smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000036793877 1165753440 /nfs/dbraw/zinc/75/34/40/1165753440.db2.gz XNCMOFBROYYINF-CYBMUJFWSA-N 0 3 291.395 1.090 10 10 CDCEHN CCO[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1C[NH3+] ZINC000405340689 940982812 /nfs/dbraw/zinc/98/28/12/940982812.db2.gz MOLFALMRKUEWNA-BXUZGUMPSA-N 0 3 284.787 1.841 10 10 CDCEHN C[C@@H](NCC1=NOCC1)c1ccc(N2CCOCC2)cc1 ZINC001459869764 969454538 /nfs/dbraw/zinc/45/45/38/969454538.db2.gz WTSNVNPIYPFCGH-CYBMUJFWSA-N 0 3 289.379 1.950 10 10 CDCEHN COc1cc(O)c(CN2C[C@H](O)C3(CC3)C2)cc1OC ZINC000375285696 370803135 /nfs/dbraw/zinc/80/31/35/370803135.db2.gz FFNYXVXFGYATSV-AWEZNQCLSA-N 0 3 279.336 1.366 10 10 CDCEHN O=C1N=C(N2CC[NH2+]CC2)S/C1=C/c1ccccc1[O-] ZINC000020413956 171182892 /nfs/dbraw/zinc/18/28/92/171182892.db2.gz HRIKONFIRGJEKS-FMIVXFBMSA-N 0 3 289.360 1.268 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000071408222 176156759 /nfs/dbraw/zinc/15/67/59/176156759.db2.gz LAXXOYDHUPPTEL-LLVKDONJSA-N 0 3 269.366 1.225 10 10 CDCEHN CC[C@H](C)N(Cc1ccc(N(C)C)cc1)C(=O)CN ZINC000076678744 177056773 /nfs/dbraw/zinc/05/67/73/177056773.db2.gz BMAJBHDFUSDLBE-LBPRGKRZSA-N 0 3 263.385 1.838 10 10 CDCEHN CN(C)c1ccc(CN[C@H]2CCCNC2=O)cc1F ZINC000294985031 276802417 /nfs/dbraw/zinc/80/24/17/276802417.db2.gz GXYZIVBBOTVCFC-LBPRGKRZSA-N 0 3 265.332 1.260 10 10 CDCEHN CNCc1cc(F)c(N(CCO)C2CC2)c(F)c1 ZINC000062713253 522110217 /nfs/dbraw/zinc/11/02/17/522110217.db2.gz MUMBZAYRNACITM-UHFFFAOYSA-N 0 3 256.296 1.645 10 10 CDCEHN CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000049195487 519793759 /nfs/dbraw/zinc/79/37/59/519793759.db2.gz MZGBJPQWHOOZBL-CYBMUJFWSA-N 0 3 252.358 1.774 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000084059445 525365031 /nfs/dbraw/zinc/36/50/31/525365031.db2.gz KPIFAUIFQKEJAT-NWDGAFQWSA-N 0 3 262.353 1.972 10 10 CDCEHN CC[C@@H]1CNCCN1c1ccc(OC)cc1OC ZINC000083383260 535825022 /nfs/dbraw/zinc/82/50/22/535825022.db2.gz KFOSFDDRUXXTOV-LLVKDONJSA-N 0 3 250.342 1.892 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c([O-])c1 ZINC000768441368 576283214 /nfs/dbraw/zinc/28/32/14/576283214.db2.gz GIDOHKIQXMNEDM-DGCLKSJQSA-N 0 3 292.379 1.877 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c([O-])c1 ZINC000768441368 576283218 /nfs/dbraw/zinc/28/32/18/576283218.db2.gz GIDOHKIQXMNEDM-DGCLKSJQSA-N 0 3 292.379 1.877 10 10 CDCEHN CC[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])C(=O)OC ZINC000895141949 619347003 /nfs/dbraw/zinc/34/70/03/619347003.db2.gz XSYYCLXIXWKOFH-NSHDSACASA-N 0 3 251.326 1.989 10 10 CDCEHN C[C@@H]1[C@H](C(=O)NCc2c([O-])cccc2F)CC[N@@H+]1C ZINC000900668879 623348337 /nfs/dbraw/zinc/34/83/37/623348337.db2.gz BWJHWNLMMGOWMU-NXEZZACHSA-N 0 3 266.316 1.488 10 10 CDCEHN C[C@@H]1[C@H](C(=O)NCc2c([O-])cccc2F)CC[N@H+]1C ZINC000900668879 623348340 /nfs/dbraw/zinc/34/83/40/623348340.db2.gz BWJHWNLMMGOWMU-NXEZZACHSA-N 0 3 266.316 1.488 10 10 CDCEHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000905741116 626955759 /nfs/dbraw/zinc/95/57/59/626955759.db2.gz CDICOTDQMXARLH-YGRLFVJLSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000905741116 626955762 /nfs/dbraw/zinc/95/57/62/626955762.db2.gz CDICOTDQMXARLH-YGRLFVJLSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000905741116 626955766 /nfs/dbraw/zinc/95/57/66/626955766.db2.gz CDICOTDQMXARLH-YGRLFVJLSA-N 0 3 279.336 1.429 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c([O-])c1 ZINC000090026589 678073922 /nfs/dbraw/zinc/07/39/22/678073922.db2.gz FZYACEFJGMJLIA-PWSUYJOCSA-N 0 3 276.336 1.499 10 10 CDCEHN CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000252804937 678111149 /nfs/dbraw/zinc/11/11/49/678111149.db2.gz DVUMCWAOLDZKEK-YPMHNXCESA-N 0 3 282.359 1.903 10 10 CDCEHN CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1ccccc1[O-] ZINC000702536027 678195141 /nfs/dbraw/zinc/19/51/41/678195141.db2.gz FPAFVWMYAUPKFB-OCCSQVGLSA-N 0 3 253.342 1.830 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927128715 677724677 /nfs/dbraw/zinc/72/46/77/677724677.db2.gz DQFNTWMDCYCNOF-QMTHXVAHSA-N 0 3 261.325 1.510 10 10 CDCEHN CCON(CC)C(=O)CNCc1cc(C)c(C)cc1O ZINC000858219982 678799695 /nfs/dbraw/zinc/79/96/95/678799695.db2.gz HDFPEPAHALRTDI-UHFFFAOYSA-N 0 3 280.368 1.899 10 10 CDCEHN C[NH+]1CCC2(CC1)CN(C(=O)c1cc([O-])cs1)CCO2 ZINC000844153950 678963664 /nfs/dbraw/zinc/96/36/64/678963664.db2.gz PPJURYBAFCUIDU-UHFFFAOYSA-N 0 3 296.392 1.391 10 10 CDCEHN CCOc1ccc(N(C)C[C@@H]2CNCCO2)cc1 ZINC000258984197 678983292 /nfs/dbraw/zinc/98/32/92/678983292.db2.gz UZCPGZVLCZWDHH-AWEZNQCLSA-N 0 3 250.342 1.510 10 10 CDCEHN COc1ccc(N2CCN(CC(C)(C)O)CC2)cc1F ZINC000084866145 1158652272 /nfs/dbraw/zinc/65/22/72/1158652272.db2.gz XWRRSEJOUPROOH-UHFFFAOYSA-N 0 3 282.359 1.727 10 10 CDCEHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000135215820 1175821950 /nfs/dbraw/zinc/82/19/50/1175821950.db2.gz UYKMURRTGMSKHS-CMPLNLGQSA-N 0 3 251.326 1.915 10 10 CDCEHN CC(C)N1CCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001350315085 966631444 /nfs/dbraw/zinc/63/14/44/966631444.db2.gz KIIJCWUMDVFDGC-LBPRGKRZSA-N 0 3 278.352 1.587 10 10 CDCEHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H](O)C(F)F ZINC000294992847 199288846 /nfs/dbraw/zinc/28/88/46/199288846.db2.gz HSGQUSDIJOKQOS-ZYHUDNBSSA-N 0 3 275.295 1.895 10 10 CDCEHN COCCN1CCN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180100031 357243586 /nfs/dbraw/zinc/24/35/86/357243586.db2.gz OZDOYLRZCVGBOV-LBPRGKRZSA-N 0 3 282.359 1.684 10 10 CDCEHN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-] ZINC000575409264 364758035 /nfs/dbraw/zinc/75/80/35/364758035.db2.gz RKWYAVLRARRMAW-QMMMGPOBSA-O 0 3 274.366 1.512 10 10 CDCEHN COc1ccc([C@@H](C)[NH2+]C[C@H]2COCCO2)c([O-])c1 ZINC000038060653 174071795 /nfs/dbraw/zinc/07/17/95/174071795.db2.gz AUOLSJINCWOEGE-PWSUYJOCSA-N 0 3 267.325 1.467 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000271858399 328198374 /nfs/dbraw/zinc/19/83/74/328198374.db2.gz JRYAHQKBQCUMBM-NSHDSACASA-N 0 3 268.744 1.674 10 10 CDCEHN CN(C)c1ccc(CN2CC[C@@]3(CNC(=O)C3)C2)cc1F ZINC000279450681 522179621 /nfs/dbraw/zinc/17/96/21/522179621.db2.gz QDWHLZPFKARZTK-MRXNPFEDSA-N 0 3 291.370 1.604 10 10 CDCEHN CC[C@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000096478637 523508367 /nfs/dbraw/zinc/50/83/67/523508367.db2.gz MZHBLGAOIRGWMU-ZDUSSCGKSA-N 0 3 253.298 1.372 10 10 CDCEHN COc1ccc(N2CCN(C[C@@H](O)C(C)C)CC2)cc1F ZINC000292678963 524427148 /nfs/dbraw/zinc/42/71/48/524427148.db2.gz QYGZJSZWGXFAQZ-OAHLLOKOSA-N 0 3 296.386 1.973 10 10 CDCEHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C)C1 ZINC000725846927 574443996 /nfs/dbraw/zinc/44/39/96/574443996.db2.gz YFPAZSRLOWYHSG-LLVKDONJSA-N 0 3 250.342 1.585 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c([O-])c1 ZINC000768441363 576283148 /nfs/dbraw/zinc/28/31/48/576283148.db2.gz GIDOHKIQXMNEDM-AAEUAGOBSA-N 0 3 292.379 1.877 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c([O-])c1 ZINC000768441363 576283152 /nfs/dbraw/zinc/28/31/52/576283152.db2.gz GIDOHKIQXMNEDM-AAEUAGOBSA-N 0 3 292.379 1.877 10 10 CDCEHN Cc1cc(O)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C ZINC000844741779 679751422 /nfs/dbraw/zinc/75/14/22/679751422.db2.gz NWXOATNXEBSYCC-LXIYXOSZSA-N 0 3 265.378 1.714 10 10 CDCEHN Cc1cc(Cl)cc(C[NH+](CCO)CCO)c1[O-] ZINC000862430233 681807136 /nfs/dbraw/zinc/80/71/36/681807136.db2.gz RFTAMOYQALTIMY-UHFFFAOYSA-N 0 3 259.733 1.141 10 10 CDCEHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388332 681982176 /nfs/dbraw/zinc/98/21/76/681982176.db2.gz LGDVCXBYNUCVOJ-ZIAGYGMSSA-N 0 3 263.337 1.794 10 10 CDCEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090023660 683202356 /nfs/dbraw/zinc/20/23/56/683202356.db2.gz WSRKYCMTOAZWEA-RISCZKNCSA-N 0 3 289.379 1.551 10 10 CDCEHN C[C@H]1CN(CCO)CCN1Cc1cc(Cl)ccc1O ZINC000825338617 683677552 /nfs/dbraw/zinc/67/75/52/683677552.db2.gz RCHWAEXYEYSGHE-NSHDSACASA-N 0 3 284.787 1.544 10 10 CDCEHN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCN(C)C1 ZINC001566161591 1168247406 /nfs/dbraw/zinc/24/74/06/1168247406.db2.gz KTUBQYXRNHTUKZ-LBPRGKRZSA-N 0 3 278.352 1.193 10 10 CDCEHN CCN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(C)C1 ZINC000693449243 896121788 /nfs/dbraw/zinc/12/17/88/896121788.db2.gz ZZFDOOREFAKJHP-SNVBAGLBSA-N 0 3 264.325 1.264 10 10 CDCEHN C[C@H](NCc1c[nH]nn1)c1ccc(N2CCOCC2)cc1 ZINC001168800868 927456191 /nfs/dbraw/zinc/45/61/91/927456191.db2.gz HNOYBIHHOSPXOL-LBPRGKRZSA-N 0 3 287.367 1.492 10 10 CDCEHN Fc1cc(OC[C@@H]2CCCO2)ccc1N1CCNCC1 ZINC000087439256 345703851 /nfs/dbraw/zinc/70/38/51/345703851.db2.gz YJLZSBXKDGCSFJ-ZDUSSCGKSA-N 0 3 280.343 1.793 10 10 CDCEHN COc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1[O-] ZINC000227440211 359822057 /nfs/dbraw/zinc/82/20/57/359822057.db2.gz YBRZBYILDSSLGP-LBPRGKRZSA-N 0 3 250.342 1.585 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(F)ccc1[O-] ZINC000094618490 360230915 /nfs/dbraw/zinc/23/09/15/360230915.db2.gz DVPOALDFROMBEJ-JQWIXIFHSA-N 0 3 268.332 1.513 10 10 CDCEHN CC[C@@H](O)CN1CCN(Cc2cccc(OC)c2O)CC1 ZINC000123572165 360297609 /nfs/dbraw/zinc/29/76/09/360297609.db2.gz LPWKNCWGMJGGBS-CQSZACIVSA-N 0 3 294.395 1.289 10 10 CDCEHN NCC[C@H]([NH3+])c1ccc(F)c(Br)c1[O-] ZINC000306959100 364639595 /nfs/dbraw/zinc/63/95/95/364639595.db2.gz XADUAZDOVPETLE-ZETCQYMHSA-N 0 3 263.110 1.642 10 10 CDCEHN COCCN1CCN(Cc2cccc(OC)c2O)C[C@H]1C ZINC000120831321 390876373 /nfs/dbraw/zinc/87/63/73/390876373.db2.gz FXNICNVDNNOGIE-CYBMUJFWSA-N 0 3 294.395 1.553 10 10 CDCEHN C[C@@H]([NH2+]CCN1CCCC1)c1ccc(O)cc1[O-] ZINC000020126855 171012326 /nfs/dbraw/zinc/01/23/26/171012326.db2.gz XSZHLPHYDRDMPP-LLVKDONJSA-N 0 3 250.342 1.844 10 10 CDCEHN CC1(CNCc2ccc3c(c2)CCO3)OCCCO1 ZINC000192250299 262200907 /nfs/dbraw/zinc/20/09/07/262200907.db2.gz NTRARYMDGURNBJ-UHFFFAOYSA-N 0 3 263.337 1.864 10 10 CDCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279457186 524744327 /nfs/dbraw/zinc/74/43/27/524744327.db2.gz QPRMIMYWBNZSFS-OAHLLOKOSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279457186 524744333 /nfs/dbraw/zinc/74/43/33/524744333.db2.gz QPRMIMYWBNZSFS-OAHLLOKOSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1cc(C)cc(CN2CCN(CCO)C[C@@H]2C)c1O ZINC000894956232 619158907 /nfs/dbraw/zinc/15/89/07/619158907.db2.gz JMCFSUHZYIIKMG-ZDUSSCGKSA-N 0 3 294.395 1.208 10 10 CDCEHN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1N=NC(=O)N1C ZINC000895172079 619409267 /nfs/dbraw/zinc/40/92/67/619409267.db2.gz RCKUYASQDMYUTF-LURJTMIESA-N 0 3 284.266 1.355 10 10 CDCEHN C[C@@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000903964743 626171488 /nfs/dbraw/zinc/17/14/88/626171488.db2.gz PGYDVLLDGRCYQL-SCZZXKLOSA-N 0 3 299.758 1.899 10 10 CDCEHN CCN1C[C@@H](CN(C)Cc2ccccc2O)OC1=O ZINC000846824035 686578233 /nfs/dbraw/zinc/57/82/33/686578233.db2.gz GHIHDVMIFAFFMZ-GFCCVEGCSA-N 0 3 264.325 1.665 10 10 CDCEHN CCOc1ccc(C[NH2+]CC[C@@H](COC)OC)c([O-])c1 ZINC000850345425 685937716 /nfs/dbraw/zinc/93/77/16/685937716.db2.gz ZYMALHSILVXEFG-AWEZNQCLSA-N 0 3 283.368 1.932 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929974853 684323396 /nfs/dbraw/zinc/32/33/96/684323396.db2.gz CAENOJFEBPKULY-IPYPFGDCSA-N 0 3 263.337 1.628 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929974853 684323400 /nfs/dbraw/zinc/32/34/00/684323400.db2.gz CAENOJFEBPKULY-IPYPFGDCSA-N 0 3 263.337 1.628 10 10 CDCEHN Nc1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000841298778 684605651 /nfs/dbraw/zinc/60/56/51/684605651.db2.gz GGCPSGCTMZTPHJ-AWEZNQCLSA-N 0 3 292.383 1.237 10 10 CDCEHN C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129902 684750704 /nfs/dbraw/zinc/75/07/04/684750704.db2.gz HOJYHHHEYZDWTA-ZWNOBZJWSA-N 0 3 269.316 1.503 10 10 CDCEHN C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129902 684750706 /nfs/dbraw/zinc/75/07/06/684750706.db2.gz HOJYHHHEYZDWTA-ZWNOBZJWSA-N 0 3 269.316 1.503 10 10 CDCEHN CCCN1CCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794388944 684800042 /nfs/dbraw/zinc/80/00/42/684800042.db2.gz CJTNRFDAXVAQML-AWEZNQCLSA-N 0 3 292.379 1.891 10 10 CDCEHN COc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC000925338056 685736741 /nfs/dbraw/zinc/73/67/41/685736741.db2.gz KRCSCJTZQVZSTN-MFKMUULPSA-N 0 3 293.367 1.293 10 10 CDCEHN CCCN1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000778923533 685856300 /nfs/dbraw/zinc/85/63/00/685856300.db2.gz OOJMNMJGRUQKKD-LBPRGKRZSA-N 0 3 278.352 1.588 10 10 CDCEHN Cc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c(O)c1O ZINC000816955260 685896776 /nfs/dbraw/zinc/89/67/76/685896776.db2.gz YCAQQIQYICNPLG-JQWIXIFHSA-N 0 3 276.336 1.182 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC000847590799 686570404 /nfs/dbraw/zinc/57/04/04/686570404.db2.gz HTWVAEDBXLLGON-VXGBXAGGSA-N 0 3 292.379 1.920 10 10 CDCEHN COC[C@@H](CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055321 687269478 /nfs/dbraw/zinc/26/94/78/687269478.db2.gz YCANZOGXJNVQDK-ISZGNANSSA-N 0 3 264.369 1.363 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C1CN(c3ccncn3)C1)CC2 ZINC000866495985 687597297 /nfs/dbraw/zinc/59/72/97/687597297.db2.gz KZEODCULGNPCFF-CYBMUJFWSA-N 0 3 282.347 1.648 10 10 CDCEHN Cc1nnc(CC[NH2+]Cc2cccc(F)c2[O-])[nH]1 ZINC000392380675 1187279185 /nfs/dbraw/zinc/27/91/85/1187279185.db2.gz RRHCYBOGVYMBLU-UHFFFAOYSA-N 0 3 250.277 1.290 10 10 CDCEHN COC(=O)[C@@]1(OC)CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000859556732 929029243 /nfs/dbraw/zinc/02/92/43/929029243.db2.gz OEPIOXDZRYZLSS-MRXNPFEDSA-N 0 3 292.379 1.517 10 10 CDCEHN Oc1cc2c(cc1CN1CCN3CCCC[C@@H]3C1)OCO2 ZINC000156080944 361715076 /nfs/dbraw/zinc/71/50/76/361715076.db2.gz IOOGJUMETYPTGP-CYBMUJFWSA-N 0 3 290.363 1.791 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282265106 364023654 /nfs/dbraw/zinc/02/36/54/364023654.db2.gz KDDBXLZUAGGBSV-KWBADKCTSA-N 0 3 278.352 1.719 10 10 CDCEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000282459066 364108222 /nfs/dbraw/zinc/10/82/22/364108222.db2.gz SZMKBCWDAFCEHZ-ZWNOBZJWSA-N 0 3 260.337 1.378 10 10 CDCEHN C[C@H]([NH2+]CCn1cncn1)c1cc(F)ccc1[O-] ZINC000273408883 371162497 /nfs/dbraw/zinc/16/24/97/371162497.db2.gz