/09/14/1135710914.db2.gz UVUMGWJEZRDGFS-HOCLYGCPSA-N 0 3 333.859 3.856 20 10 EHCDHN Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808710240 1135718191 /nfs/dbraw/zinc/71/81/91/1135718191.db2.gz NPDZAGKWIKGWMK-GFCCVEGCSA-N 0 3 335.879 3.988 20 10 EHCDHN Oc1ccccc1CN(Cc1cnnn1-c1ccccc1)C1CCCC1 ZINC000808728812 1135730196 /nfs/dbraw/zinc/73/01/96/1135730196.db2.gz WJWXQXRJSSEUIT-UHFFFAOYSA-N 0 3 348.450 3.918 20 10 EHCDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000809718543 1135877374 /nfs/dbraw/zinc/87/73/74/1135877374.db2.gz VNVFYGJQTWXFLO-CPUCHLNUSA-N 0 3 334.460 3.516 20 10 EHCDHN C[C@H](CNCc1cc(F)c(N(C)C)cc1F)N1CCc2ccccc21 ZINC001199924236 1135938491 /nfs/dbraw/zinc/93/84/91/1135938491.db2.gz DFIBCDFMRCHGHV-CQSZACIVSA-N 0 3 345.437 3.572 20 10 EHCDHN CC(C)(CO)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000811519557 1136098537 /nfs/dbraw/zinc/09/85/37/1136098537.db2.gz YKNRYVCXSAIKCN-HXUWFJFHSA-N 0 3 325.452 3.946 20 10 EHCDHN CC1(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])OCCO1 ZINC000776265661 1136125639 /nfs/dbraw/zinc/12/56/39/1136125639.db2.gz OOBKLVQVNQKMDW-IBGZPJMESA-N 0 3 341.451 3.809 20 10 EHCDHN COc1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cc1 ZINC000107712632 1136176381 /nfs/dbraw/zinc/17/63/81/1136176381.db2.gz CJBDNPUFWBXGKJ-UHFFFAOYSA-N 0 3 332.394 3.732 20 10 EHCDHN CCc1noc(C)c1CNCc1cc(OC)cc(C(C)(C)C)c1O ZINC000850311044 1136234043 /nfs/dbraw/zinc/23/40/43/1136234043.db2.gz KZGMACAAQKSGRS-UHFFFAOYSA-N 0 3 332.444 3.847 20 10 EHCDHN CC(=O)NCc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000850484334 1136268054 /nfs/dbraw/zinc/26/80/54/1136268054.db2.gz HDOSJGNWKGBLSP-SJKOYZFVSA-N 0 3 342.414 3.506 20 10 EHCDHN COc1cccc([C@H](C)NC[C@H](OC2CCCC2)C(F)(F)F)c1O ZINC000850505187 1136273532 /nfs/dbraw/zinc/27/35/32/1136273532.db2.gz OUPGNFPTXJEDRZ-NHYWBVRUSA-N 0 3 347.377 3.942 20 10 EHCDHN COc1cccc([C@@H](C)N[C@H]2CCc3ccccc3-n3ccnc32)c1O ZINC000853242850 1136521500 /nfs/dbraw/zinc/52/15/00/1136521500.db2.gz UDMHSQCRYYKROC-PBHICJAKSA-N 0 3 349.434 3.925 20 10 EHCDHN CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134882845 1136559443 /nfs/dbraw/zinc/55/94/43/1136559443.db2.gz VUMKQNFODWEETC-LSTHTHJFSA-N 0 3 345.531 3.688 20 10 EHCDHN Cn1nccc1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815616694 1136619374 /nfs/dbraw/zinc/61/93/74/1136619374.db2.gz VZEWFHRDHCWZMT-HXUWFJFHSA-N 0 3 335.451 3.632 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000816521046 1136727066 /nfs/dbraw/zinc/72/70/66/1136727066.db2.gz FAGRGULXTVSXPN-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000816521046 1136727067 /nfs/dbraw/zinc/72/70/67/1136727067.db2.gz FAGRGULXTVSXPN-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000816521046 1136727068 /nfs/dbraw/zinc/72/70/68/1136727068.db2.gz FAGRGULXTVSXPN-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000816521046 1136727069 /nfs/dbraw/zinc/72/70/69/1136727069.db2.gz