PBKLWBCSEAVOFG-VIFPVBQESA-N 0 3 250.277 1.474 10 10 CDCEHN O=C1CCCN1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296033822 378713565 /nfs/dbraw/zinc/71/35/65/378713565.db2.gz QGSJXZOIRDRWIY-ZDUSSCGKSA-N 0 3 274.364 1.982 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(N(C)C)cc2)CC1=O ZINC000374153764 391151822 /nfs/dbraw/zinc/15/18/22/391151822.db2.gz MXJMORMNWGPXCG-XNRPHZJLSA-N 0 3 287.407 1.852 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000527954363 393005593 /nfs/dbraw/zinc/00/55/93/393005593.db2.gz JGMACNKGPBAJQJ-VQISRLSMSA-N 0 3 281.352 1.591 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c([O-])c1 ZINC000527957269 393005897 /nfs/dbraw/zinc/00/58/97/393005897.db2.gz QWNSOPSXNWLWPO-GLQYFDAESA-N 0 3 265.353 1.891 10 10 CDCEHN CCN(C)C(=O)CN(Cc1ccc(N)cc1)C(C)C ZINC000035365426 172155451 /nfs/dbraw/zinc/15/54/51/172155451.db2.gz HLAONRPYXYUJRC-UHFFFAOYSA-N 0 3 263.385 1.958 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(O)cc1[O-] ZINC000038082700 174091667 /nfs/dbraw/zinc/09/16/67/174091667.db2.gz YRXVYXPSWPIRPI-ZJUUUORDSA-N 0 3 285.365 1.183 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(O)cc1[O-] ZINC000038082699 174092080 /nfs/dbraw/zinc/09/20/80/174092080.db2.gz YRXVYXPSWPIRPI-UWVGGRQHSA-N 0 3 285.365 1.183 10 10 CDCEHN COc1cc(Br)cc([C@H]([NH3+])CO)c1[O-] ZINC000072199332 176340366 /nfs/dbraw/zinc/34/03/66/176340366.db2.gz DNSGEYWSPXGRGL-SSDOTTSWSA-N 0 3 262.103 1.155 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]CCc2nnnn2C)c([O-])c1 ZINC000756678213 576999698 /nfs/dbraw/zinc/99/96/98/576999698.db2.gz VDJUVHXHLGUAGO-SNVBAGLBSA-N 0 3 261.329 1.117 10 10 CDCEHN C[C@H]1C[N@H+](CCO)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894957520 619159972 /nfs/dbraw/zinc/15/99/72/619159972.db2.gz MFANMZLLKQEEMZ-JTQLQIEISA-N 0 3 286.322 1.169 10 10 CDCEHN C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894957520 619159975 /nfs/dbraw/zinc/15/99/75/619159975.db2.gz MFANMZLLKQEEMZ-JTQLQIEISA-N 0 3 286.322 1.169 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(F)ccc1[O-] ZINC000927146498 621865926 /nfs/dbraw/zinc/86/59/26/621865926.db2.gz OLBVTDZYLPXSEY-KOLCDFICSA-N 0 3 290.342 1.868 10 10 CDCEHN CN(C)c1ccc(C=CCNCc2c[nH]nn2)cc1 ZINC000858197161 695100991 /nfs/dbraw/zinc/10/09/91/695100991.db2.gz FAFGPWMWKFAQJP-ARJAWSKDSA-N 0 3 257.341 1.674 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845531 688482836 /nfs/dbraw/zinc/48/28/36/688482836.db2.gz KCFDLXIQVBPPPO-LBPRGKRZSA-N 0 3 258.325 1.506 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845531 688482846 /nfs/dbraw/zinc/48/28/46/688482846.db2.gz KCFDLXIQVBPPPO-LBPRGKRZSA-N 0 3 258.325 1.506 10 10 CDCEHN Cn1nccc1[C@@H](CO)N[C@@H]1CCc2cccc(O)c21 ZINC000858435429 688757748 /nfs/dbraw/zinc/75/77/48/688757748.db2.gz IBLYVZLBOBZUCN-VXGBXAGGSA-N 0 3 273.336 1.436 10 10 CDCEHN O=C1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C1CCC1 ZINC000708694907 688827260 /nfs/dbraw/zinc/82/72/60/688827260.db2.gz DPGNRSVJLADDKV-ZDUSSCGKSA-N 0 3 278.327 1.774 10 10 CDCEHN CO[C@](C)(CO)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000848922466 688840070 /nfs/dbraw/zinc/84/00/70/688840070.db2.gz TWUDUZNOABBVJW-ZDUSSCGKSA-N 0 3 273.760 1.841 10 10 CDCEHN CN1C[C@@H](CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000723538410 688845454 /nfs/dbraw/zinc/84/54/54/688845454.db2.gz CKSSMBHLQSXBOJ-AAEUAGOBSA-N 0 3 274.364 1.838 10 10 CDCEHN CCc1cccc(CNC2(C(=O)N(C)C)CC2)c1O ZINC000848916608 692342725 /nfs/dbraw/zinc/34/27/25/692342725.db2.gz KQMORJOABTYMOT-UHFFFAOYSA-N 0 3 262.353 1.665 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1[O-] ZINC000700143022 692449274 /nfs/dbraw/zinc/44/92/74/692449274.db2.gz NSEFDZAIEGOIPA-NWDGAFQWSA-N 0 3 250.342 1.373 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000850343481 692784350 /nfs/dbraw/zinc/78/43/50/692784350.db2.gz UBTMDXVRTZIBQI-NHYWBVRUSA-N 0 3 281.352 1.542 10 10 CDCEHN CCOc1ccc(CN(C)CCN(C)C(=O)OC)c(O)c1 ZINC000827335777 693431119 /nfs/dbraw/zinc/43/11/19/693431119.db2.gz YOFDRFNFWZXJBB-UHFFFAOYSA-N 0 3 296.367 1.921 10 10 CDCEHN CCOc1ccc(C[N@H+](C)CCN(C)C(=O)OC)c([O-])c1 ZINC000827335777 693431125 /nfs/dbraw/zinc/43/11/25/693431125.db2.gz YOFDRFNFWZXJBB-UHFFFAOYSA-N 0 3 296.367 1.921 10 10 CDCEHN CCOc1ccc(C[N@@H+](C)CCN(C)C(=O)OC)c([O-])c1 ZINC000827335777 693431130 /nfs/dbraw/zinc/43/11/30/693431130.db2.gz YOFDRFNFWZXJBB-UHFFFAOYSA-N 0 3 296.367 1.921 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@H]2CCNC2=O)cc1 ZINC000850344077 694804047 /nfs/dbraw/zinc/80/40/47/694804047.db2.gz WHKVFZPCEHHNFT-NQHOJNORSA-N 0 3 259.353 1.244 10 10 CDCEHN CCOCc1cc(CNC[C@H](O)[C@@H](C)O)ccc1OC ZINC000865742366 694864878 /nfs/dbraw/zinc/86/48/78/694864878.db2.gz YZBUMTWFQDFFFB-RISCZKNCSA-N 0 3 283.368 1.063 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CCSC[C@H]1CCO ZINC000779027790 694890527 /nfs/dbraw/zinc/89/05/27/694890527.db2.gz CLJLAXNOQLXOSB-GFCCVEGCSA-N 0 3 253.367 1.692 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000779027790 694890528 /nfs/dbraw/zinc/89/05/28/694890528.db2.gz CLJLAXNOQLXOSB-GFCCVEGCSA-N 0 3 253.367 1.692 10 10 CDCEHN CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)NC ZINC000835055352 723680692 /nfs/dbraw/zinc/68/06/92/723680692.db2.gz VCOTYDJEJQEPCM-IDTUSYRASA-N 0 3 275.396 1.880 10 10 CDCEHN C[C@H](N[C@@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434973 723072249 /nfs/dbraw/zinc/07/22/49/723072249.db2.gz VIYMDBKXWLKXPT-JQWIXIFHSA-N 0 3 261.325 1.510 10 10 CDCEHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000778923528 723314053 /nfs/dbraw/zinc/31/40/53/723314053.db2.gz OOJMNMJGRUQKKD-GFCCVEGCSA-N 0 3 278.352 1.588 10 10 CDCEHN CCN1C[C@@H](NC/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835055718 723628637 /nfs/dbraw/zinc/62/86/37/723628637.db2.gz YCMNIRKIQUGLQR-YVACAVLKSA-N 0 3 287.407 1.976 10 10 CDCEHN CCOc1ccc(N2CCN([C@H](C)[C@H](C)O)CC2)cc1 ZINC001168331526 909075527 /nfs/dbraw/zinc/07/55/27/909075527.db2.gz JQHXZNQNNWJGCX-KGLIPLIRSA-N 0 3 278.396 1.977 10 10 CDCEHN C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CS1(=O)=O ZINC000827164025 936497023 /nfs/dbraw/zinc/49/70/23/936497023.db2.gz BIDFSWQXEFHZBP-JOYOIKCWSA-N 0 3 287.356 1.587 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1[O-] ZINC000700143024 922177999 /nfs/dbraw/zinc/17/79/99/922177999.db2.gz NSEFDZAIEGOIPA-VXGBXAGGSA-N 0 3 250.342 1.373 10 10 CDCEHN COc1ccc(N2CCN(C[C@@H](O)C3CC3)CC2)cc1F ZINC000838869262 936892422 /nfs/dbraw/zinc/89/24/22/936892422.db2.gz YRJMSZHDPBOUQT-OAHLLOKOSA-N 0 3 294.370 1.727 10 10 CDCEHN COC[C@@]1(C)CN(Cc2cc(C)ccc2O)CCO1 ZINC000862551634 929425820 /nfs/dbraw/zinc/42/58/20/929425820.db2.gz PBGOBCCWMQFCTO-OAHLLOKOSA-N 0 3 265.353 1.938 10 10 CDCEHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](C)O1 ZINC001261655551 946217298 /nfs/dbraw/zinc/21/72/98/946217298.db2.gz ZURIXIFGLJSQQT-JRPNMDOOSA-N 0 3 293.363 1.817 10 10 CDCEHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](C)O1 ZINC001261655551 946217309 /nfs/dbraw/zinc/21/73/09/946217309.db2.gz ZURIXIFGLJSQQT-JRPNMDOOSA-N 0 3 293.363 1.817 10 10 CDCEHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000812298226 1163615281 /nfs/dbraw/zinc/61/52/81/1163615281.db2.gz JBSCOWVQNHZYHO-FZMZJTMJSA-N 0 3 279.336 1.429 10 10 CDCEHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000812298226 1163615286 /nfs/dbraw/zinc/61/52/86/1163615286.db2.gz JBSCOWVQNHZYHO-FZMZJTMJSA-N 0 3 279.336 1.429 10 10 CDCEHN COc1cccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1O ZINC000245722012 361912891 /nfs/dbraw/zinc/91/28/91/361912891.db2.gz IALOJDNZRUGJCE-OLZOCXBDSA-N 0 3 294.395 1.288 10 10 CDCEHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185725582 357570681 /nfs/dbraw/zinc/57/06/81/357570681.db2.gz JNNZWEVOOMIDHN-YPMHNXCESA-N 0 3 292.379 1.900 10 10 CDCEHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185725582 357570683 /nfs/dbraw/zinc/57/06/83/357570683.db2.gz JNNZWEVOOMIDHN-YPMHNXCESA-N 0 3 292.379 1.900 10 10 CDCEHN N=C(N)Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC000575432128 364906775 /nfs/dbraw/zinc/90/67/75/364906775.db2.gz DMWLCBSJFMTCMX-UHFFFAOYSA-N 0 3 270.292 1.793 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180214833 261847382 /nfs/dbraw/zinc/84/73/82/261847382.db2.gz YJTDPRVQSMBEAG-AWEZNQCLSA-N 0 3 282.359 1.420 10 10 CDCEHN CC[C@@](C)(O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000119395591 262161999 /nfs/dbraw/zinc/16/19/99/262161999.db2.gz DZHXAFHEKIYHFD-MRXNPFEDSA-N 0 3 278.396 1.978 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296421024 278047006 /nfs/dbraw/zinc/04/70/06/278047006.db2.gz LLKXCTHFNOCFOQ-MVWJERBFSA-N 0 3 260.337 1.636 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000361390030 328922816 /nfs/dbraw/zinc/92/28/16/328922816.db2.gz LPAFFELXPULSGI-KGYLQXTDSA-N 0 3 260.337 1.491 10 10 CDCEHN CC(=O)NC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000263713397 519645984 /nfs/dbraw/zinc/64/59/84/519645984.db2.gz UUDZLCGGTGUINE-UHFFFAOYSA-N 0 3 262.353 1.929 10 10 CDCEHN CNCc1cc(F)c(N(C)CC(=O)N(C)C)c(F)c1 ZINC000062710578 522111604 /nfs/dbraw/zinc/11/16/04/522111604.db2.gz GWVZFDUJCZJRKH-UHFFFAOYSA-N 0 3 271.311 1.209 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@@H]2CCCOC2)cc1OC ZINC000289994273 522782327 /nfs/dbraw/zinc/78/23/27/522782327.db2.gz CLLDRMVUNPRYRG-LLVKDONJSA-N 0 3 267.325 1.678 10 10 CDCEHN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1N=NC(=O)N1C ZINC000895172080 619409144 /nfs/dbraw/zinc/40/91/44/619409144.db2.gz RCKUYASQDMYUTF-ZCFIWIBFSA-N 0 3 284.266 1.355 10 10 CDCEHN C[NH+]1CCC(NC(=S)NCc2c([O-])cccc2F)CC1 ZINC000905662153 626905806 /nfs/dbraw/zinc/90/58/06/626905806.db2.gz UAEVTGFSNLPTBP-UHFFFAOYSA-N 0 3 297.399 1.590 10 10 CDCEHN COc1ccc(C[NH2+][C@H]2COCC2(C)C)c([O-])c1 ZINC000313015226 695883877 /nfs/dbraw/zinc/88/38/77/695883877.db2.gz FJZKRRHGROWGNH-ZDUSSCGKSA-N 0 3 251.326 1.915 10 10 CDCEHN C[C@@H](N[C@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434975 695198823 /nfs/dbraw/zinc/19/88/23/695198823.db2.gz VIYMDBKXWLKXPT-ZYHUDNBSSA-N 0 3 261.325 1.510 10 10 CDCEHN C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000183564168 695460495 /nfs/dbraw/zinc/46/04/95/695460495.db2.gz SRKMSWFBHRVSSL-DOMZBBRYSA-N 0 3 265.353 1.832 10 10 CDCEHN CCCN(CCN(C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001628694000 1166091038 /nfs/dbraw/zinc/09/10/38/1166091038.db2.gz ABRIWHHSUQZGJT-UHFFFAOYSA-N 0 3 280.368 1.441 10 10 CDCEHN C[C@@H](C(=O)NCc1cc(O)ccc1O)N1CCCCCC1 ZINC001644752638 1167344696 /nfs/dbraw/zinc/34/46/96/1167344696.db2.gz NJEHRZPUCGERQU-LBPRGKRZSA-N 0 3 292.379 1.979 10 10 CDCEHN CCOc1cccc(CNC2(C(=O)N(C)C)CC2)c1O ZINC000840959162 724413342 /nfs/dbraw/zinc/41/33/42/724413342.db2.gz VEDQIGGGAYKJDF-UHFFFAOYSA-N 0 3 278.352 1.501 10 10 CDCEHN C[NH2+]C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000843351066 724432574 /nfs/dbraw/zinc/43/25/74/724432574.db2.gz CZMBFMYCNZBPMA-UHFFFAOYSA-N 0 3 280.343 1.918 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCCN1CCO ZINC000824583201 723695869 /nfs/dbraw/zinc/69/58/69/723695869.db2.gz JITVINGLTRRLRQ-CYBMUJFWSA-N 0 3 294.395 1.337 10 10 CDCEHN CCO[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000844904138 723742898 /nfs/dbraw/zinc/74/28/98/723742898.db2.gz ZVQAIVKHDKRKPI-DGCLKSJQSA-N 0 3 268.332 1.327 10 10 CDCEHN Cc1cc(C)c(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000164340008 724357563 /nfs/dbraw/zinc/35/75/63/724357563.db2.gz GUACPGMSESAUSM-CYBMUJFWSA-N 0 3 298.408 1.133 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000862483903 724445790 /nfs/dbraw/zinc/44/57/90/724445790.db2.gz WXSOELBBYIQSCV-JLIMDTESSA-N 0 3 268.744 1.708 10 10 CDCEHN C[C@H]([NH2+]CCCn1ccnn1)c1cc(F)ccc1[O-] ZINC000126597765 725646100 /nfs/dbraw/zinc/64/61/00/725646100.db2.gz UKUAHSSPWBAMRX-JTQLQIEISA-N 0 3 264.304 1.864 10 10 CDCEHN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090026870 724721043 /nfs/dbraw/zinc/72/10/43/724721043.db2.gz OJBKGAIARZVLDE-RYUDHWBXSA-N 0 3 276.336 1.580 10 10 CDCEHN C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642127 723815362 /nfs/dbraw/zinc/81/53/62/723815362.db2.gz JHVCNWKLHWLFHX-RYUDHWBXSA-N 0 3 296.392 1.389 10 10 CDCEHN C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642127 723815363 /nfs/dbraw/zinc/81/53/63/723815363.db2.gz JHVCNWKLHWLFHX-RYUDHWBXSA-N 0 3 296.392 1.389 10 10 CDCEHN CCOc1ccc(C[N@H+](C)CC2CN(C)C2)c([O-])c1 ZINC000827126147 725062676 /nfs/dbraw/zinc/06/26/76/725062676.db2.gz WSMUGGBQFMTDAZ-UHFFFAOYSA-N 0 3 264.369 1.784 10 10 CDCEHN CCOc1ccc(C[N@@H+](C)CC2CN(C)C2)c([O-])c1 ZINC000827126147 725062677 /nfs/dbraw/zinc/06/26/77/725062677.db2.gz WSMUGGBQFMTDAZ-UHFFFAOYSA-N 0 3 264.369 1.784 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H](CO)C1)OCO2 ZINC000312375816 725201529 /nfs/dbraw/zinc/20/15/29/725201529.db2.gz DCZRWDYUDACKQM-CMPLNLGQSA-N 0 3 279.336 1.762 10 10 CDCEHN COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000846052140 725258396 /nfs/dbraw/zinc/25/83/96/725258396.db2.gz BEZRTTRRZUJTDG-CHWSQXEVSA-N 0 3 285.771 1.936 10 10 CDCEHN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000846052140 725258400 /nfs/dbraw/zinc/25/84/00/725258400.db2.gz BEZRTTRRZUJTDG-CHWSQXEVSA-N 0 3 285.771 1.936 10 10 CDCEHN CCON(C)C(=O)CNCc1cc(C)ccc1O ZINC000846062725 725405337 /nfs/dbraw/zinc/40/53/37/725405337.db2.gz KGNKBMKJHTYCRB-UHFFFAOYSA-N 0 3 252.314 1.200 10 10 CDCEHN C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccccc1[O-] ZINC001560075026 960857712 /nfs/dbraw/zinc/85/77/12/960857712.db2.gz OTACYAMIVVSDGP-JTQLQIEISA-N 0 3 284.319 1.579 10 10 CDCEHN Cn1ccnc1C1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675077799 539085478 /nfs/dbraw/zinc/08/54/78/539085478.db2.gz IVPQOPTUXBNCKX-NSHDSACASA-N 0 3 278.356 1.382 10 10 CDCEHN C[C@H]([NH2+]CCCN1CCOC1=O)c1ccccc1[O-] ZINC000179874823 357228868 /nfs/dbraw/zinc/22/88/68/357228868.db2.gz YILNYFRESKHEFO-NSHDSACASA-N 0 3 264.325 1.885 10 10 CDCEHN C[C@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000277646479 371218334 /nfs/dbraw/zinc/21/83/34/371218334.db2.gz DIVDZHUXQMUANR-GXSJLCMTSA-N 0 3 265.309 1.636 10 10 CDCEHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CCc2ccccc21 ZINC000662367558 412931029 /nfs/dbraw/zinc/93/10/29/412931029.db2.gz KQFBUGRNHNXDFI-LBPRGKRZSA-N 0 3 282.347 1.690 10 10 CDCEHN CN1CC[C@@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000121015076 390878659 /nfs/dbraw/zinc/87/86/59/390878659.db2.gz HSKHUGUTMYYORV-LLVKDONJSA-N 0 3 252.333 1.915 10 10 CDCEHN CN1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000121015076 390878660 /nfs/dbraw/zinc/87/86/60/390878660.db2.gz HSKHUGUTMYYORV-LLVKDONJSA-N 0 3 252.333 1.915 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(N(C)C)cc2)CC1=O ZINC000374153765 391151449 /nfs/dbraw/zinc/15/14/49/391151449.db2.gz MXJMORMNWGPXCG-XPKDYRNWSA-N 0 3 287.407 1.852 10 10 CDCEHN CC[C@H]1CNCCN1c1ccc(OC)cc1OC ZINC000083383261 135017011 /nfs/dbraw/zinc/01/70/11/135017011.db2.gz KFOSFDDRUXXTOV-NSHDSACASA-N 0 3 250.342 1.892 10 10 CDCEHN CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000020125251 171008472 /nfs/dbraw/zinc/00/84/72/171008472.db2.gz RBRVMNQANLBDJE-JTQLQIEISA-N 0 3 266.341 1.521 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2nnnn2C)c1 ZINC000756676518 576999663 /nfs/dbraw/zinc/99/96/63/576999663.db2.gz MFSLJAXNNRRICD-JTQLQIEISA-N 0 3 261.329 1.117 10 10 CDCEHN Cc1cc([O-])c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000848926669 726202401 /nfs/dbraw/zinc/20/24/01/726202401.db2.gz VQKWXAOUTRINGU-NWDGAFQWSA-N 0 3 296.798 1.605 10 10 CDCEHN Cc1cc([O-])c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000848926669 726202404 /nfs/dbraw/zinc/20/24/04/726202404.db2.gz VQKWXAOUTRINGU-NWDGAFQWSA-N 0 3 296.798 1.605 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824654997 726252065 /nfs/dbraw/zinc/25/20/65/726252065.db2.gz SVCOQMYYPGTHIO-KCPJHIHWSA-N 0 3 295.354 1.893 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824654997 726252069 /nfs/dbraw/zinc/25/20/69/726252069.db2.gz SVCOQMYYPGTHIO-KCPJHIHWSA-N 0 3 295.354 1.893 10 10 CDCEHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000825129809 726268804 /nfs/dbraw/zinc/26/88/04/726268804.db2.gz FTSLRHRJYUAICA-WFASDCNBSA-N 0 3 296.386 1.863 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000850545733 726878417 /nfs/dbraw/zinc/87/84/17/726878417.db2.gz DQGWYMJIBSMBAM-YWVKMMECSA-N 0 3 278.327 1.948 10 10 CDCEHN COc1ccc(N(C)C[C@@H]2CNCCO2)cc1F ZINC000258863651 726886385 /nfs/dbraw/zinc/88/63/85/726886385.db2.gz HHBHESFCZNDPIC-NSHDSACASA-N 0 3 254.305 1.259 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cc(F)ccc1[O-] ZINC000706772669 726951102 /nfs/dbraw/zinc/95/11/02/726951102.db2.gz AVJIAQPCSSBWSX-LJUAHTATSA-N 0 3 255.289 1.332 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H](C)NC2)c1 ZINC000863545926 726999550 /nfs/dbraw/zinc/99/95/50/726999550.db2.gz IYKHRYNBDLFZTJ-GMXVVIOVSA-N 0 3 292.379 1.970 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863545926 726999553 /nfs/dbraw/zinc/99/95/53/726999553.db2.gz IYKHRYNBDLFZTJ-GMXVVIOVSA-N 0 3 292.379 1.970 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000862550686 727143589 /nfs/dbraw/zinc/14/35/89/727143589.db2.gz GTKJYYFHOOUOHM-ZDUSSCGKSA-N 0 3 284.787 1.510 10 10 CDCEHN c1cc(N2CCOCC2)ccc1CNC1COCCOC1 ZINC000386555102 727357182 /nfs/dbraw/zinc/35/71/82/727357182.db2.gz FVZQUZXRRXNMIM-UHFFFAOYSA-N 0 3 292.379 1.028 10 10 CDCEHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c(O)c1O ZINC000780940286 727392284 /nfs/dbraw/zinc/39/22/84/727392284.db2.gz PDCNWHIUICZCDB-GFCCVEGCSA-N 0 3 290.363 1.715 10 10 CDCEHN CCOc1ccc(C[N@H+](C)CCCCO)c([O-])c1 ZINC000788270481 727469955 /nfs/dbraw/zinc/46/99/55/727469955.db2.gz YDYNVELBBGAHMV-UHFFFAOYSA-N 0 3 253.342 1.995 10 10 CDCEHN CCOc1ccc(C[N@@H+](C)CCCCO)c([O-])c1 ZINC000788270481 727469961 /nfs/dbraw/zinc/46/99/61/727469961.db2.gz YDYNVELBBGAHMV-UHFFFAOYSA-N 0 3 253.342 1.995 10 10 CDCEHN COC(OC)[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000079608554 727803728 /nfs/dbraw/zinc/80/37/28/727803728.db2.gz WHXKALVEWOYWNL-NSHDSACASA-N 0 3 252.358 1.850 10 10 CDCEHN C[C@@H]1CN(CCO)CCN1Cc1cc(F)ccc1O ZINC000825338600 727836986 /nfs/dbraw/zinc/83/69/86/727836986.db2.gz QWIHAPYKJZUDJI-LLVKDONJSA-N 0 3 268.332 1.030 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000835037987 727844324 /nfs/dbraw/zinc/84/43/24/727844324.db2.gz SMVUMPCHTXZNTC-ISZGNANSSA-N 0 3 273.380 1.586 10 10 CDCEHN OCCC1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839140322 727879230 /nfs/dbraw/zinc/87/92/30/727879230.db2.gz LQWQHTABKKOLGB-UHFFFAOYSA-N 0 3 276.380 1.337 10 10 CDCEHN C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642125 728256421 /nfs/dbraw/zinc/25/64/21/728256421.db2.gz JHVCNWKLHWLFHX-NWDGAFQWSA-N 0 3 296.392 1.389 10 10 CDCEHN C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642125 728256424 /nfs/dbraw/zinc/25/64/24/728256424.db2.gz JHVCNWKLHWLFHX-NWDGAFQWSA-N 0 3 296.392 1.389 10 10 CDCEHN COc1cccc([O-])c1C[N@H+](C)CC1(CO)CC1 ZINC000783732123 728369503 /nfs/dbraw/zinc/36/95/03/728369503.db2.gz BCZXWQNEJCMAQG-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+](C)CC1(CO)CC1 ZINC000783732123 728369504 /nfs/dbraw/zinc/36/95/04/728369504.db2.gz BCZXWQNEJCMAQG-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN COc1cccc(CN[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858342990 928843159 /nfs/dbraw/zinc/84/31/59/928843159.db2.gz RQISRNUNZMJKRT-ZDUSSCGKSA-N 0 3 290.363 1.644 10 10 CDCEHN CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC ZINC000697901698 937287448 /nfs/dbraw/zinc/28/74/48/937287448.db2.gz AJMVVYHZEAGNAB-BXUZGUMPSA-N 0 3 263.385 1.928 10 10 CDCEHN CCc1cccc(CN2CCO[C@@]3(CCOC3)C2)c1O ZINC000848903401 969343389 /nfs/dbraw/zinc/34/33/89/969343389.db2.gz RWUYJHUICXIPAC-INIZCTEOSA-N 0 3 277.364 1.946 10 10 CDCEHN Nc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000083514275 178543778 /nfs/dbraw/zinc/54/37/78/178543778.db2.gz LGVAKZPBIZKAFL-HNNXBMFYSA-N 0 3 269.348 1.455 10 10 CDCEHN COc1ccc(CNC[C@@H]2CN(C)CCO2)cc1C ZINC000065611120 363407704 /nfs/dbraw/zinc/40/77/04/363407704.db2.gz DOKHHOIAKVWQQU-CQSZACIVSA-N 0 3 264.369 1.424 10 10 CDCEHN NCC[C@@H]([NH3+])c1cc(F)cc(Br)c1[O-] ZINC000306789783 375125371 /nfs/dbraw/zinc/12/53/71/375125371.db2.gz XZZUJQFBYXPQBV-MRVPVSSYSA-N 0 3 263.110 1.642 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000184934621 262034290 /nfs/dbraw/zinc/03/42/90/262034290.db2.gz HHKGBOJIGSJMHJ-QWHCGFSZSA-N 0 3 294.395 1.772 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000271858395 328198445 /nfs/dbraw/zinc/19/84/45/328198445.db2.gz JRYAHQKBQCUMBM-LLVKDONJSA-N 0 3 268.744 1.674 10 10 CDCEHN CCN(CCO)c1ccc(CNCCOC)c(C)c1 ZINC000057901159 521123492 /nfs/dbraw/zinc/12/34/92/521123492.db2.gz BXLFKDTWBXARPU-UHFFFAOYSA-N 0 3 266.385 1.550 10 10 CDCEHN COC[C@H](O)C[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000071268445 522802000 /nfs/dbraw/zinc/80/20/00/522802000.db2.gz YKTLNTBDRDQYOI-GFCCVEGCSA-N 0 3 261.321 1.642 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@H]2C(=O)NCC2(C)C)cc1 ZINC000895323039 619557680 /nfs/dbraw/zinc/55/76/80/619557680.db2.gz XXWJBWRQQOMDEB-NFAHFFEMSA-N 0 3 287.407 1.880 10 10 CDCEHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000902925532 625638725 /nfs/dbraw/zinc/63/87/25/625638725.db2.gz MHYVQVVXZMFROH-DOMZBBRYSA-N 0 3 290.411 1.644 10 10 CDCEHN COc1ccc(N2CCN(C[C@@H](C)CO)CC2)cc1F ZINC000121188051 728762261 /nfs/dbraw/zinc/76/22/61/728762261.db2.gz MIOZVGKEIXVUKN-GFCCVEGCSA-N 0 3 282.359 1.585 10 10 CDCEHN COc1cccc(O)c1CNC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848578023 728906794 /nfs/dbraw/zinc/90/67/94/728906794.db2.gz MLRHOMYSEDMURJ-NSHDSACASA-N 0 3 292.335 1.474 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848578023 728906797 /nfs/dbraw/zinc/90/67/97/728906797.db2.gz MLRHOMYSEDMURJ-NSHDSACASA-N 0 3 292.335 1.474 10 10 CDCEHN COC[C@@H]1C[C@@H](O)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000846046757 728420333 /nfs/dbraw/zinc/42/03/33/728420333.db2.gz AIJQRYRHJGMNDL-PPPANMTLSA-N 0 3 290.407 1.847 10 10 CDCEHN CN(C)c1ccc(/C=C\CN(C)[C@@]2(CO)CCOC2)cc1 ZINC000862428239 728588545 /nfs/dbraw/zinc/58/85/45/728588545.db2.gz OFFWJNBXTLJXCU-VGOKWCNXSA-N 0 3 290.407 1.849 10 10 CDCEHN CCCN(C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862028085 729566129 /nfs/dbraw/zinc/56/61/29/729566129.db2.gz PFWVYOSAPUYVGK-UHFFFAOYSA-N 0 3 287.363 1.898 10 10 CDCEHN CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)N1 ZINC000856408602 729851426 /nfs/dbraw/zinc/85/14/26/729851426.db2.gz OXCHIDVRWJSOPI-VAFIWLDWSA-N 0 3 290.363 1.710 10 10 CDCEHN COC[C@H](CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055322 729942035 /nfs/dbraw/zinc/94/20/35/729942035.db2.gz YCANZOGXJNVQDK-NNTXTVRGSA-N 0 3 264.369 1.363 10 10 CDCEHN C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccccc1[O-] ZINC000825130421 729967218 /nfs/dbraw/zinc/96/72/18/729967218.db2.gz XVUUEMUDINOLRY-YPMHNXCESA-N 0 3 251.326 1.364 10 10 CDCEHN C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccccc1[O-] ZINC000825130421 729967223 /nfs/dbraw/zinc/96/72/23/729967223.db2.gz XVUUEMUDINOLRY-YPMHNXCESA-N 0 3 251.326 1.364 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CC3CC2(C[NH3+])C3)c1[O-] ZINC000852756766 730342585 /nfs/dbraw/zinc/34/25/85/730342585.db2.gz VGKBBSVHYVTUTQ-UHFFFAOYSA-N 0 3 278.327 1.657 10 10 CDCEHN COc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000862526472 730370950 /nfs/dbraw/zinc/37/09/50/730370950.db2.gz BLHWOUCCWNFFCW-XAAFQQQXSA-N 0 3 295.404 1.886 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000862526472 730370953 /nfs/dbraw/zinc/37/09/53/730370953.db2.gz BLHWOUCCWNFFCW-XAAFQQQXSA-N 0 3 295.404 1.886 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000862526472 730370956 /nfs/dbraw/zinc/37/09/56/730370956.db2.gz BLHWOUCCWNFFCW-XAAFQQQXSA-N 0 3 295.404 1.886 10 10 CDCEHN Cc1cc([O-])c(CN2CCO[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000843066609 937109773 /nfs/dbraw/zinc/10/97/73/937109773.db2.gz YVRPXBCNMDSCDL-JTQLQIEISA-N 0 3 270.760 1.514 10 10 CDCEHN CC[S@](=O)CCNCc1ccc(OC)c(C)c1 ZINC000134735564 930577747 /nfs/dbraw/zinc/57/77/47/930577747.db2.gz RDYYJISJSGZBPT-QGZVFWFLSA-N 0 3 255.383 1.862 10 10 CDCEHN C[C@@H]1C[NH+]=C(NCc2cc(Br)ccc2[O-])N1 ZINC000849027856 969414238 /nfs/dbraw/zinc/41/42/38/969414238.db2.gz LVPZJWLFFYFVPX-SSDOTTSWSA-N 0 3 284.157 1.592 10 10 CDCEHN Cc1cc(O)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1C ZINC000245748654 361914979 /nfs/dbraw/zinc/91/49/79/361914979.db2.gz NHSKMTACWLYMMY-GJZGRUSLSA-N 0 3 292.423 1.896 10 10 CDCEHN C[C@@H](O)CN1CCN(Cc2cc(F)ccc2O)C[C@H]1C ZINC000180099110 357243491 /nfs/dbraw/zinc/24/34/91/357243491.db2.gz OHHQHDFZFNTGLD-VXGBXAGGSA-N 0 3 282.359 1.418 10 10 CDCEHN COc1ccc(O)c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295126064 371134645 /nfs/dbraw/zinc/13/46/45/371134645.db2.gz NXCZYBABLZHIQG-ZBFHGGJFSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295126064 371134650 /nfs/dbraw/zinc/13/46/50/371134650.db2.gz NXCZYBABLZHIQG-ZBFHGGJFSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295126064 371134656 /nfs/dbraw/zinc/13/46/56/371134656.db2.gz NXCZYBABLZHIQG-ZBFHGGJFSA-N 0 3 292.379 1.306 10 10 CDCEHN CCC[C@H](C(=O)NCc1cccc(OC)c1O)N(C)C ZINC000131478891 390928050 /nfs/dbraw/zinc/92/80/50/390928050.db2.gz ZXYZAXRURVWXQJ-GFCCVEGCSA-N 0 3 280.368 1.747 10 10 CDCEHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183398419 391263723 /nfs/dbraw/zinc/26/37/23/391263723.db2.gz WSOSWGRGKGHDGK-STQMWFEESA-N 0 3 264.369 1.764 10 10 CDCEHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183618161 391266575 /nfs/dbraw/zinc/26/65/75/391266575.db2.gz PGADADAKCHQXEO-NEPJUHHUSA-N 0 3 277.368 1.847 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(C)=O)c1 ZINC000020148909 171037700 /nfs/dbraw/zinc/03/77/00/171037700.db2.gz TUIUMCVYIUHTMB-SECBINFHSA-N 0 3 252.314 1.188 10 10 CDCEHN CCN(Cc1ccc(N)cc1)[C@@H]1CCCCNC1=O ZINC000035361391 172152198 /nfs/dbraw/zinc/15/21/98/172152198.db2.gz YMBCAKQPVQIOII-CQSZACIVSA-N 0 3 261.369 1.759 10 10 CDCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000091666937 260266499 /nfs/dbraw/zinc/26/64/99/260266499.db2.gz UIVKBEVZJSXUTF-CHWSQXEVSA-N 0 3 264.369 1.682 10 10 CDCEHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527782981 330283153 /nfs/dbraw/zinc/28/31/53/330283153.db2.gz CYPVOFZJCSKNJE-KGLIPLIRSA-N 0 3 265.309 1.778 10 10 CDCEHN CCN1CCC([NH2+]Cc2ccc(OC)cc2[O-])CC1 ZINC000040906839 1159754654 /nfs/dbraw/zinc/75/46/54/1159754654.db2.gz AGTPPHLPWPXHDI-UHFFFAOYSA-N 0 3 264.369 1.975 10 10 CDCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000084059448 525361685 /nfs/dbraw/zinc/36/16/85/525361685.db2.gz KPIFAUIFQKEJAT-NEPJUHHUSA-N 0 3 262.353 1.972 10 10 CDCEHN Cc1cc([O-])c(CNC[C@H](O)C[NH+]2CCCC2)c(Cl)c1 ZINC000840884235 617528991 /nfs/dbraw/zinc/52/89/91/617528991.db2.gz KULGFHYQDHWICM-LBPRGKRZSA-N 0 3 298.814 1.900 10 10 CDCEHN O=C(/C=C\c1ccc(O)c(O)c1)NC12CCN(CC1)C2 ZINC000913631891 630716310 /nfs/dbraw/zinc/71/63/10/630716310.db2.gz HCUOEEHRKBUCSA-RQOWECAXSA-N 0 3 274.320 1.075 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724621299 730427378 /nfs/dbraw/zinc/42/73/78/730427378.db2.gz SQFONFLUGLOAIT-ASHKBJFXSA-N 0 3 263.337 1.847 10 10 CDCEHN CCN1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000182388931 730588562 /nfs/dbraw/zinc/58/85/62/730588562.db2.gz COLWLIUITRKVQC-NSHDSACASA-N 0 3 278.352 1.620 10 10 CDCEHN COC(=O)[C@]1(OC)CCN(Cc2cc(OC)ccc2O)C1 ZINC000862475185 731169573 /nfs/dbraw/zinc/16/95/73/731169573.db2.gz BXFCCCKZQMTIEZ-HNNXBMFYSA-N 0 3 295.335 1.165 10 10 CDCEHN COC1(OC)CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000710873075 731385452 /nfs/dbraw/zinc/38/54/52/731385452.db2.gz GQJWYOAVODMXKK-AWEZNQCLSA-N 0 3 263.337 1.863 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(C)=O ZINC000827937831 731989111 /nfs/dbraw/zinc/98/91/11/731989111.db2.gz DIXDXANFHMUIEK-OAHLLOKOSA-N 0 3 265.353 1.944 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(C)=O ZINC000827937831 731989113 /nfs/dbraw/zinc/98/91/13/731989113.db2.gz DIXDXANFHMUIEK-OAHLLOKOSA-N 0 3 265.353 1.944 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000094618042 732021651 /nfs/dbraw/zinc/02/16/51/732021651.db2.gz SAOLLOJTCPLYOU-LDYMZIIASA-N 0 3 252.289 1.461 10 10 CDCEHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000825129808 732094062 /nfs/dbraw/zinc/09/40/62/732094062.db2.gz FTSLRHRJYUAICA-SWLSCSKDSA-N 0 3 296.386 1.863 10 10 CDCEHN Cc1ccc(O)c([C@H](C)N[C@@H](CO)c2ccnn2C)c1 ZINC000858434728 732458427 /nfs/dbraw/zinc/45/84/27/732458427.db2.gz NUMPMAXEDCUZMY-AAEUAGOBSA-N 0 3 275.352 1.818 10 10 CDCEHN CCOc1ccc(C[NH2+][C@H](C(=O)NC)C(C)C)c([O-])c1 ZINC000785589695 732577750 /nfs/dbraw/zinc/57/77/50/732577750.db2.gz TZSZMTOACYFMPV-AWEZNQCLSA-N 0 3 280.368 1.651 10 10 CDCEHN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1O)N(C)C ZINC000827973693 732619457 /nfs/dbraw/zinc/61/94/57/732619457.db2.gz WTLPLAVKDLSMPN-JQWIXIFHSA-N 0 3 250.342 1.910 10 10 CDCEHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c([O-])c1 ZINC000846047066 733055875 /nfs/dbraw/zinc/05/58/75/733055875.db2.gz SAEJOUHLCHMWFN-PHIMTYICSA-N 0 3 264.325 1.144 10 10 CDCEHN CCCN1CCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001647270623 1168509249 /nfs/dbraw/zinc/50/92/49/1168509249.db2.gz VALZLNYPRZLUEB-LBPRGKRZSA-N 0 3 278.352 1.588 10 10 CDCEHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377338 936518325 /nfs/dbraw/zinc/51/83/25/936518325.db2.gz IXIXJQAUBHMJBY-AAEUAGOBSA-N 0 3 290.363 1.654 10 10 CDCEHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377338 936518327 /nfs/dbraw/zinc/51/83/27/936518327.db2.gz IXIXJQAUBHMJBY-AAEUAGOBSA-N 0 3 290.363 1.654 10 10 CDCEHN CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000856282205 928575943 /nfs/dbraw/zinc/57/59/43/928575943.db2.gz RDPVNRLGBOFVLT-UHFFFAOYSA-N 0 3 280.368 1.948 10 10 CDCEHN CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000856282205 928575947 /nfs/dbraw/zinc/57/59/47/928575947.db2.gz RDPVNRLGBOFVLT-UHFFFAOYSA-N 0 3 280.368 1.948 10 10 CDCEHN COCCN(Cc1cc(C)cc(OC)c1O)[C@@H]1CCOC1 ZINC000782962302 937263686 /nfs/dbraw/zinc/26/36/86/937263686.db2.gz NQGGIVXWISDUSJ-CQSZACIVSA-N 0 3 295.379 1.947 10 10 CDCEHN C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000825129806 931491367 /nfs/dbraw/zinc/49/13/67/931491367.db2.gz FTSLRHRJYUAICA-DOMZBBRYSA-N 0 3 296.386 1.863 10 10 CDCEHN CCN(C)c1ccc(CN2CCN(CCO)C[C@@H]2C)cc1 ZINC000832784207 936180650 /nfs/dbraw/zinc/18/06/50/936180650.db2.gz WDXIFBPHNAWUGR-HNNXBMFYSA-N 0 3 291.439 1.641 10 10 CDCEHN COc1ccc(O)c(CN[C@@H](C(N)=O)C(C)C)c1 ZINC000231035633 539072747 /nfs/dbraw/zinc/07/27/47/539072747.db2.gz KIDUKRCCPRKMBE-GFCCVEGCSA-N 0 3 252.314 1.000 10 10 CDCEHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000185883269 357588610 /nfs/dbraw/zinc/58/86/10/357588610.db2.gz ZNAVRCFDLKCMPA-GFCCVEGCSA-N 0 3 292.379 1.948 10 10 CDCEHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000185883269 357588615 /nfs/dbraw/zinc/58/86/15/357588615.db2.gz ZNAVRCFDLKCMPA-GFCCVEGCSA-N 0 3 292.379 1.948 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000192071218 358173694 /nfs/dbraw/zinc/17/36/94/358173694.db2.gz WSWXZSMHGKHZAJ-MFKMUULPSA-N 0 3 251.326 1.915 10 10 CDCEHN Oc1cc2c(cc1CN1C[C@@H](O)C3(CC3)C1)OCO2 ZINC000375286073 370803007 /nfs/dbraw/zinc/80/30/07/370803007.db2.gz HGPJJJOKSRVBSH-CYBMUJFWSA-N 0 3 263.293 1.078 10 10 CDCEHN CN(C)c1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000295072497 371126298 /nfs/dbraw/zinc/12/62/98/371126298.db2.gz HKNSSVHFJTXKGS-IRXDYDNUSA-N 0 3 289.423 1.658 10 10 CDCEHN C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000120567109 390872816 /nfs/dbraw/zinc/87/28/16/390872816.db2.gz PPZJJZCDYSQZFO-HUUCEWRRSA-N 0 3 291.439 1.640 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000091667032 260266386 /nfs/dbraw/zinc/26/63/86/260266386.db2.gz OAAHJUIPUSSOPU-WCQYABFASA-N 0 3 280.368 1.382 10 10 CDCEHN CN(C)c1ccc(CN2CC[C@]3(CNC(=O)C3)C2)cc1F ZINC000279450678 522183708 /nfs/dbraw/zinc/18/37/08/522183708.db2.gz QDWHLZPFKARZTK-INIZCTEOSA-N 0 3 291.370 1.604 10 10 CDCEHN COc1cc(O)c(CNCC2(C)OCCCO2)cc1OC ZINC000277068969 522778880 /nfs/dbraw/zinc/77/88/80/522778880.db2.gz DTIHAKXNDTZGGV-UHFFFAOYSA-N 0 3 297.351 1.652 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000094618342 525674998 /nfs/dbraw/zinc/67/49/98/525674998.db2.gz UMSWQHHKKCBMHV-KOLCDFICSA-N 0 3 266.316 1.803 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000084062923 525946335 /nfs/dbraw/zinc/94/63/35/525946335.db2.gz ZDJNNORLXQACJA-RYUDHWBXSA-N 0 3 262.353 1.972 10 10 CDCEHN Nc1ccc(N2CCN(CCCCCO)CC2)cc1 ZINC000051021369 527490230 /nfs/dbraw/zinc/49/02/30/527490230.db2.gz IHAAWEOYUUMBPT-UHFFFAOYSA-N 0 3 263.385 1.553 10 10 CDCEHN CCN(CC)c1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769564988 575360152 /nfs/dbraw/zinc/36/01/52/575360152.db2.gz SNFKOBOXGFWFHY-IYBDPMFKSA-N 0 3 278.396 1.460 10 10 CDCEHN CCN(OC)C(=O)CNCc1cc(C)cc(OC)c1O ZINC000895084265 619274348 /nfs/dbraw/zinc/27/43/48/619274348.db2.gz ILIBGNSLLNMZND-UHFFFAOYSA-N 0 3 282.340 1.209 10 10 CDCEHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000925319981 621324190 /nfs/dbraw/zinc/32/41/90/621324190.db2.gz WBTWFHHDYXSKDO-WCQYABFASA-N 0 3 277.368 1.626 10 10 CDCEHN CO[C@@]1(CO)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000826952025 735225009 /nfs/dbraw/zinc/22/50/09/735225009.db2.gz DVSPKXBSXOLHNS-HNNXBMFYSA-N 0 3 295.335 1.094 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c1 ZINC000817970924 735866360 /nfs/dbraw/zinc/86/63/60/735866360.db2.gz HSICWOMTVLOUHM-COPLHBTASA-N 0 3 292.379 1.827 10 10 CDCEHN CCOc1ccc(C[NH2+]CCC2CS(=O)(=O)C2)c([O-])c1 ZINC000786824131 735875520 /nfs/dbraw/zinc/87/55/20/735875520.db2.gz JHRHPHMBWOUWIN-UHFFFAOYSA-N 0 3 299.392 1.315 10 10 CDCEHN C[C@@H]1CN(Cc2cc(F)ccc2O)CCN1CCO ZINC000190251886 733517229 /nfs/dbraw/zinc/51/72/29/733517229.db2.gz ZJYGDYBMEXLNEG-LLVKDONJSA-N 0 3 268.332 1.030 10 10 CDCEHN CC[S@](=O)CCNCc1ccc2c(c1)CCO2 ZINC000134640243 733520223 /nfs/dbraw/zinc/52/02/23/733520223.db2.gz XNGXUNCTKXZUAD-QGZVFWFLSA-N 0 3 253.367 1.480 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CNCCO1 ZINC000852745102 733586629 /nfs/dbraw/zinc/58/66/29/733586629.db2.gz OWLIOWVENCRIPP-AWEZNQCLSA-N 0 3 264.369 1.593 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CNCCO1 ZINC000852745102 733586632 /nfs/dbraw/zinc/58/66/32/733586632.db2.gz OWLIOWVENCRIPP-AWEZNQCLSA-N 0 3 264.369 1.593 10 10 CDCEHN CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000827544839 734009818 /nfs/dbraw/zinc/00/98/18/734009818.db2.gz LVOLZQPPRWHRNQ-CYBMUJFWSA-N 0 3 277.368 1.580 10 10 CDCEHN CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000827544839 734009819 /nfs/dbraw/zinc/00/98/19/734009819.db2.gz LVOLZQPPRWHRNQ-CYBMUJFWSA-N 0 3 277.368 1.580 10 10 CDCEHN CCOc1cccc(CN(C)CCN(C)C(=O)OC)c1O ZINC000827335808 734270656 /nfs/dbraw/zinc/27/06/56/734270656.db2.gz ZVBFQGZSOHMHPK-UHFFFAOYSA-N 0 3 296.367 1.921 10 10 CDCEHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(OC)c(C)c1 ZINC000826967121 734382686 /nfs/dbraw/zinc/38/26/86/734382686.db2.gz DOASGXYWNJRMQS-GXTWGEPZSA-N 0 3 279.336 1.424 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC(CO)(CO)C2)c1[O-] ZINC000827475155 734459261 /nfs/dbraw/zinc/45/92/61/734459261.db2.gz UBNQCHONEFJWLC-UHFFFAOYSA-N 0 3 285.771 1.531 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+]2CCC(CO)(CO)C2)c1[O-] ZINC000827475155 734459268 /nfs/dbraw/zinc/45/92/68/734459268.db2.gz UBNQCHONEFJWLC-UHFFFAOYSA-N 0 3 285.771 1.531 10 10 CDCEHN Cc1cc(Cl)cc(CN2CCC(CO)(CO)C2)c1O ZINC000827475155 734459273 /nfs/dbraw/zinc/45/92/73/734459273.db2.gz UBNQCHONEFJWLC-UHFFFAOYSA-N 0 3 285.771 1.531 10 10 CDCEHN NC(=O)CC1CC([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000718387798 734474504 /nfs/dbraw/zinc/47/45/04/734474504.db2.gz XBUODOXPXIELBT-QEWOUOOISA-N 0 3 260.337 1.623 10 10 CDCEHN CC[C@H]([NH2+]C[C@H]1COCCN1C)c1ccccc1[O-] ZINC000700209897 734873929 /nfs/dbraw/zinc/87/39/29/734873929.db2.gz MHMIJKHOTRADDN-JSGCOSHPSA-N 0 3 264.369 1.764 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1[O-] ZINC000776253225 735178928 /nfs/dbraw/zinc/17/89/28/735178928.db2.gz TZTAMGQMGQJQQE-VIFPVBQESA-N 0 3 291.800 1.877 10 10 CDCEHN COc1ccc(N(C)CCN(C)C[C@H](O)C(C)(C)O)cc1 ZINC001646717633 1168057890 /nfs/dbraw/zinc/05/78/90/1168057890.db2.gz BVKLKIBNBYEFSA-HNNXBMFYSA-N 0 3 296.411 1.195 10 10 CDCEHN COc1cccc([O-])c1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000827152837 936494940 /nfs/dbraw/zinc/49/49/40/936494940.db2.gz WWKKWFVCIXDTDT-QWRGUYRKSA-N 0 3 265.353 1.850 10 10 CDCEHN Cc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c([O-])c1 ZINC001119451009 937721052 /nfs/dbraw/zinc/72/10/52/937721052.db2.gz SOFILKAZOLPXLH-CYBMUJFWSA-N 0 3 283.393 1.758 10 10 CDCEHN CN(C)C1(C(=O)NCc2cccc(O)c2O)CCC1 ZINC001350299924 966627186 /nfs/dbraw/zinc/62/71/86/966627186.db2.gz KYKWIBOTBOBPDB-UHFFFAOYSA-N 0 3 264.325 1.198 10 10 CDCEHN Cc1cc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1C ZINC000245748656 361915541 /nfs/dbraw/zinc/91/55/41/361915541.db2.gz NHSKMTACWLYMMY-LSDHHAIUSA-N 0 3 292.423 1.896 10 10 CDCEHN COc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000180084803 357242634 /nfs/dbraw/zinc/24/26/34/357242634.db2.gz VIKHJVSBHSMYMP-QWHCGFSZSA-N 0 3 294.395 1.288 10 10 CDCEHN C[C@H]1OCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134240319 361542621 /nfs/dbraw/zinc/54/26/21/361542621.db2.gz BMELIFHWLYZGPC-PSASIEDQSA-N 0 3 251.282 1.388 10 10 CDCEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000248708299 391931756 /nfs/dbraw/zinc/93/17/56/391931756.db2.gz BLEKUNSKZAJKPW-NEPJUHHUSA-N 0 3 290.363 1.797 10 10 CDCEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000248708299 391931765 /nfs/dbraw/zinc/93/17/65/391931765.db2.gz BLEKUNSKZAJKPW-NEPJUHHUSA-N 0 3 290.363 1.797 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccccc1[O-] ZINC000527956891 393005691 /nfs/dbraw/zinc/00/56/91/393005691.db2.gz RCOMPVMBZPMFMT-LEWSCRJBSA-N 0 3 251.326 1.583 10 10 CDCEHN Cc1ccc(O)c([C@H](C)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000035628496 172307461 /nfs/dbraw/zinc/30/74/61/172307461.db2.gz XBPQETPZCAZBQF-QWRGUYRKSA-N 0 3 269.366 1.538 10 10 CDCEHN Cc1nccc(N2CCN(Cc3ccccc3O)CC2)n1 ZINC000184765248 262028985 /nfs/dbraw/zinc/02/89/85/262028985.db2.gz QTLPPNBGNCWMNR-UHFFFAOYSA-N 0 3 284.363 1.813 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000184934561 262033824 /nfs/dbraw/zinc/03/38/24/262033824.db2.gz HHKGBOJIGSJMHJ-STQMWFEESA-N 0 3 294.395 1.772 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c([O-])c1 ZINC000185994252 262074995 /nfs/dbraw/zinc/07/49/95/262074995.db2.gz GRAKMQUMFLNHEN-NEPJUHHUSA-N 0 3 272.352 1.958 10 10 CDCEHN COc1ccc(C[NH2+][C@H](C)CCN(C)C)c([O-])c1 ZINC000049554486 524087645 /nfs/dbraw/zinc/08/76/45/524087645.db2.gz YXGCEGBXBFBZGR-LLVKDONJSA-N 0 3 252.358 1.831 10 10 CDCEHN COc1cc(C)cc(CN2CC(C)(C(N)=O)C2)c1O ZINC000895074825 619263420 /nfs/dbraw/zinc/26/34/20/619263420.db2.gz QUYWEFPJXQXHDS-UHFFFAOYSA-N 0 3 264.325 1.016 10 10 CDCEHN CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000918541773 632382769 /nfs/dbraw/zinc/38/27/69/632382769.db2.gz JWKVYNKUZYODPY-AWEZNQCLSA-N 0 3 290.411 1.646 10 10 CDCEHN CCN(C)c1ccc(CN2CC[C@H](NC(=O)NC)C2)cc1 ZINC001645227442 1167379076 /nfs/dbraw/zinc/37/90/76/1167379076.db2.gz CLDOPNFCTWWEDG-AWEZNQCLSA-N 0 3 290.411 1.646 10 10 CDCEHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001583792569 1172782429 /nfs/dbraw/zinc/78/24/29/1172782429.db2.gz YAVDAHQZUZOGJL-GFCCVEGCSA-N 0 3 290.363 1.798 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CCc2nnnn2C)c1[O-] ZINC000776257497 736865774 /nfs/dbraw/zinc/86/57/74/736865774.db2.gz YBNXFMFBTLMJFS-UHFFFAOYSA-N 0 3 281.747 1.210 10 10 CDCEHN CN1CCC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844905759 737229716 /nfs/dbraw/zinc/22/97/16/737229716.db2.gz GAINMAFDTAPUEJ-GFCCVEGCSA-N 0 3 297.786 1.939 10 10 CDCEHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000825752641 737438461 /nfs/dbraw/zinc/43/84/61/737438461.db2.gz GJGGAORGADGLFS-ZWKOPEQDSA-N 0 3 279.336 1.688 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000717349037 738001665 /nfs/dbraw/zinc/00/16/65/738001665.db2.gz NGRBGFASWZGULY-SNVBAGLBSA-N 0 3 267.222 1.934 10 10 CDCEHN CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C ZINC000840910832 738071506 /nfs/dbraw/zinc/07/15/06/738071506.db2.gz MVVQKVLZPOTBQF-HNNXBMFYSA-N 0 3 275.396 1.771 10 10 CDCEHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c(O)c1O ZINC000928431772 738853170 /nfs/dbraw/zinc/85/31/70/738853170.db2.gz AVPCCJLJSWMNEF-GXSJLCMTSA-N 0 3 264.325 1.229 10 10 CDCEHN C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000716739091 738933548 /nfs/dbraw/zinc/93/35/48/738933548.db2.gz BGPOVDLSJRZKHG-ZNFPMYQNSA-N 0 3 252.289 1.446 10 10 CDCEHN CCON(C)C(=O)CNCc1cc(C)c(C)cc1O ZINC000846062558 736434707 /nfs/dbraw/zinc/43/47/07/736434707.db2.gz HEYAZGFNTQLIAN-UHFFFAOYSA-N 0 3 266.341 1.509 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000835037990 736810874 /nfs/dbraw/zinc/81/08/74/736810874.db2.gz SMVUMPCHTXZNTC-ZRUQZJFASA-N 0 3 273.380 1.586 10 10 CDCEHN [NH3+][C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H]1C(F)(F)F ZINC000720916149 737043733 /nfs/dbraw/zinc/04/37/33/737043733.db2.gz JZBPEHRZPRMXDY-NXEZZACHSA-N 0 3 278.249 1.853 10 10 CDCEHN O=S1(=O)CCC[C@H]1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000714347173 737161514 /nfs/dbraw/zinc/16/15/14/737161514.db2.gz IGOAHEARGKZSGE-STQMWFEESA-N 0 3 295.404 1.936 10 10 CDCEHN C[NH+](C)C1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000709873600 737405807 /nfs/dbraw/zinc/40/58/07/737405807.db2.gz UAZLUQZERMKJGC-UHFFFAOYSA-N 0 3 278.352 1.654 10 10 CDCEHN COc1ccc(N2CC[C@H](NCc3cnnn3C)C2)cc1 ZINC000850346608 737981778 /nfs/dbraw/zinc/98/17/78/737981778.db2.gz HTSNZMLZUXWKCB-LBPRGKRZSA-N 0 3 287.367 1.192 10 10 CDCEHN COc1ccc(O)c(CN2CCSC[C@@H]2CCO)c1 ZINC000775737216 738398614 /nfs/dbraw/zinc/39/86/14/738398614.db2.gz KQSIZIYRGASQSU-LBPRGKRZSA-N 0 3 283.393 1.701 10 10 CDCEHN CCOc1cccc(CN2CC[C@@](O)(C(F)F)C2)c1O ZINC000824726453 739107669 /nfs/dbraw/zinc/10/76/69/739107669.db2.gz MOMPJJRKMGYJLM-AWEZNQCLSA-N 0 3 287.306 1.993 10 10 CDCEHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C(=O)NC