FAGRGULXTVSXPN-PXAZEXFGSA-N 0 3 338.854 3.633 20 10 EHCDHN CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)O ZINC000816653478 1136745034 /nfs/dbraw/zinc/74/50/34/1136745034.db2.gz UQBTXWJACYTAEE-LJQANCHMSA-N 0 3 329.440 3.610 20 10 EHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000816662820 1136746286 /nfs/dbraw/zinc/74/62/86/1136746286.db2.gz ZHUPNILCEJXFHG-UHFFFAOYSA-N 0 3 347.459 3.688 20 10 EHCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000776865241 1136748930 /nfs/dbraw/zinc/74/89/30/1136748930.db2.gz QOWFNPHSIPRJMX-PMPSAXMXSA-N 0 3 334.460 3.608 20 10 EHCDHN CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000817954321 1136850974 /nfs/dbraw/zinc/85/09/74/1136850974.db2.gz BUWMECSOZWRWSM-JKSUJKDBSA-N 0 3 349.272 3.895 20 10 EHCDHN COc1ccc(N2CC[C@@H](CNCc3ncc(C(C)C)s3)C2)cc1 ZINC000818219221 1136867018 /nfs/dbraw/zinc/86/70/18/1136867018.db2.gz AOIIAUDZLGKRBP-HNNXBMFYSA-N 0 3 345.512 3.891 20 10 EHCDHN CO[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C ZINC000824821057 1137153722 /nfs/dbraw/zinc/15/37/22/1137153722.db2.gz SSQFNDZHRCPZKR-WBMJQRKESA-N 0 3 330.394 3.628 20 10 EHCDHN CO[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C ZINC000824821056 1137153916 /nfs/dbraw/zinc/15/39/16/1137153916.db2.gz SSQFNDZHRCPZKR-MLGOLLRUSA-N 0 3 330.394 3.628 20 10 EHCDHN CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(C)cc1[O-] ZINC000794794373 1137252786 /nfs/dbraw/zinc/25/27/86/1137252786.db2.gz MTEZRFAKPOEYEF-QUCCMNQESA-N 0 3 326.484 3.914 20 10 EHCDHN CC[C@@H]([NH2+]CC(=O)N(CC)Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000794806656 1137257349 /nfs/dbraw/zinc/25/73/49/1137257349.db2.gz UKSZESONRBADAO-LJQANCHMSA-N 0 3 340.467 3.790 20 10 EHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(C)cc1[O-] ZINC000794817065 1137264973 /nfs/dbraw/zinc/26/49/73/1137264973.db2.gz ORELHAGFGDMONT-QZTJIDSGSA-N 0 3 330.472 3.675 20 10 EHCDHN CCc1cccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000845980982 1137323025 /nfs/dbraw/zinc/32/30/25/1137323025.db2.gz IMGQCGUVKRWHTG-UHFFFAOYSA-N 0 3 346.421 3.654 20 10 EHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846213045 1137343734 /nfs/dbraw/zinc/34/37/34/1137343734.db2.gz BNVDYNPISYIGBB-WBMJQRKESA-N 0 3 346.858 3.781 20 10 EHCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](SC)C2)c1[O-] ZINC000866487877 1137358558 /nfs/dbraw/zinc/35/85/58/1137358558.db2.gz HIJVKJRMCKAAJS-FBIMIBRVSA-N 0 3 346.290 3.708 20 10 EHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000866533638 1137362241 /nfs/dbraw/zinc/36/22/41/1137362241.db2.gz SSNPMKHZOSEGMU-ZFWWWQNUSA-N 0 3 339.863 3.590 20 10 EHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC(F)F)cc2F)c1 ZINC000866541444 1137363122 /nfs/dbraw/zinc/36/31/22/1137363122.db2.gz LYORTQBZGRHGQP-SNVBAGLBSA-N 0 3 341.329 3.992 20 10 EHCDHN COc1ccccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123496493 