ZINC000697858688 937287606 /nfs/dbraw/zinc/28/76/06/937287606.db2.gz MREGWDACKRPFAE-JQWIXIFHSA-N 0 3 250.342 1.876 10 10 CDCEHN NC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001324777144 953571748 /nfs/dbraw/zinc/57/17/48/953571748.db2.gz WSUQEMQHULOBAK-CQSZACIVSA-N 0 3 288.395 1.529 10 10 CDCEHN CC(C)N1CCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001350315082 966631894 /nfs/dbraw/zinc/63/18/94/966631894.db2.gz KIIJCWUMDVFDGC-GFCCVEGCSA-N 0 3 278.352 1.587 10 10 CDCEHN CCOc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1[O-] ZINC000375803811 364730240 /nfs/dbraw/zinc/73/02/40/364730240.db2.gz FOAVDUQQGAGPJZ-XYYAHUGASA-N 0 3 263.337 1.773 10 10 CDCEHN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCF ZINC001662430715 1172548225 /nfs/dbraw/zinc/54/82/25/1172548225.db2.gz XCEWGINLEGXUIH-SECBINFHSA-N 0 3 295.318 1.526 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC ZINC000076074318 390791268 /nfs/dbraw/zinc/79/12/68/390791268.db2.gz ZOTSLWIARHIFAJ-CYBMUJFWSA-N 0 3 253.342 1.612 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC ZINC000076074318 390791270 /nfs/dbraw/zinc/79/12/70/390791270.db2.gz ZOTSLWIARHIFAJ-CYBMUJFWSA-N 0 3 253.342 1.612 10 10 CDCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183618139 391267237 /nfs/dbraw/zinc/26/72/37/391267237.db2.gz PGADADAKCHQXEO-NWDGAFQWSA-N 0 3 277.368 1.847 10 10 CDCEHN CC(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000020148976 171037870 /nfs/dbraw/zinc/03/78/70/171037870.db2.gz SWPYOKDSFCLQJT-PWSUYJOCSA-N 0 3 262.353 1.975 10 10 CDCEHN CCCN(CC(=O)N(C)CC)Cc1ccc(N)cc1 ZINC000035364844 172154655 /nfs/dbraw/zinc/15/46/55/172154655.db2.gz ALLFKEDKYOGQJI-UHFFFAOYSA-N 0 3 263.385 1.959 10 10 CDCEHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000077900462 260167445 /nfs/dbraw/zinc/16/74/45/260167445.db2.gz GWXNMYTZFJUJPJ-GFCCVEGCSA-N 0 3 278.352 1.501 10 10 CDCEHN COc1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1C ZINC000527757371 281177926 /nfs/dbraw/zinc/17/79/26/281177926.db2.gz DUBOLQSXVNFLRR-ZFWWWQNUSA-N 0 3 265.353 1.633 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H]1CCC[C@@H]1O ZINC000091899864 327187378 /nfs/dbraw/zinc/18/73/78/327187378.db2.gz OQGCQXSAMSMQFE-JQWIXIFHSA-N 0 3 279.336 1.714 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@@H]1CCC[C@@H]1O ZINC000091899864 327187380 /nfs/dbraw/zinc/18/73/80/327187380.db2.gz OQGCQXSAMSMQFE-JQWIXIFHSA-N 0 3 279.336 1.714 10 10 CDCEHN CCOc1cccc(CNCc2ccnn2C)c1O ZINC000071138209 521369330 /nfs/dbraw/zinc/36/93/30/521369330.db2.gz MAWZBQNHKNLKBF-UHFFFAOYSA-N 0 3 261.325 1.814 10 10 CDCEHN CN(c1c(F)cc(CN)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000062711342 523632560 /nfs/dbraw/zinc/63/25/60/523632560.db2.gz NANIULJGHKVAAL-VIFPVBQESA-N 0 3 290.335 1.047 10 10 CDCEHN CCOc1ccc(C[NH2+][C@H]2CCCN(C)C2)c([O-])c1 ZINC000725846588 574443959 /nfs/dbraw/zinc/44/39/59/574443959.db2.gz MTTXPKZBONKRIJ-ZDUSSCGKSA-N 0 3 264.369 1.975 10 10 CDCEHN CCOc1ccc(C[NH2+]CCc2cnn(C)c2)c([O-])c1 ZINC000725847189 574444047 /nfs/dbraw/zinc/44/40/47/574444047.db2.gz FELCHZGOQWDBJB-UHFFFAOYSA-N 0 3 275.352 1.857 10 10 CDCEHN COc1ccc(O)c(CNC(=O)CC2CCN(C)CC2)c1 ZINC000753987569 576871942 /nfs/dbraw/zinc/87/19/42/576871942.db2.gz VQJCOWDTDORXQK-UHFFFAOYSA-N 0 3 292.379 1.749 10 10 CDCEHN [O-]c1c(F)cccc1C[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000903973082 626168469 /nfs/dbraw/zinc/16/84/69/626168469.db2.gz NXOJYRWOVFDVMG-CYBMUJFWSA-N 0 3 294.370 1.780 10 10 CDCEHN [O-]c1c(F)cccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973082 626168471 /nfs/dbraw/zinc/16/84/71/626168471.db2.gz NXOJYRWOVFDVMG-CYBMUJFWSA-N 0 3 294.370 1.780 10 10 CDCEHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC000847696044 739770872 /nfs/dbraw/zinc/77/08/72/739770872.db2.gz KLNLYJFELFPNLV-VXGBXAGGSA-N 0 3 292.379 1.487 10 10 CDCEHN NC(=O)CC1([NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000776266491 740869692 /nfs/dbraw/zinc/86/96/92/740869692.db2.gz WDRQIOTUJVHMMO-UHFFFAOYSA-N 0 3 252.289 1.419 10 10 CDCEHN CCNC(=O)C1CN(Cc2cccc(CC)c2O)C1 ZINC000848916084 741008060 /nfs/dbraw/zinc/00/80/60/741008060.db2.gz CNCKYJNXECCBJY-UHFFFAOYSA-N 0 3 262.353 1.523 10 10 CDCEHN COc1ccc(O)c(CNCC(=O)NCc2ccco2)c1 ZINC000775928205 741738895 /nfs/dbraw/zinc/73/88/95/741738895.db2.gz JWPQHNAFVKZTJA-UHFFFAOYSA-N 0 3 290.319 1.400 10 10 CDCEHN [O-]c1cccc(Cl)c1CNCC12CC(C1)C[NH2+]2 ZINC000853245985 741686642 /nfs/dbraw/zinc/68/66/42/741686642.db2.gz FRYXDLDPZYQURN-UHFFFAOYSA-N 0 3 252.745 1.887 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843416634 741861402 /nfs/dbraw/zinc/86/14/02/741861402.db2.gz VRNMEPYGPYHLAT-ZDUSSCGKSA-N 0 3 270.336 1.869 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843416634 741861405 /nfs/dbraw/zinc/86/14/05/741861405.db2.gz VRNMEPYGPYHLAT-ZDUSSCGKSA-N 0 3 270.336 1.869 10 10 CDCEHN CN(Cc1ccccc1O)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844308333 742383301 /nfs/dbraw/zinc/38/33/01/742383301.db2.gz XKBPUENOAYKVMC-ZDUSSCGKSA-N 0 3 276.336 1.807 10 10 CDCEHN COc1ccc(O)c([C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC000847590798 739262863 /nfs/dbraw/zinc/26/28/63/739262863.db2.gz HTWVAEDBXLLGON-RYUDHWBXSA-N 0 3 292.379 1.920 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843416632 741271154 /nfs/dbraw/zinc/27/11/54/741271154.db2.gz VRNMEPYGPYHLAT-CYBMUJFWSA-N 0 3 270.336 1.869 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843416632 741271165 /nfs/dbraw/zinc/27/11/65/741271165.db2.gz VRNMEPYGPYHLAT-CYBMUJFWSA-N 0 3 270.336 1.869 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000827371583 741360512 /nfs/dbraw/zinc/36/05/12/741360512.db2.gz WNEYGYGFHVSFIU-NSHDSACASA-N 0 3 268.744 1.722 10 10 CDCEHN COC[C@@](C)(CO)NCc1ccc2c(c1)CCO2 ZINC000716860800 741819709 /nfs/dbraw/zinc/81/97/09/741819709.db2.gz LDGZKQVYOHRPIZ-CQSZACIVSA-N 0 3 251.326 1.109 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2C)c([O-])c1 ZINC000700209747 742788325 /nfs/dbraw/zinc/78/83/25/742788325.db2.gz LTMPMPULBBUVOB-QWHCGFSZSA-N 0 3 264.369 1.682 10 10 CDCEHN [O-]c1cccc(Cl)c1CN1CCOC2(C[NH2+]C2)C1 ZINC001328506566 955315064 /nfs/dbraw/zinc/31/50/64/955315064.db2.gz FYKHJQMPQQDABX-UHFFFAOYSA-N 0 3 268.744 1.220 10 10 CDCEHN c1nc2cnccn2c1CNCc1ccc2c(c1)CCO2 ZINC001560302665 960922275 /nfs/dbraw/zinc/92/22/75/960922275.db2.gz GWVQIDYVZOKNCY-UHFFFAOYSA-N 0 3 280.331 1.954 10 10 CDCEHN COc1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1C ZINC000527757370 538446943 /nfs/dbraw/zinc/44/69/43/538446943.db2.gz DUBOLQSXVNFLRR-UKRRQHHQSA-N 0 3 265.353 1.633 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@H](C)OC)cc1OC ZINC000191694707 358147106 /nfs/dbraw/zinc/14/71/06/358147106.db2.gz MKILXJQYYSDBNT-UWVGGRQHSA-N 0 3 269.341 1.922 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293887096 378602513 /nfs/dbraw/zinc/60/25/13/378602513.db2.gz VREGWIOTIDTWNN-RYUDHWBXSA-N 0 3 253.342 1.667 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(N(C)C)cc2)CC1=O ZINC000374153763 391151637 /nfs/dbraw/zinc/15/16/37/391151637.db2.gz MXJMORMNWGPXCG-IVMMDQJWSA-N 0 3 287.407 1.852 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195007999 391374434 /nfs/dbraw/zinc/37/44/34/391374434.db2.gz UQQNYANVHWBUSQ-PELKAZGASA-N 0 3 282.771 1.968 10 10 CDCEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000248708302 391932302 /nfs/dbraw/zinc/93/23/02/391932302.db2.gz BLEKUNSKZAJKPW-RYUDHWBXSA-N 0 3 290.363 1.797 10 10 CDCEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000248708302 391932305 /nfs/dbraw/zinc/93/23/05/391932305.db2.gz BLEKUNSKZAJKPW-RYUDHWBXSA-N 0 3 290.363 1.797 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000527955575 393005118 /nfs/dbraw/zinc/00/51/18/393005118.db2.gz MQXRSXYEDWVIBY-TUKIKUTGSA-N 0 3 265.353 1.891 10 10 CDCEHN COCCOCCC[NH2+]Cc1ccc(O)cc1[O-] ZINC000020191940 171058259 /nfs/dbraw/zinc/05/82/59/171058259.db2.gz ZHWKARHTFADSJC-UHFFFAOYSA-N 0 3 255.314 1.241 10 10 CDCEHN C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1[NH+](C)C ZINC000160191475 261207666 /nfs/dbraw/zinc/20/76/66/261207666.db2.gz GGTJJTDLWZMQGO-MFKMUULPSA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1N(C)C ZINC000160191475 261207668 /nfs/dbraw/zinc/20/76/68/261207668.db2.gz GGTJJTDLWZMQGO-MFKMUULPSA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1N(C)C ZINC000160191475 261207669 /nfs/dbraw/zinc/20/76/69/261207669.db2.gz GGTJJTDLWZMQGO-MFKMUULPSA-N 0 3 252.333 1.913 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@]2(CO)CCOC2)c1[O-] ZINC000184193742 262011741 /nfs/dbraw/zinc/01/17/41/262011741.db2.gz GXXIXXRWSSHXSI-ZDUSSCGKSA-N 0 3 271.744 1.595 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000089165387 524754141 /nfs/dbraw/zinc/75/41/41/524754141.db2.gz DUBBRBLDYIKULG-GXFFZTMASA-N 0 3 251.326 1.651 10 10 CDCEHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769563402 575360397 /nfs/dbraw/zinc/36/03/97/575360397.db2.gz IIAXNLUJYGOWCH-CALCHBBNSA-N 0 3 299.370 1.987 10 10 CDCEHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000769563402 575360399 /nfs/dbraw/zinc/36/03/99/575360399.db2.gz IIAXNLUJYGOWCH-CALCHBBNSA-N 0 3 299.370 1.987 10 10 CDCEHN CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000862539606 620737016 /nfs/dbraw/zinc/73/70/16/620737016.db2.gz QHFGAFCJYODNRO-VIFPVBQESA-N 0 3 286.759 1.852 10 10 CDCEHN CON(C)C(=O)[C@H](C)NCc1cc(Cl)cc(C)c1O ZINC000862539606 620737017 /nfs/dbraw/zinc/73/70/17/620737017.db2.gz QHFGAFCJYODNRO-VIFPVBQESA-N 0 3 286.759 1.852 10 10 CDCEHN C[C@H]([NH2+]CCN1CCOCC1)c1ccccc1[O-] ZINC000019954247 619401806 /nfs/dbraw/zinc/40/18/06/619401806.db2.gz RHRAXIMDNFYHMP-LBPRGKRZSA-N 0 3 250.342 1.375 10 10 CDCEHN CN(C)c1ccc(CN2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 ZINC001654958092 1171655094 /nfs/dbraw/zinc/65/50/94/1171655094.db2.gz XZJOOMDZSOQOGQ-DZGCQCFKSA-N 0 3 289.379 1.683 10 10 CDCEHN COc1cc(C)cc(CN2CCC[C@@H](NC(C)=O)C2)c1O ZINC000164138740 743054788 /nfs/dbraw/zinc/05/47/88/743054788.db2.gz DZWQNDLWJLEPDI-CQSZACIVSA-N 0 3 292.379 1.810 10 10 CDCEHN C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000776335155 744968180 /nfs/dbraw/zinc/96/81/80/744968180.db2.gz BTQGFRRNURXZDU-NSHDSACASA-N 0 3 278.352 1.702 10 10 CDCEHN C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000776335155 744968185 /nfs/dbraw/zinc/96/81/85/744968185.db2.gz BTQGFRRNURXZDU-NSHDSACASA-N 0 3 278.352 1.702 10 10 CDCEHN NC(=O)CC1CC([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000718387795 745305509 /nfs/dbraw/zinc/30/55/09/745305509.db2.gz XBUODOXPXIELBT-NHNAUAITSA-N 0 3 260.337 1.623 10 10 CDCEHN Cc1cc(O)c(CNC2(C(=O)N(C)C)CC2)cc1C ZINC000840956855 745475245 /nfs/dbraw/zinc/47/52/45/745475245.db2.gz FVJWFTKFWAKNKY-UHFFFAOYSA-N 0 3 262.353 1.719 10 10 CDCEHN COC1(OC)CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000931634625 746152318 /nfs/dbraw/zinc/15/23/18/746152318.db2.gz NOXFDXOIMWVVBC-HNNXBMFYSA-N 0 3 294.395 1.308 10 10 CDCEHN CN1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000723600665 746229526 /nfs/dbraw/zinc/22/95/26/746229526.db2.gz JZMCXYYDPXTRGV-PWSUYJOCSA-N 0 3 260.337 1.447 10 10 CDCEHN O=C1CCC2=C(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC000826785622 747309894 /nfs/dbraw/zinc/30/98/94/747309894.db2.gz ZSKADZCUWNCNED-UHFFFAOYSA-N 0 3 276.311 1.901 10 10 CDCEHN O=C1CCC2=C(CC[N@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC000826785622 747309904 /nfs/dbraw/zinc/30/99/04/747309904.db2.gz ZSKADZCUWNCNED-UHFFFAOYSA-N 0 3 276.311 1.901 10 10 CDCEHN CO[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@@H]1C ZINC000783970353 747800348 /nfs/dbraw/zinc/80/03/48/747800348.db2.gz CAAYFKMXEBBUJQ-DRZCJDIDSA-N 0 3 293.363 1.675 10 10 CDCEHN CO[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@@H]1C ZINC000783970353 747800349 /nfs/dbraw/zinc/80/03/49/747800349.db2.gz CAAYFKMXEBBUJQ-DRZCJDIDSA-N 0 3 293.363 1.675 10 10 CDCEHN COC[C@](C)(O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000824558969 747868608 /nfs/dbraw/zinc/86/86/08/747868608.db2.gz AXXDHCBTPDUOMQ-CYBMUJFWSA-N 0 3 257.305 1.408 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000824583986 749306570 /nfs/dbraw/zinc/30/65/70/749306570.db2.gz ULOKTAZKYSLBLP-CQSZACIVSA-N 0 3 282.359 1.468 10 10 CDCEHN C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000714247104 749364684 /nfs/dbraw/zinc/36/46/84/749364684.db2.gz IBJSXSJPUAKJLC-DCAQKATOSA-N 0 3 269.366 1.618 10 10 CDCEHN CS(=O)(=O)CC1(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000692786581 900197939 /nfs/dbraw/zinc/19/79/39/900197939.db2.gz ROPDXVXPVJLHAK-UHFFFAOYSA-N 0 3 283.393 1.697 10 10 CDCEHN CCCN1CCCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001348045997 965800353 /nfs/dbraw/zinc/80/03/53/965800353.db2.gz GLPMDCHUNHSCMT-ZDUSSCGKSA-N 0 3 292.379 1.979 10 10 CDCEHN CC(C)[C@H](C(=O)NCc1c(O)cccc1O)N(C)C ZINC001456237772 968913755 /nfs/dbraw/zinc/91/37/55/968913755.db2.gz WJSNSMWHHGUJPX-CYBMUJFWSA-N 0 3 266.341 1.300 10 10 CDCEHN Cn1ccnc1C1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675077788 539085601 /nfs/dbraw/zinc/08/56/01/539085601.db2.gz IVPQOPTUXBNCKX-LLVKDONJSA-N 0 3 278.356 1.382 10 10 CDCEHN COc1ccc(CNC[C@H]2CN(C)CCO2)cc1C ZINC000065611121 363407738 /nfs/dbraw/zinc/40/77/38/363407738.db2.gz DOKHHOIAKVWQQU-AWEZNQCLSA-N 0 3 264.369 1.424 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282265110 364023698 /nfs/dbraw/zinc/02/36/98/364023698.db2.gz KDDBXLZUAGGBSV-OPQQBVKSSA-N 0 3 278.352 1.719 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]CC2CC(O)C2)c1[O-] ZINC000229052898 368581130 /nfs/dbraw/zinc/58/11/30/368581130.db2.gz OLORWPILAOAQMF-UHFFFAOYSA-N 0 3 271.744 1.915 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000361390033 368795101 /nfs/dbraw/zinc/79/51/01/368795101.db2.gz LPAFFELXPULSGI-WXHSDQCUSA-N 0 3 260.337 1.491 10 10 CDCEHN Cc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000120651641 390874099 /nfs/dbraw/zinc/87/40/99/390874099.db2.gz UIQVWNYHFZANHQ-ZIAGYGMSSA-N 0 3 278.396 1.588 10 10 CDCEHN CCOc1cccc(C[NH2+]C[C@@H]2CN(C)CCO2)c1[O-] ZINC000105471212 391064958 /nfs/dbraw/zinc/06/49/58/391064958.db2.gz LJTAKFQCVIOADV-CYBMUJFWSA-N 0 3 280.368 1.211 