1137523593 /nfs/dbraw/zinc/52/35/93/1137523593.db2.gz QJIXDNQYLRPPBZ-SFHVURJKSA-N 0 3 327.424 3.582 20 10 EHCDHN COc1ccc(CNCc2ccc(C)c(F)c2)cc1Cn1cccn1 ZINC000873008718 1137587819 /nfs/dbraw/zinc/58/78/19/1137587819.db2.gz BIWGXRNMHZLLAF-UHFFFAOYSA-N 0 3 339.414 3.677 20 10 EHCDHN C[C@@H]1c2ccsc2CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876551205 1137655303 /nfs/dbraw/zinc/65/53/03/1137655303.db2.gz RIWOWOGJWWJQJZ-OAHLLOKOSA-N 0 3 342.508 3.829 20 10 EHCDHN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876728011 1137659795 /nfs/dbraw/zinc/65/97/95/1137659795.db2.gz VPZOUNASBBYSRZ-FQEVSTJZSA-N 0 3 344.499 3.704 20 10 EHCDHN C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000877755992 1137688074 /nfs/dbraw/zinc/68/80/74/1137688074.db2.gz XCRWROOGCXCAIF-KUHUBIRLSA-N 0 3 334.460 3.690 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)c1ccccc1[O-] ZINC000877756291 1137688355 /nfs/dbraw/zinc/68/83/55/1137688355.db2.gz FMPCPBSZLDDAGI-CYBMUJFWSA-N 0 3 343.427 3.985 20 10 EHCDHN C[C@@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1[O-] ZINC000877756515 1137688425 /nfs/dbraw/zinc/68/84/25/1137688425.db2.gz OVSCOMHBZVGUTH-CRAIPNDOSA-N 0 3 327.424 3.801 20 10 EHCDHN C[C@H]([NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)c1ccccc1[O-] ZINC000877758110 1137688521 /nfs/dbraw/zinc/68/85/21/1137688521.db2.gz JEVGQQRZNGJPSG-NSHDSACASA-N 0 3 339.361 3.795 20 10 EHCDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1[O-] ZINC000879648391 1137753670 /nfs/dbraw/zinc/75/36/70/1137753670.db2.gz MPFHRXHYSGNONO-BZNIZROVSA-N 0 3 336.229 3.539 20 10 EHCDHN CCN(C(=O)C[NH2+][C@@H](C)c1ccccc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000879651412 1137753860 /nfs/dbraw/zinc/75/38/60/1137753860.db2.gz UOOTVXJEQRLPAF-GJZGRUSLSA-N 0 3 344.430 3.792 20 10 EHCDHN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000883272059 1137851741 /nfs/dbraw/zinc/85/17/41/1137851741.db2.gz CJZJWZSCOGANBC-NQBHXWOUSA-N 0 3 328.250 3.539 20 10 EHCDHN CCOc1ccc(C[NH2+][C@H]2CCCOc3c(OC)cccc32)c([O-])c1 ZINC000883328565 1137855273 /nfs/dbraw/zinc/85/52/73/1137855273.db2.gz TYUVMKJLKYZLLK-KRWDZBQOSA-N 0 3 343.423 3.803 20 10 EHCDHN Cc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000120414974 1137949491 /nfs/dbraw/zinc/94/94/91/1137949491.db2.gz DVVXAAZNEYLYPZ-MRXNPFEDSA-N 0 3 328.431 3.822 20 10 EHCDHN CC(C)OC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000884476205 1137960907 /nfs/dbraw/zinc/96/09/07/1137960907.db2.gz HVOVLXDINULJPL-UHFFFAOYSA-N 0 3 349.471 3.559 20 10 EHCDHN CCc1nn(C)c(CC)c1CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000090846189 1138213921 /nfs/dbraw/zinc/21/39/21/1138213921.db2.gz HGMVKIVDEKVXPN-GOSISDBHSA-N 0 3 328.504 3.852 20 10 EHCDHN C[C@H](NCc1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000131757103 1138539838 /nfs/dbraw/zinc/53/98/38/1138539838.db2.gz OGWFLGZUORKQCJ-AWEZNQCLSA-N 0 3 332.394 3.652 20 