10 10 CDCEHN COc1cccc(CNC(=O)CC2CCN(C)CC2)c1O ZINC000292239606 525966594 /nfs/dbraw/zinc/96/65/94/525966594.db2.gz RORMZDUCPDSUGM-UHFFFAOYSA-N 0 3 292.379 1.749 10 10 CDCEHN CNC(=O)C1(NCc2ccc(OC)c(C)c2)CCOCC1 ZINC000895885972 619884635 /nfs/dbraw/zinc/88/46/35/619884635.db2.gz ZDQWSVMLZDYYAU-UHFFFAOYSA-N 0 3 292.379 1.388 10 10 CDCEHN CCOc1ccc(O)c(CN2CC(C)(C(N)=O)C2)c1 ZINC000843415900 751343664 /nfs/dbraw/zinc/34/36/64/751343664.db2.gz MPCVMORHBJIQIS-UHFFFAOYSA-N 0 3 264.325 1.098 10 10 CDCEHN COc1cccc(CN[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858342989 751842817 /nfs/dbraw/zinc/84/28/17/751842817.db2.gz RQISRNUNZMJKRT-CYBMUJFWSA-N 0 3 290.363 1.644 10 10 CDCEHN C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccccc1[O-] ZINC000786949764 752002276 /nfs/dbraw/zinc/00/22/76/752002276.db2.gz IRGXURZCUCAKBT-JTQLQIEISA-N 0 3 269.366 1.478 10 10 CDCEHN COc1ccc(N2CCN(C[C@@H](O)C3CC3)CC2)cc1 ZINC000069090089 749750272 /nfs/dbraw/zinc/75/02/72/749750272.db2.gz JHESOOUNLXKTCZ-MRXNPFEDSA-N 0 3 276.380 1.588 10 10 CDCEHN C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC000313076845 749848734 /nfs/dbraw/zinc/84/87/34/749848734.db2.gz WJYFDWVXJHLAQF-GHMZBOCLSA-N 0 3 276.336 1.122 10 10 CDCEHN C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC000313076845 749848739 /nfs/dbraw/zinc/84/87/39/749848739.db2.gz WJYFDWVXJHLAQF-GHMZBOCLSA-N 0 3 276.336 1.122 10 10 CDCEHN CCOc1ccc(CN2CCN(CCO)C[C@H]2C)c(O)c1 ZINC000825338684 749959867 /nfs/dbraw/zinc/95/98/67/749959867.db2.gz UCOCHUIVVNPKPV-CYBMUJFWSA-N 0 3 294.395 1.289 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(F)ccc1[O-] ZINC000094618458 750377509 /nfs/dbraw/zinc/37/75/09/750377509.db2.gz SQJYLDCUEZBXTE-KWQFWETISA-N 0 3 280.299 1.329 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000846047384 750735680 /nfs/dbraw/zinc/73/56/80/750735680.db2.gz WXSOELBBYIQSCV-DKTWLAJQSA-N 0 3 268.744 1.708 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@@H]2COCC[C@H]2O)cc1 ZINC000865749315 751240633 /nfs/dbraw/zinc/24/06/33/751240633.db2.gz CXRUEGRLBNAHOE-OBMMGQTPSA-N 0 3 276.380 1.505 10 10 CDCEHN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000862466622 751301817 /nfs/dbraw/zinc/30/18/17/751301817.db2.gz PZGSCHGZJZTOEA-LBPRGKRZSA-N 0 3 265.284 1.883 10 10 CDCEHN CCON(CC)C(=O)CNCc1cccc(CC)c1O ZINC000862453346 753131614 /nfs/dbraw/zinc/13/16/14/753131614.db2.gz LGKHOPVEGXKMPK-UHFFFAOYSA-N 0 3 280.368 1.844 10 10 CDCEHN COc1ccc(CNC2COCCOC2)cc1C ZINC000311119074 753157334 /nfs/dbraw/zinc/15/73/34/753157334.db2.gz UANYSZMRSPQEOW-UHFFFAOYSA-N 0 3 251.326 1.509 10 10 CDCEHN NC(C(=O)NCCCSc1nccs1)C(F)(F)F ZINC000829527749 753386147 /nfs/dbraw/zinc/38/61/47/753386147.db2.gz DUKMNIGOZHLRDA-ZCFIWIBFSA-N 0 3 299.343 1.631 10 10 CDCEHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N(C)C)c(C)c1 ZINC000852414236 753547523 /nfs/dbraw/zinc/54/75/23/753547523.db2.gz KSMRDHFDXIZLQT-DZGCQCFKSA-N 0 3 292.379 1.481 10 10 CDCEHN c1cc(N2CC(NCc3ccc4c(c3)CCO4)C2)ncn1 ZINC000865748754 753807431 /nfs/dbraw/zinc/80/74/31/753807431.db2.gz BJRHTGUTBXYUNY-UHFFFAOYSA-N 0 3 282.347 1.390 10 10 CDCEHN C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000404193668 897132165 /nfs/dbraw/zinc/13/21/65/897132165.db2.gz LWZIDMOOIZQEMG-IINYFYTJSA-N 0 3 269.316 1.723 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c([O-])c1 ZINC000850507289 927437382 /nfs/dbraw/zinc/43/73/82/927437382.db2.gz IKAOEWRLCPPYLT-XJKSGUPXSA-N 0 3 295.379 1.519 10 10 CDCEHN COc1ccc(Br)c([C@H]([NH3+])CCO)c1[O-] ZINC000044233883 360266874 /nfs/dbraw/zinc/26/68/74/360266874.db2.gz BHKWRCCTVGKBLC-SSDOTTSWSA-N 0 3 276.130 1.546 10 10 CDCEHN COc1cccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284184813 368503521 /nfs/dbraw/zinc/50/35/21/368503521.db2.gz XVNZOVDBYAXNBM-JSGCOSHPSA-N 0 3 297.395 1.648 10 10 CDCEHN Cc1cccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284996426 368567993 /nfs/dbraw/zinc/56/79/93/368567993.db2.gz JFTMNUODKYBRQO-ZIAGYGMSSA-N 0 3 281.396 1.948 10 10 CDCEHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1N1CCOCC1 ZINC000245900233 376307173 /nfs/dbraw/zinc/30/71/73/376307173.db2.gz DOFBJOJBXPEBRK-SWLSCSKDSA-N 0 3 294.370 1.684 10 10 CDCEHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1N1CCOCC1 ZINC000245900233 376307177 /nfs/dbraw/zinc/30/71/77/376307177.db2.gz DOFBJOJBXPEBRK-SWLSCSKDSA-N 0 3 294.370 1.684 10 10 CDCEHN CN1CCc2cc(CNC[C@H]3CN(C)CCO3)ccc21 ZINC000091666828 260266220 /nfs/dbraw/zinc/26/62/20/260266220.db2.gz JUYMXYBJRUTQGD-HNNXBMFYSA-N 0 3 275.396 1.099 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000185993831 262074988 /nfs/dbraw/zinc/07/49/88/262074988.db2.gz YXHDKBJTKJHMJC-QWRGUYRKSA-N 0 3 288.351 1.658 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)ccc1[O-] ZINC000185994656 262075299 /nfs/dbraw/zinc/07/52/99/262075299.db2.gz CHVXJHBUOQHNLH-KOLCDFICSA-N 0 3 276.315 1.788 10 10 CDCEHN CCOc1cccc(C[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000289919322 521366267 /nfs/dbraw/zinc/36/62/67/521366267.db2.gz SFFZRGPRLZEMFQ-UHFFFAOYSA-N 0 3 261.325 1.846 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000089165386 524751530 /nfs/dbraw/zinc/75/15/30/524751530.db2.gz DUBBRBLDYIKULG-MFKMUULPSA-N 0 3 251.326 1.651 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCC[C@H]1O)OCO2 ZINC000085979135 526336210 /nfs/dbraw/zinc/33/62/10/526336210.db2.gz FHOCKKQRHRUWJZ-ZYHUDNBSSA-N 0 3 279.336 1.762 10 10 CDCEHN COc1ccc(N2CCN(CC3(O)CCC3)CC2)cc1F ZINC000757844384 577057649 /nfs/dbraw/zinc/05/76/49/577057649.db2.gz YZXJONFVTIGDDO-UHFFFAOYSA-N 0 3 294.370 1.871 10 10 CDCEHN Cc1cccc([O-])c1C[NH+]1CCC(O)(COCCO)CC1 ZINC000895829963 619865853 /nfs/dbraw/zinc/86/58/53/619865853.db2.gz OXYSSTABZWKQGF-UHFFFAOYSA-N 0 3 295.379 1.036 10 10 CDCEHN CON1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000905763187 626968602 /nfs/dbraw/zinc/96/86/02/626968602.db2.gz BRKYJLQXTDLEOF-SMDDNHRTSA-N 0 3 277.368 1.566 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)C[C@H]2C)cc1C ZINC000825337663 753849478 /nfs/dbraw/zinc/84/94/78/753849478.db2.gz HWSIUQXPEMLJKG-CQSZACIVSA-N 0 3 278.396 1.507 10 10 CDCEHN CN1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841727565 753947436 /nfs/dbraw/zinc/94/74/36/753947436.db2.gz QMIXDVSCWLIDDP-AWEZNQCLSA-N 0 3 276.384 1.205 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCC[C@H](CO)C1)OCO2 ZINC000312375822 754107277 /nfs/dbraw/zinc/10/72/77/754107277.db2.gz DCZRWDYUDACKQM-JQWIXIFHSA-N 0 3 279.336 1.762 10 10 CDCEHN CCS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000703495971 754198787 /nfs/dbraw/zinc/19/87/87/754198787.db2.gz XMYABVDIOFDVHL-GFCCVEGCSA-N 0 3 295.404 1.936 10 10 CDCEHN CN1CCO[C@@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000709414500 754334837 /nfs/dbraw/zinc/33/48/37/754334837.db2.gz HVDPUAVCBUVGLF-CYBMUJFWSA-N 0 3 268.332 1.294 10 10 CDCEHN CN1CCO[C@@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000709414500 754334839 /nfs/dbraw/zinc/33/48/39/754334839.db2.gz HVDPUAVCBUVGLF-CYBMUJFWSA-N 0 3 268.332 1.294 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)CC2 ZINC000850510957 754665455 /nfs/dbraw/zinc/66/54/55/754665455.db2.gz YSKPLHCZHWZKNH-CJNGLKHVSA-N 0 3 293.363 1.137 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)CC2CC2)c1 ZINC000182335936 754818827 /nfs/dbraw/zinc/81/88/27/754818827.db2.gz ZNLNUTCBGZNVHD-LLVKDONJSA-N 0 3 292.379 1.920 10 10 CDCEHN CN1C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000723600659 755214402 /nfs/dbraw/zinc/21/44/02/755214402.db2.gz JZMCXYYDPXTRGV-CMPLNLGQSA-N 0 3 260.337 1.447 10 10 CDCEHN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1[O-] ZINC000706722342 755882655 /nfs/dbraw/zinc/88/26/55/755882655.db2.gz IVTVOBCKNLZANU-OBJOEFQTSA-N 0 3 251.326 1.583 10 10 CDCEHN [O-]c1ccc(F)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055576 756643937 /nfs/dbraw/zinc/64/39/37/756643937.db2.gz LYPVGFJRRYAPGX-CYBMUJFWSA-N 0 3 250.317 1.858 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CCOC3(CNC3)C2)cc1 ZINC000853250080 757230415 /nfs/dbraw/zinc/23/04/15/757230415.db2.gz ZSSTXWZOWXJXQY-ARJAWSKDSA-N 0 3 287.407 1.440 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H](O)C1(O)CCC1)c1ccccc1[O-] ZINC000931554008 758382709 /nfs/dbraw/zinc/38/27/09/758382709.db2.gz JYSAPKUICDKRFE-ZWNOBZJWSA-N 0 3 251.326 1.319 10 10 CDCEHN CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)N(C)C ZINC001350299899 966627358 /nfs/dbraw/zinc/62/73/58/966627358.db2.gz KHIZEXVTDNOHFU-LBPRGKRZSA-N 0 3 266.341 1.300 10 10 CDCEHN C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000273594214 365510422 /nfs/dbraw/zinc/51/04/22/365510422.db2.gz QCZVSBXNRHQUHU-NXEZZACHSA-N 0 3 264.304 1.862 10 10 CDCEHN Cc1cccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284996420 368568081 /nfs/dbraw/zinc/56/80/81/368568081.db2.gz JFTMNUODKYBRQO-KGLIPLIRSA-N 0 3 281.396 1.948 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000285218924 368598192 /nfs/dbraw/zinc/59/81/92/368598192.db2.gz RQJIQLDMHDHHKU-IUODEOHRSA-N 0 3 297.395 1.648 10 10 CDCEHN CN(C)C(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179553482 391210482 /nfs/dbraw/zinc/21/04/82/391210482.db2.gz FVGDIWBBCJXBHV-UHFFFAOYSA-N 0 3 262.353 1.692 10 10 CDCEHN O=C1N=C(N2CCNCC2)S/C1=C/c1ccc(F)cc1 ZINC000020413952 171183251 /nfs/dbraw/zinc/18/32/51/171183251.db2.gz RQLKGVYKNOZCIS-FMIVXFBMSA-N 0 3 291.351 1.701 10 10 CDCEHN CN(CC(=O)Nc1ccc(N)cc1)C1CCN(C)CC1 ZINC000022211749 171374105 /nfs/dbraw/zinc/37/41/05/171374105.db2.gz RZMNQRBDTPVNQZ-UHFFFAOYSA-N 0 3 276.384 1.233 10 10 CDCEHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000035628495 172307280 /nfs/dbraw/zinc/30/72/80/172307280.db2.gz XBPQETPZCAZBQF-MNOVXSKESA-N 0 3 269.366 1.538 10 10 CDCEHN CNCC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1 ZINC000040354960 174245561 /nfs/dbraw/zinc/24/55/61/174245561.db2.gz VACIVJVHFGTDIE-MRXNPFEDSA-N 0 3 296.374 1.922 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c([O-])c1 ZINC000185994213 262074969 /nfs/dbraw/zinc/07/49/69/262074969.db2.gz GRAKMQUMFLNHEN-VXGBXAGGSA-N 0 3 272.352 1.958 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000283814553 263084402 /nfs/dbraw/zinc/08/44/02/263084402.db2.gz BYQCHBJAUALLJJ-DZGCQCFKSA-N 0 3 281.396 1.948 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]CCc2nnc[nH]2)c1[O-] ZINC000228677523 329059283 /nfs/dbraw/zinc/05/92/83/329059283.db2.gz CZUZAYCVTSMAMS-UHFFFAOYSA-N 0 3 282.731 1.505 10 10 CDCEHN CCC[C@](C)(N)C(=O)NCCc1ccc(O)c(O)c1 ZINC000262575385 521275116 /nfs/dbraw/zinc/27/51/16/521275116.db2.gz OCXOZXUSIKUPHU-AWEZNQCLSA-N 0 3 266.341 1.274 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]CC1(O)CCCCC1)OCO2 ZINC000112204823 526336807 /nfs/dbraw/zinc/33/68/07/526336807.db2.gz YNJSUUIOTJBYSV-UHFFFAOYSA-N 0 3 279.336 1.906 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CCCSCC1)[C@H](O)CO2 ZINC000768438672 576282722 /nfs/dbraw/zinc/28/27/22/576282722.db2.gz DLEOIYRBZHJDPL-CYBMUJFWSA-N 0 3 281.377 1.757 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CCCSCC1)[C@H](O)CO2 ZINC000768438672 576282723 /nfs/dbraw/zinc/28/27/23/576282723.db2.gz DLEOIYRBZHJDPL-CYBMUJFWSA-N 0 3 281.377 1.757 10 10 CDCEHN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000918745968 632437374 /nfs/dbraw/zinc/43/73/74/632437374.db2.gz UWTDDGWSCKMOFY-MFKMUULPSA-N 0 3 293.367 1.293 10 10 CDCEHN C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1ccccc1[O-] ZINC001655347211 1171687508 /nfs/dbraw/zinc/68/75/08/1171687508.db2.gz SCHZWVZZHNCBSN-SECBINFHSA-N 0 3 265.313 1.018 10 10 CDCEHN C[C@@H]1[C@H](NC(=O)NCc2c([O-])cccc2F)CC[N@@H+]1C ZINC000925346018 758922492 /nfs/dbraw/zinc/92/24/92/758922492.db2.gz BBHYKLHNALNHEX-BXKDBHETSA-N 0 3 281.331 1.423 10 10 CDCEHN C[C@@H]1[C@H](NC(=O)NCc2c([O-])cccc2F)CC[N@H+]1C ZINC000925346018 758922509 /nfs/dbraw/zinc/92/25/09/758922509.db2.gz BBHYKLHNALNHEX-BXKDBHETSA-N 0 3 281.331 1.423 10 10 CDCEHN CO[C@@]1(C[NH2+][C@H](C)c2ccccc2[O-])CCS(=O)(=O)C1 ZINC000721220768 769258203 /nfs/dbraw/zinc/25/82/03/769258203.db2.gz ZZYUBNYONFZIOM-BXUZGUMPSA-N 0 3 299.392 1.247 10 10 CDCEHN COc1cc(N(C)C[C@@H]2CNCCO2)cc(OC)c1OC ZINC000852746763 770633545 /nfs/dbraw/zinc/63/35/45/770633545.db2.gz SAAHDCTZCAOLJU-LBPRGKRZSA-N 0 3 296.367 1.137 10 10 CDCEHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000812298225 770767332 /nfs/dbraw/zinc/76/73/32/770767332.db2.gz JBSCOWVQNHZYHO-BXUZGUMPSA-N 0 3 279.336 1.429 10 10 CDCEHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000812298225 770767369 /nfs/dbraw/zinc/76/73/69/770767369.db2.gz JBSCOWVQNHZYHO-BXUZGUMPSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1[NH3+] ZINC000300334665 771235773 /nfs/dbraw/zinc/23/57/73/771235773.db2.gz ANTFECHVKDRKQP-GZMMTYOYSA-N 0 3 285.185 1.934 10 10 CDCEHN CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000252731097 771578632 /nfs/dbraw/zinc/57/86/32/771578632.db2.gz OGNIRRIUDPYBMT-OLZOCXBDSA-N 0 3 264.369 1.764 10 10 CDCEHN CN(C)c1cc(F)c(CN[C@H]2C[C@H](C(N)=O)C2)cc1F ZINC000858247344 771713859 /nfs/dbraw/zinc/71/38/59/771713859.db2.gz UCDHVIRQVQUFCG-CZMCAQCFSA-N 0 3 283.322 1.384 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000840974617 772002497 /nfs/dbraw/zinc/00/24/97/772002497.db2.gz CYDXCWDWPQKTGF-MXTKCAFNSA-N 0 3 290.407 1.441 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)CC2 ZINC000834625172 772196792 /nfs/dbraw/zinc/19/67/92/772196792.db2.gz UYKSOATZFMRBNS-XJKSGUPXSA-N 0 3 277.364 1.758 10 10 CDCEHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCNC2=O)cc1 ZINC000850480463 772347910 /nfs/dbraw/zinc/34/79/10/772347910.db2.gz BODDLWVKDXFRKG-RISCZKNCSA-N 0 3 261.369 1.682 10 10 CDCEHN CO[C@@H](C[N@H+](C)Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000851840337 772564114 /nfs/dbraw/zinc/56/41/14/772564114.db2.gz CXGHUVVPUWLFAZ-HIFRSBDPSA-N 0 3 265.353 1.876 10 10 CDCEHN CO[C@@H](C[N@@H+](C)Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000851840337 772564121 /nfs/dbraw/zinc/56/41/21/772564121.db2.gz CXGHUVVPUWLFAZ-HIFRSBDPSA-N 0 3 265.353 1.876 10 10 CDCEHN CCOc1ccc(C[NH2+]CC[C@]2(O)CCOC2)c([O-])c1 ZINC000846048262 772578093 /nfs/dbraw/zinc/57/80/93/772578093.db2.gz FBKQYXZCXRNVQN-HNNXBMFYSA-N 0 3 281.352 1.422 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH+]1CCC(OCCCO)CC1 ZINC000779022907 772605157 /nfs/dbraw/zinc/60/51/57/772605157.db2.gz LCTDVBNREDGVCS-UHFFFAOYSA-N 0 3 283.343 1.895 10 10 CDCEHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCC[C@@H]2C1 ZINC000181048100 357307350 /nfs/dbraw/zinc/30/73/50/357307350.db2.gz LTJJTAZAQZPNJR-DIECRNLCSA-N 0 3 288.347 1.418 10 10 CDCEHN CN1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCC1=O ZINC000226610993 359703764 /nfs/dbraw/zinc/70/37/64/359703764.db2.gz NHJBZMIMUPPOOO-NSHDSACASA-N 0 3 252.289 1.242 10 10 CDCEHN CC[C@H](O)CN1CCN(Cc2ccccc2O)CC1 ZINC000179572971 391211534 /nfs/dbraw/zinc/21/15/34/391211534.db2.gz QRXPDMFBOVICGB-AWEZNQCLSA-N 0 3 264.369 1.281 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(C)=O)c1 ZINC000020148910 171037671 /nfs/dbraw/zinc/03/76/71/171037671.db2.gz TUIUMCVYIUHTMB-VIFPVBQESA-N 0 3 252.314 1.188 10 10 CDCEHN C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(O)cc1[O-] ZINC000037751535 173674389 /nfs/dbraw/zinc/67/43/89/173674389.db2.gz YKVPDAQXZZKXGU-SECBINFHSA-N 0 3 252.314 1.227 10 10 CDCEHN COc1ccc(Br)c([C@H]([NH3+])CO)c1[O-] ZINC000072199340 176340292 /nfs/dbraw/zinc/34/02/92/176340292.db2.gz XNFKHANEKWUMPE-ZCFIWIBFSA-N 0 3 262.103 1.155 10 10 CDCEHN O=C(c1cccc(O)c1[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000187073736 327942591 /nfs/dbraw/zinc/94/25/91/327942591.db2.gz JARMZVJJUMYGKE-UHFFFAOYSA-N 0 3 290.363 1.798 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530181888 333527371 /nfs/dbraw/zinc/52/73/71/333527371.db2.gz POTHWQFDITXFMW-GFCCVEGCSA-N 0 3 270.760 1.432 10 10 CDCEHN [O-]c1cc(O)ccc1C[NH2+]CCN1CCCCC1 ZINC000049574591 526344522 /nfs/dbraw/zinc/34/45/22/526344522.db2.gz FUDSHUATOVAMIX-UHFFFAOYSA-N 0 3 250.342 1.673 10 10 CDCEHN COC(=O)[C@@H]1CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000754728001 576912741 /nfs/dbraw/zinc/91/27/41/576912741.db2.gz UKLNESOXFQTPLJ-LLVKDONJSA-N 0 3 279.336 1.704 10 10 CDCEHN COc1cc(C)cc(CN2CCC(CC(N)=O)CC2)c1O ZINC000754727939 576912801 /nfs/dbraw/zinc/91/28/01/576912801.db2.gz SUMZRDOHKZTZNV-UHFFFAOYSA-N 0 3 292.379 1.797 10 10 CDCEHN CCN(C)c1ccc(CN2CCN(C)[C@@H](CO)C2)cc1 ZINC000931402643 617797500 /nfs/dbraw/zinc/79/75/00/617797500.db2.gz WAFZDMBZCACZIO-MRXNPFEDSA-N 0 3 277.412 1.251 10 10 CDCEHN COc1cccc(CNCc2c(C)ccnc2N)c1O ZINC000894765403 619051420 /nfs/dbraw/zinc/05/14/20/619051420.db2.gz HMZQTIDKHBSMGQ-UHFFFAOYSA-N 0 3 273.336 1.976 10 10 CDCEHN CC[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279949 625951418 /nfs/dbraw/zinc/95/14/18/625951418.db2.gz MDIIJDIYNAERJB-ZBFHGGJFSA-N 0 3 294.395 1.126 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724564011 773873706 /nfs/dbraw/zinc/87/37/06/773873706.db2.gz SQFONFLUGLOAIT-OXIQGZBJSA-N 0 3 263.337 1.847 10 10 CDCEHN [O-]c1ccccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000722840756 774143577 /nfs/dbraw/zinc/14/35/77/774143577.db2.gz UBZOMYRKDFPELL-UHFFFAOYSA-N 0 3 259.309 1.409 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000835046446 774392924 /nfs/dbraw/zinc/39/29/24/774392924.db2.gz JSAMOIBOLLWDGE-PIGHNIFASA-N 0 3 276.380 1.193 10 10 CDCEHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988586 774797677 /nfs/dbraw/zinc/79/76/77/774797677.db2.gz UEVWDSFQUIPSFY-JQWIXIFHSA-N 0 3 250.342 1.943 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)C1(O)CCCC1)c1ccccc1[O-] ZINC000931557585 776080199 /nfs/dbraw/zinc/08/01/99/776080199.db2.gz KKXPJOZGBRWQFR-FZMZJTMJSA-N 0 3 265.353 1.709 10 10 CDCEHN COc1ccc(N2CC[C@@H](NCc3cncnc3)C2)cc1 ZINC000850345743 776304550 /nfs/dbraw/zinc/30/45/50/776304550.db2.gz JKNNDMDZTXJQTN-CQSZACIVSA-N 0 3 284.363 1.854 10 10 CDCEHN C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1[O-] ZINC000866570115 776389735 /nfs/dbraw/zinc/38/97/35/776389735.db2.gz HKCWFROYWOIMSK-SNVBAGLBSA-N 0 3 286.397 1.358 10 10 CDCEHN CN(C)c1ccc(/C=C\CNC2COCCOC2)cc1 ZINC000835056648 776874601 /nfs/dbraw/zinc/87/46/01/776874601.db2.gz WLHUNNYUODVXCL-ARJAWSKDSA-N 0 3 276.380 1.771 10 10 CDCEHN C[C@H](N[C@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434972 776965171 /nfs/dbraw/zinc/96/51/71/776965171.db2.gz VIYMDBKXWLKXPT-CMPLNLGQSA-N 0 3 261.325 1.510 10 10 CDCEHN O=C1O[C@H](C[NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000848577808 777199200 /nfs/dbraw/zinc/19/92/00/777199200.db2.gz JURNDXPOUYLBPU-GFCCVEGCSA-N 0 3 262.309 1.465 10 10 CDCEHN C[C@H](NC[C@@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000126702436 777774742 /nfs/dbraw/zinc/77/47/42/777774742.db2.gz ZLGVDLGZGNHVHL-WFASDCNBSA-N 0 3 296.436 1.980 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000246951827 777839038 /nfs/dbraw/zinc/83/90/38/777839038.db2.gz UPJLPXRRYDMTNH-LSDHHAIUSA-N 0 3 295.379 1.381 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000246951827 777839042 /nfs/dbraw/zinc/83/90/42/777839042.db2.gz UPJLPXRRYDMTNH-LSDHHAIUSA-N 0 3 295.379 1.381 10 10 CDCEHN CCOc1ccc(O)c(CNCC(=O)N(CC)OC)c1 ZINC000842768854 778863860 /nfs/dbraw/zinc/86/38/60/778863860.db2.gz VYYBHAKEUIOWDR-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN Oc1cc2c(cc1CN1CC[C@@](O)(C(F)F)C1)OCO2 ZINC000824726980 778924580 /nfs/dbraw/zinc/92/45/80/778924580.db2.gz YOHKEVURONTEJT-ZDUSSCGKSA-N 0 3 287.262 1.323 10 10 CDCEHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)NC ZINC000697871256 909414078 /nfs/dbraw/zinc/41/40/78/909414078.db2.gz OEQTYYQOSCSDJB-KCJUWKMLSA-N 0 3 254.305 1.707 10 10 CDCEHN CCOc1ccc(O)c(CN(C)CCN(C)C(=O)OC)c1 ZINC000827334697 936587800 /nfs/dbraw/zinc/58/78/00/936587800.db2.gz GJYUESCPPYRYGJ-UHFFFAOYSA-N 0 3 296.367 1.921 10 10 CDCEHN COc1ccc(CN[C@@H](CO)CNC(=O)C(C)C)cc1C ZINC001485974562 920621811 /nfs/dbraw/zinc/62/18/11/920621811.db2.gz GCVHMNDOPREUCO-CQSZACIVSA-N 0 3 294.395 1.226 10 10 CDCEHN CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC ZINC000697901700 937287323 /nfs/dbraw/zinc/28/73/23/937287323.db2.gz AJMVVYHZEAGNAB-FZMZJTMJSA-N 0 3 263.385 1.928 10 10 CDCEHN CN1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001301811002 955978120 /nfs/dbraw/zinc/97/81/20/955978120.db2.gz FJHPMVFVEYCFAA-LBPRGKRZSA-N 0 3 289.339 1.673 10 10 CDCEHN [NH3+][C@@H](CO)c1ccc(OCc2ccccc2)cc1[O-] ZINC000072199277 356651894 /nfs/dbraw/zinc/65/18/94/356651894.db2.gz ZOIUCSRCGNCALA-AWEZNQCLSA-N 0 3 259.305 1.963 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180214845 357252382 /nfs/dbraw/zinc/25/23/82/357252382.db2.gz YJTDPRVQSMBEAG-CQSZACIVSA-N 0 3 282.359 1.420 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2cccc(C)c2O)CC1 ZINC000180518940 357274205 /nfs/dbraw/zinc/27/42/05/357274205.db2.gz NUZNKUJVLXPSIR-HNNXBMFYSA-N 0 3 278.396 1.589 10 10 CDCEHN COC[C@](C)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000271767571 364997524 /nfs/dbraw/zinc/99/75/24/364997524.db2.gz ASTHEMYXMJHGEU-HNNXBMFYSA-N 0 3 299.367 1.287 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000361390031 368794989 /nfs/dbraw/zinc/79/49/89/368794989.db2.gz LPAFFELXPULSGI-RAIGVLPGSA-N 0 3 260.337 1.491 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295143198 371135310 /nfs/dbraw/zinc/13/53/10/371135310.db2.gz QDPRHTRUDSECQC-ZBFHGGJFSA-N 0 3 276.380 1.606 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295143198 371135313 /nfs/dbraw/zinc/13/53/13/371135313.db2.gz QDPRHTRUDSECQC-ZBFHGGJFSA-N 0 3 276.380 1.606 10 10 CDCEHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-] ZINC000245939596 376341000 /nfs/dbraw/zinc/34/10/00/376341000.db2.gz TZGASPIUHOELAX-ZBFHGGJFSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-] ZINC000245939596 376341009 /nfs/dbraw/zinc/34/10/09/376341009.db2.gz TZGASPIUHOELAX-ZBFHGGJFSA-N 0 3 290.407 1.853 10 10 CDCEHN CCC[C@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C ZINC000182510310 391235806 /nfs/dbraw/zinc/23/58/06/391235806.db2.gz FVFMMTVUMSLDPS-LLVKDONJSA-N 0 3 266.341 1.444 10 10 CDCEHN COc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1O ZINC000120639348 412407909 /nfs/dbraw/zinc/40/79/09/412407909.db2.gz IALOJDNZRUGJCE-QWHCGFSZSA-N 0 3 294.395 1.288 10 10 CDCEHN C[C@]1(NC(=O)c2cccc(O)c2O)CN2CCC1CC2 ZINC000912378040 629950516 /nfs/dbraw/zinc/95/05/16/629950516.db2.gz PGPFMNOUSYGDSF-HNNXBMFYSA-N 0 3 276.336 1.312 10 10 CDCEHN C[NH+]1C[C@]2(C)CN(C(=O)c3cccc(O)c3[O-])C[C@@]2(C)C1 ZINC000913280499 630423510 /nfs/dbraw/zinc/42/35/10/630423510.db2.gz DMSMPKNMCPERCP-HZPDHXFCSA-N 0 3 290.363 1.512 10 10 CDCEHN C[C@H]1[C@@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000915518630 631758220 /nfs/dbraw/zinc/75/82/20/631758220.db2.gz XLODLBCZKJEHIK-JQWIXIFHSA-N 0 3 263.341 1.284 10 10 CDCEHN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCF ZINC001662430718 1172547843 /nfs/dbraw/zinc/54/78/43/1172547843.db2.gz XCEWGINLEGXUIH-VIFPVBQESA-N 0 3 295.318 1.526 10 10 CDCEHN CCOCc1cc(CNC[C@@H](O)[C@@H](C)O)ccc1OC ZINC000865742364 1164688812 /nfs/dbraw/zinc/68/88/12/1164688812.db2.gz YZBUMTWFQDFFFB-BXUZGUMPSA-N 0 3 283.368 1.063 10 10 CDCEHN CO[C@H](C[N@H+](C)Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000851840338 782940253 /nfs/dbraw/zinc/94/02/53/782940253.db2.gz CXGHUVVPUWLFAZ-UKRRQHHQSA-N 0 3 265.353 1.876 10 10 CDCEHN CO[C@H](C[N@@H+](C)Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000851840338 782940262 /nfs/dbraw/zinc/94/02/62/782940262.db2.gz CXGHUVVPUWLFAZ-UKRRQHHQSA-N 0 3 265.353 1.876 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000706772664 783024062 /nfs/dbraw/zinc/02/40/62/783024062.db2.gz AVJIAQPCSSBWSX-KDDOJWQBSA-N 0 3 255.289 1.332 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCNC2=O)c1[O-] ZINC000826770236 780629513 /nfs/dbraw/zinc/62/95/13/780629513.db2.gz VSRMSSQWYZIFGQ-JTQLQIEISA-N 0 3 254.717 1.332 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000714244213 780769101 /nfs/dbraw/zinc/76/91/01/780769101.db2.gz ATXZZUUMHRMFQD-SRVKXCTJSA-N 0 3 283.393 1.927 10 10 CDCEHN CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000862552271 781821933 /nfs/dbraw/zinc/82/19/33/781821933.db2.gz UWEALGIZLQBTBL-GFCCVEGCSA-N 0 3 298.408 1.153 10 10 CDCEHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000862552271 781821935 /nfs/dbraw/zinc/82/19/35/781821935.db2.gz UWEALGIZLQBTBL-GFCCVEGCSA-N 0 3 298.408 1.153 10 10 CDCEHN C[C@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccccc1[O-] ZINC001175418654 913598125 /nfs/dbraw/zinc/59/81/25/913598125.db2.gz NIVSORPCDUVLFW-VIFPVBQESA-N 0 3 261.277 1.902 10 10 CDCEHN C[C@@H](Cn1cncn1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834544189 936693135 /nfs/dbraw/zinc/69/31/35/936693135.db2.gz JBYIYXWOTFCQDX-JQWIXIFHSA-N 0 3 258.325 1.649 10 10 CDCEHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501697 931456273 /nfs/dbraw/zinc/45/62/73/931456273.db2.gz SHEIZOHGFXJGCV-HIFRSBDPSA-N 0 3 280.343 1.436 10 10 CDCEHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501697 931456276 /nfs/dbraw/zinc/45/62/76/931456276.db2.gz SHEIZOHGFXJGCV-HIFRSBDPSA-N 0 3 280.343 1.436 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1ccccc1[O-] ZINC000931554854 933586262 /nfs/dbraw/zinc/58/62/62/933586262.db2.gz SQFONFLUGLOAIT-OXJKWZBOSA-N 0 3 263.337 1.847 10 10 CDCEHN O=C1O[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CN1C1CC1 ZINC000848928250 969357535 /nfs/dbraw/zinc/35/75/35/969357535.db2.gz BHCCLBTYADYSJM-LBPRGKRZSA-N 0 3 280.299 1.604 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1[O-] ZINC000282500553 364127320 /nfs/dbraw/zinc/12/73/20/364127320.db2.gz WPNFMINNEVSAPY-KOLCDFICSA-N 0 3 264.325 1.158 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000183596988 391267022 /nfs/dbraw/zinc/26/70/22/391267022.db2.gz PJYPKRDXIBHVFA-MNOVXSKESA-N 0 3 258.325 1.649 10 10 CDCEHN COc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000362240816 391716468 /nfs/dbraw/zinc/71/64/68/391716468.db2.gz WHFCSRDUGWEMGU-SUHUHFCYSA-N 0 3 290.363 1.500 10 10 CDCEHN CC[C@@H](C)N[C@](C)(C(N)=O)c1ccc(N(C)C)cc1 ZINC000038064762 174075294 /nfs/dbraw/zinc/07/52/94/174075294.db2.gz GKBDHPTWXDZGIG-ABAIWWIYSA-N 0 3 263.385 1.841 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000091667034 260266378 /nfs/dbraw/zinc/26/63/78/260266378.db2.gz OAAHJUIPUSSOPU-AAEUAGOBSA-N 0 3 280.368 1.382 10 10 CDCEHN O[C@H](CNCc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000527762365 281180074 /nfs/dbraw/zinc/18/00/74/281180074.db2.gz ZOGRXHHJNNPUGE-HIFRSBDPSA-N 0 3 263.337 1.251 10 10 CDCEHN CCN(OC)C(=O)CNCc1cc(C)ccc1O ZINC000842769081 782060467 /nfs/dbraw/zinc/06/04/67/782060467.db2.gz IJGBDEDWEQYMEE-UHFFFAOYSA-N 0 3 252.314 1.200 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1[O-] ZINC000278989151 524872430 /nfs/dbraw/zinc/87/24/30/524872430.db2.gz ALIGPEIVOPXQDD-IINYFYTJSA-N 0 3 285.771 1.984 10 10 CDCEHN CCN(C)c1ccc(CN2CCN(CCO)[C@H](C)C2)cc1 ZINC000773864702 575842078 /nfs/dbraw/zinc/84/20/78/575842078.db2.gz WCUXSSMCPBXNNI-OAHLLOKOSA-N 0 3 291.439 1.641 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CCCSCC1)[C@@H](O)CO2 ZINC000768438673 576282806 /nfs/dbraw/zinc/28/28/06/576282806.db2.gz DLEOIYRBZHJDPL-ZDUSSCGKSA-N 0 3 281.377 1.757 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CCCSCC1)[C@@H](O)CO2 ZINC000768438673 576282808 /nfs/dbraw/zinc/28/28/08/576282808.db2.gz DLEOIYRBZHJDPL-ZDUSSCGKSA-N 0 3 281.377 1.757 10 10 CDCEHN CCN(C)c1ccc(CN2CCN(C)[C@H](CO)C2)cc1 ZINC000931402642 617797656 /nfs/dbraw/zinc/79/76/56/617797656.db2.gz WAFZDMBZCACZIO-INIZCTEOSA-N 0 3 277.412 1.251 10 10 CDCEHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000902925533 625639971 /nfs/dbraw/zinc/63/99/71/625639971.db2.gz MHYVQVVXZMFROH-IUODEOHRSA-N 0 3 290.411 1.644 10 10 CDCEHN COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000825752639 1165684278 /nfs/dbraw/zinc/68/42/78/1165684278.db2.gz GJGGAORGADGLFS-TVYUQYBPSA-N 0 3 279.336 1.688 10 10 CDCEHN CO[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000826822151 936441547 /nfs/dbraw/zinc/44/15/47/936441547.db2.gz LEGGXQHZNKASKZ-YGRLFVJLSA-N 0 3 269.316 1.672 10 10 CDCEHN CO[C@](C)(CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000702536718 922564214 /nfs/dbraw/zinc/56/42/14/922564214.db2.gz JSOHOTXBURGURF-FZMZJTMJSA-N 0 3 251.326 1.367 10 10 CDCEHN