10 EHCDHN COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)ccn1 ZINC000177842556 1139645485 /nfs/dbraw/zinc/64/54/85/1139645485.db2.gz NOJIQZCXSGYMPG-INIZCTEOSA-N 0 3 325.456 3.931 20 10 EHCDHN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000177881189 1139650698 /nfs/dbraw/zinc/65/06/98/1139650698.db2.gz KWTUAXSNSAVNPM-MRXNPFEDSA-N 0 3 339.483 3.743 20 10 EHCDHN C[C@H](O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183038569 1140009380 /nfs/dbraw/zinc/00/93/80/1140009380.db2.gz GHUUNQNGNBBYHS-INIZCTEOSA-N 0 3 341.451 3.564 20 10 EHCDHN CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183434266 1140038257 /nfs/dbraw/zinc/03/82/57/1140038257.db2.gz HFMSUJDTZDRJCE-AWEZNQCLSA-N 0 3 327.428 3.773 20 10 EHCDHN Cc1ccc([C@@H](C)NCc2cccnc2OCC(F)(F)F)c(O)c1 ZINC000184984907 1140129842 /nfs/dbraw/zinc/12/98/42/1140129842.db2.gz RFXUWNQJVABTLE-GFCCVEGCSA-N 0 3 340.345 3.888 20 10 EHCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185048836 1140133224 /nfs/dbraw/zinc/13/32/24/1140133224.db2.gz PLUYBTNQRPNBEM-APWZRJJASA-N 0 3 338.451 3.715 20 10 EHCDHN CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185048720 1140133258 /nfs/dbraw/zinc/13/32/58/1140133258.db2.gz MKWVTVVYTFJENK-ZDUSSCGKSA-N 0 3 330.403 3.522 20 10 EHCDHN CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185177064 1140138898 /nfs/dbraw/zinc/13/88/98/1140138898.db2.gz LFWXOFVWCCUNDH-AWEZNQCLSA-N 0 3 344.430 3.912 20 10 EHCDHN COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000185712244 1140165577 /nfs/dbraw/zinc/16/55/77/1140165577.db2.gz UFSOAVANUIQDLK-HZPDHXFCSA-N 0 3 326.440 3.639 20 10 EHCDHN CC[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccccc1[O-] ZINC000186423590 1140203106 /nfs/dbraw/zinc/20/31/06/1140203106.db2.gz CYWNKBSUBYWLHC-KGXSXCIVSA-N 0 3 326.440 3.658 20 10 EHCDHN Cc1noc(C)c1CN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000187059954 1140236206 /nfs/dbraw/zinc/23/62/06/1140236206.db2.gz CTUXTGJYNSGPQO-VIFPVBQESA-N 0 3 339.233 3.919 20 10 EHCDHN CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187291111 1140248561 /nfs/dbraw/zinc/24/85/61/1140248561.db2.gz BHROCPAEJFRGKG-RYUDHWBXSA-N 0 3 330.266 3.522 20 10 EHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657876 1140542198 /nfs/dbraw/zinc/54/21/98/1140542198.db2.gz NPXQGWNRBWELKJ-MNOVXSKESA-N 0 3 329.271 3.834 20 10 EHCDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000268879339 1141016246 /nfs/dbraw/zinc/01/62/46/1141016246.db2.gz ZNDDDTACCBUBPX-KRWDZBQOSA-N 0 3 343.427 3.910 20 10 EHCDHN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cccnc1 ZINC000271379792 1141354437 /nfs/dbraw/zinc/35/44/37/1141354437.db2.gz QRCZOMWEVMQADR-XHSDSOJGSA-N 0 3 343.446 3.685 20 10 EHCDHN COCC[C@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(C)o1 ZINC000273804052 1141422359 /nfs/dbraw/zinc/42/23/59/1141422359.db2.gz XPPBRFXIXSCFPS-AWEZNQCLSA-N 0 3 339.819 3.823 20 10 EHCDHN