COc1ccc(O)c(CN2CCSC[C@H]2CCO)c1 ZINC000775737215 924954757 /nfs/dbraw/zinc/95/47/57/924954757.db2.gz KQSIZIYRGASQSU-GFCCVEGCSA-N 0 3 283.393 1.701 10 10 CDCEHN Cc1cc([O-])c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC000841080862 936974728 /nfs/dbraw/zinc/97/47/28/936974728.db2.gz RDHMXKBUMCTJAY-WOFXILAISA-N 0 3 252.745 1.661 10 10 CDCEHN CCOc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1 ZINC000841892401 937020895 /nfs/dbraw/zinc/02/08/95/937020895.db2.gz YIMQQNYOBQEXLO-VDISTLRHSA-N 0 3 251.326 1.794 10 10 CDCEHN C[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(F)ccc1[O-] ZINC000842901902 937091035 /nfs/dbraw/zinc/09/10/35/937091035.db2.gz LQIUOLFXLYNSMT-JTQLQIEISA-N 0 3 278.331 1.943 10 10 CDCEHN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843104739 937113117 /nfs/dbraw/zinc/11/31/17/937113117.db2.gz AOCQDORXWXOYTN-TXEJJXNPSA-N 0 3 250.317 1.858 10 10 CDCEHN [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843104739 937113119 /nfs/dbraw/zinc/11/31/19/937113119.db2.gz AOCQDORXWXOYTN-TXEJJXNPSA-N 0 3 250.317 1.858 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CCC3(COC3)C2)c1O ZINC000852682930 927841380 /nfs/dbraw/zinc/84/13/80/927841380.db2.gz CGXVXJKFUAEBMH-UHFFFAOYSA-N 0 3 279.311 1.956 10 10 CDCEHN [NH3+][C@@H]1CN(Cc2c([O-])cccc2Cl)CC[C@H]1F ZINC000853248420 927990203 /nfs/dbraw/zinc/99/02/03/927990203.db2.gz TUARJVACZHXRCJ-GHMZBOCLSA-N 0 3 258.724 1.917 10 10 CDCEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000690364406 928900893 /nfs/dbraw/zinc/90/08/93/928900893.db2.gz BGEQHLHKLDMZIS-JTQLQIEISA-N 0 3 278.352 1.700 10 10 CDCEHN COc1ccc(O)c(CN2CC[C@](O)(C(F)F)C2)c1 ZINC000824726803 931481402 /nfs/dbraw/zinc/48/14/02/931481402.db2.gz UWGLUWKYUSWJKX-CYBMUJFWSA-N 0 3 273.279 1.603 10 10 CDCEHN CCON(C)C(=O)CNCc1cc(Cl)cc(C)c1O ZINC000846062936 931972878 /nfs/dbraw/zinc/97/28/78/931972878.db2.gz DDXRVBNUORKQMP-UHFFFAOYSA-N 0 3 286.759 1.854 10 10 CDCEHN CCON(C)C(=O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000846062936 931972880 /nfs/dbraw/zinc/97/28/80/931972880.db2.gz DDXRVBNUORKQMP-UHFFFAOYSA-N 0 3 286.759 1.854 10 10 CDCEHN C[NH+](C)CCCCC(=O)NCc1c([O-])cccc1F ZINC000928704794 933172944 /nfs/dbraw/zinc/17/29/44/933172944.db2.gz CXGBIQSCUNGPLU-UHFFFAOYSA-N 0 3 268.332 1.879 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000192071223 358173553 /nfs/dbraw/zinc/17/35/53/358173553.db2.gz WSWXZSMHGKHZAJ-GWCFXTLKSA-N 0 3 251.326 1.915 10 10 CDCEHN COC[C@@](C)(CCO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000175851653 391141654 /nfs/dbraw/zinc/14/16/54/391141654.db2.gz SCKHEAKQZQCGPX-CQSZACIVSA-N 0 3 269.341 1.278 10 10 CDCEHN CCn1nc2c(cc1=O)CN(Cc1cc(C)ccc1O)CC2 ZINC000371326601 267390434 /nfs/dbraw/zinc/39/04/34/267390434.db2.gz JKGGOJHRSSVNKE-UHFFFAOYSA-N 0 3 299.374 1.836 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000084059454 525365619 /nfs/dbraw/zinc/36/56/19/525365619.db2.gz KPIFAUIFQKEJAT-RYUDHWBXSA-N 0 3 262.353 1.972 10 10 CDCEHN CN(C)c1ccc(CN[C@@H]2CNCCC2(F)F)cc1 ZINC000841074842 625777050 /nfs/dbraw/zinc/77/70/50/625777050.db2.gz HKMGJPGRBKMFMQ-CYBMUJFWSA-N 0 3 269.339 1.839 10 10 CDCEHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794388945 1162469977 /nfs/dbraw/zinc/46/99/77/1162469977.db2.gz CJTNRFDAXVAQML-CQSZACIVSA-N 0 3 292.379 1.891 10 10 CDCEHN COc1cccc(CNCc2cnc(C)nc2)c1O ZINC000809739947 1163080813 /nfs/dbraw/zinc/08/08/13/1163080813.db2.gz HROYRCPTERXETQ-UHFFFAOYSA-N 0 3 259.309 1.789 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000827595909 783777904 /nfs/dbraw/zinc/77/79/04/783777904.db2.gz SQCPGXAIGBBTIK-VXGBXAGGSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000827595909 783777911 /nfs/dbraw/zinc/77/79/11/783777911.db2.gz SQCPGXAIGBBTIK-VXGBXAGGSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC000847590797 783946995 /nfs/dbraw/zinc/94/69/95/783946995.db2.gz HTWVAEDBXLLGON-NWDGAFQWSA-N 0 3 292.379 1.920 10 10 CDCEHN Cc1ccc(O)c(CN2CCN(c3nncn3C)CC2)c1 ZINC000848925197 784627659 /nfs/dbraw/zinc/62/76/59/784627659.db2.gz QEZCTYUDHIXCTG-UHFFFAOYSA-N 0 3 287.367 1.151 10 10 CDCEHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000835049424 784646363 /nfs/dbraw/zinc/64/63/63/784646363.db2.gz IPQBGJYPHDOLBW-MUBLQREKSA-N 0 3 293.386 1.830 10 10 CDCEHN CN(C)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1F ZINC000827901798 784897094 /nfs/dbraw/zinc/89/70/94/784897094.db2.gz SSBPUWPTICQHRP-SNVBAGLBSA-N 0 3 293.264 1.398 10 10 CDCEHN CN1C[C@@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@]2(C)C1 ZINC000702405273 784946563 /nfs/dbraw/zinc/94/65/63/784946563.db2.gz MHDXRQCFGSWDPG-DOMZBBRYSA-N 0 3 264.344 1.915 10 10 CDCEHN CN1C[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@]2(C)C1 ZINC000702405273 784946573 /nfs/dbraw/zinc/94/65/73/784946573.db2.gz MHDXRQCFGSWDPG-DOMZBBRYSA-N 0 3 264.344 1.915 10 10 CDCEHN CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508350 785580128 /nfs/dbraw/zinc/58/01/28/785580128.db2.gz MUHYQDRNPUJBDG-ZBFHGGJFSA-N 0 3 295.379 1.601 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@]1(CCO)CCOC1)CC2 ZINC000834625166 786045571 /nfs/dbraw/zinc/04/55/71/786045571.db2.gz UYKSOATZFMRBNS-BBRMVZONSA-N 0 3 277.364 1.758 10 10 CDCEHN C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC000313076850 786866655 /nfs/dbraw/zinc/86/66/55/786866655.db2.gz WJYFDWVXJHLAQF-QWRGUYRKSA-N 0 3 276.336 1.122 10 10 CDCEHN C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC000313076850 786866657 /nfs/dbraw/zinc/86/66/57/786866657.db2.gz WJYFDWVXJHLAQF-QWRGUYRKSA-N 0 3 276.336 1.122 10 10 CDCEHN C[NH2+]CCOCCN(C)Cc1c([O-])ccc(Cl)c1F ZINC000863646084 787802637 /nfs/dbraw/zinc/80/26/37/787802637.db2.gz ATSLEXXQBPZZHC-UHFFFAOYSA-N 0 3 290.766 1.853 10 10 CDCEHN C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000715273103 788525779 /nfs/dbraw/zinc/52/57/79/788525779.db2.gz IBJSXSJPUAKJLC-KPPDAEKUSA-N 0 3 269.366 1.618 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000724612932 788838016 /nfs/dbraw/zinc/83/80/16/788838016.db2.gz NIVRTVXTIUSHGP-OSFYFWSMSA-N 0 3 275.348 1.773 10 10 CDCEHN CCOc1cccc(CNCc2nc(COC)n[nH]2)c1O ZINC000850360305 789053250 /nfs/dbraw/zinc/05/32/50/789053250.db2.gz GQTKJXATDIAPKM-UHFFFAOYSA-N 0 3 292.339 1.345 10 10 CDCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCO)c1[O-] ZINC000848518774 789147058 /nfs/dbraw/zinc/14/70/58/789147058.db2.gz LTNQVNCIPXLQHJ-ZETCQYMHSA-N 0 3 290.157 1.806 10 10 CDCEHN CCN(C)c1ccc(CN2CCOC[C@H](O)C2)cc1 ZINC000830638490 789284249 /nfs/dbraw/zinc/28/42/49/789284249.db2.gz GZNYJYUPNGOKGO-OAHLLOKOSA-N 0 3 264.369 1.336 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000858279075 789381655 /nfs/dbraw/zinc/38/16/55/789381655.db2.gz PURAZAYXJRUYMQ-CYBMUJFWSA-N 0 3 277.368 1.594 10 10 CDCEHN COC[C@@H](CC[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000694258584 898223913 /nfs/dbraw/zinc/22/39/13/898223913.db2.gz WEXQHIQGKUHEPL-GFCCVEGCSA-N 0 3 257.305 1.672 10 10 CDCEHN CC(C)N(C)CC(=O)NCc1cccc(O)c1O ZINC001520510605 970194543 /nfs/dbraw/zinc/19/45/43/970194543.db2.gz ZNALFAFAAMWDFW-UHFFFAOYSA-N 0 3 252.314 1.054 10 10 CDCEHN CCOC(=O)C(=[N+]=[N-])c1nnc(-c2ccccc2)o1 ZINC000096833163 342440463 /nfs/dbraw/zinc/44/04/63/342440463.db2.gz VZCVJFYWYSHNJP-UHFFFAOYSA-N 0 3 259.245 1.328 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000374895587 370765557 /nfs/dbraw/zinc/76/55/57/370765557.db2.gz NGPGGKJTAHZLII-ICCXJUOJSA-N 0 3 278.327 1.630 10 10 CDCEHN Cc1cccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295160560 371138535 /nfs/dbraw/zinc/13/85/35/371138535.db2.gz SDLTVTDYUUHILC-CABCVRRESA-N 0 3 276.380 1.606 10 10 CDCEHN Cc1cccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295160560 371138541 /nfs/dbraw/zinc/13/85/41/371138541.db2.gz SDLTVTDYUUHILC-CABCVRRESA-N 0 3 276.380 1.606 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000371405383 390947093 /nfs/dbraw/zinc/94/70/93/390947093.db2.gz CVMUZEPAFLUJLU-XJKSGUPXSA-N 0 3 293.363 1.829 10 10 CDCEHN CCN(CC)c1ccc(CNC[C@H]2CN(C)CCO2)cc1 ZINC000105472070 391064664 /nfs/dbraw/zinc/06/46/64/391064664.db2.gz LQNRHAMZSKOIIS-KRWDZBQOSA-N 0 3 291.439 1.953 10 10 CDCEHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1N1CCOCC1 ZINC000179584602 391213241 /nfs/dbraw/zinc/21/32/41/391213241.db2.gz ZCSDLLJSIIQVTL-ZFWWWQNUSA-N 0 3 276.380 1.545 10 10 CDCEHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1N1CCOCC1 ZINC000179584602 391213242 /nfs/dbraw/zinc/21/32/42/391213242.db2.gz ZCSDLLJSIIQVTL-ZFWWWQNUSA-N 0 3 276.380 1.545 10 10 CDCEHN [O-]c1ccccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000163137077 392941824 /nfs/dbraw/zinc/94/18/24/392941824.db2.gz FQVROXFUDDEIDY-DZGCQCFKSA-N 0 3 263.337 1.820 10 10 CDCEHN CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091667598 260266274 /nfs/dbraw/zinc/26/62/74/260266274.db2.gz SMUVVTHMTHSOKV-OCCSQVGLSA-N 0 3 264.369 1.764 10 10 CDCEHN CCC[C@@](C)(N)C(=O)NCCc1ccc(O)c(O)c1 ZINC000262575394 520918891 /nfs/dbraw/zinc/91/88/91/520918891.db2.gz OCXOZXUSIKUPHU-CQSZACIVSA-N 0 3 266.341 1.274 10 10 CDCEHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1[O-] ZINC000282510050 521371400 /nfs/dbraw/zinc/37/14/00/521371400.db2.gz XJDIGYDNCXENDQ-ZYHUDNBSSA-N 0 3 278.352 1.548 10 10 CDCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000084059443 525361902 /nfs/dbraw/zinc/36/19/02/525361902.db2.gz KPIFAUIFQKEJAT-VXGBXAGGSA-N 0 3 262.353 1.972 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000094618044 525677645 /nfs/dbraw/zinc/67/76/45/525677645.db2.gz SAOLLOJTCPLYOU-KCJUWKMLSA-N 0 3 252.289 1.461 10 10 CDCEHN NC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846098 575065609 /nfs/dbraw/zinc/06/56/09/575065609.db2.gz RESHPIIGHIDNFY-UHFFFAOYSA-N 0 3 291.351 1.332 10 10 CDCEHN NC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846098 575065610 /nfs/dbraw/zinc/06/56/10/575065610.db2.gz RESHPIIGHIDNFY-UHFFFAOYSA-N 0 3 291.351 1.332 10 10 CDCEHN CCN(C)c1ccc(CN2CCN(CCO)[C@@H](C)C2)cc1 ZINC000773864701 575842182 /nfs/dbraw/zinc/84/21/82/575842182.db2.gz WCUXSSMCPBXNNI-HNNXBMFYSA-N 0 3 291.439 1.641 10 10 CDCEHN COc1cc([O-])c(C[NH2+]CC[C@@H]2CCOC2)cc1OC ZINC000753588987 577178642 /nfs/dbraw/zinc/17/86/42/577178642.db2.gz HAXBNNBVOCNYRP-LLVKDONJSA-N 0 3 281.352 1.926 10 10 CDCEHN O=C1C[C@H](CC[NH2+][C@@H]2CCc3cccc([O-])c32)CN1 ZINC000926980339 621641058 /nfs/dbraw/zinc/64/10/58/621641058.db2.gz PGFIGQCLCUCTAD-CMPLNLGQSA-N 0 3 260.337 1.495 10 10 CDCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2nnnn2C)c1[O-] ZINC000808703332 1162897103 /nfs/dbraw/zinc/89/71/03/1162897103.db2.gz KURURBFTZRALQY-SECBINFHSA-N 0 3 295.774 1.771 10 10 CDCEHN C[C@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284985 790801892 /nfs/dbraw/zinc/80/18/92/790801892.db2.gz XHFWNYQZIHVFJB-RISCZKNCSA-N 0 3 251.301 2.000 10 10 CDCEHN C[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284985 790801893 /nfs/dbraw/zinc/80/18/93/790801893.db2.gz XHFWNYQZIHVFJB-RISCZKNCSA-N 0 3 251.301 2.000 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000822520683 790837615 /nfs/dbraw/zinc/83/76/15/790837615.db2.gz LMKRVWKFMGMQRO-NSHDSACASA-N 0 3 296.754 1.591 10 10 CDCEHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(OC)C2=O)c1 ZINC000930216667 789979797 /nfs/dbraw/zinc/97/97/97/789979797.db2.gz NDWAFHVRCYAPSS-CABZTGNLSA-N 0 3 280.324 1.214 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827595907 790051113 /nfs/dbraw/zinc/05/11/13/790051113.db2.gz SQCPGXAIGBBTIK-RYUDHWBXSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827595907 790051117 /nfs/dbraw/zinc/05/11/17/790051117.db2.gz SQCPGXAIGBBTIK-RYUDHWBXSA-N 0 3 263.337 1.869 10 10 CDCEHN [NH3+]C[C@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000848714101 790066640 /nfs/dbraw/zinc/06/66/40/790066640.db2.gz GEYXPQVWDURLNC-VIFPVBQESA-N 0 3 252.211 1.511 10 10 CDCEHN COc1cccc([C@H](C)NCc2ccnn2C)c1O ZINC000846138832 791528970 /nfs/dbraw/zinc/52/89/70/791528970.db2.gz IFDILDVPIXAQTP-JTQLQIEISA-N 0 3 261.325 1.985 10 10 CDCEHN C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834543992 791728094 /nfs/dbraw/zinc/72/80/94/791728094.db2.gz JBYIYXWOTFCQDX-CMPLNLGQSA-N 0 3 258.325 1.649 10 10 CDCEHN COc1ccc(O)c(CNC[C@H](O)C(F)(F)F)c1 ZINC000224554306 792387669 /nfs/dbraw/zinc/38/76/69/792387669.db2.gz QWUJFWOYJVCTTI-JTQLQIEISA-N 0 3 265.231 1.414 10 10 CDCEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000049226476 792427957 /nfs/dbraw/zinc/42/79/57/792427957.db2.gz JVNVRBTXBQUZFZ-CYBMUJFWSA-N 0 3 262.357 1.875 10 10 CDCEHN CCOc1ccc(CNCC(=O)N(C)OCC)c(O)c1 ZINC000846062324 793714371 /nfs/dbraw/zinc/71/43/71/793714371.db2.gz FIKRQFYQTXDWMW-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN CCOc1ccc(C[NH2+]CC(=O)N(C)OCC)c([O-])c1 ZINC000846062324 793714384 /nfs/dbraw/zinc/71/43/84/793714384.db2.gz FIKRQFYQTXDWMW-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(F)ccc1[O-] ZINC000842901903 794221136 /nfs/dbraw/zinc/22/11/36/794221136.db2.gz LQIUOLFXLYNSMT-SNVBAGLBSA-N 0 3 278.331 1.943 10 10 CDCEHN COc1ccc(CNC2CN(c3ccncn3)C2)cc1C ZINC000865748838 794248876 /nfs/dbraw/zinc/24/88/76/794248876.db2.gz FVEVNWLPSWJUSS-UHFFFAOYSA-N 0 3 284.363 1.772 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CCC(=O)N(C)CC1 ZINC000827358892 795253581 /nfs/dbraw/zinc/25/35/81/795253581.db2.gz GAYYFUAGJYDAKB-UHFFFAOYSA-N 0 3 264.325 1.065 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000827358892 795253589 /nfs/dbraw/zinc/25/35/89/795253589.db2.gz GAYYFUAGJYDAKB-UHFFFAOYSA-N 0 3 264.325 1.065 10 10 CDCEHN C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866523208 795857835 /nfs/dbraw/zinc/85/78/35/795857835.db2.gz COQBVMYVTGTLHZ-XHDPSFHLSA-N 0 3 292.335 1.264 10 10 CDCEHN CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)N(C)C ZINC001178912679 915686438 /nfs/dbraw/zinc/68/64/38/915686438.db2.gz WJSNSMWHHGUJPX-ZDUSSCGKSA-N 0 3 266.341 1.300 10 10 CDCEHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377339 936518013 /nfs/dbraw/zinc/51/80/13/936518013.db2.gz IXIXJQAUBHMJBY-DGCLKSJQSA-N 0 3 290.363 1.654 10 10 CDCEHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377339 936518016 /nfs/dbraw/zinc/51/80/16/936518016.db2.gz IXIXJQAUBHMJBY-DGCLKSJQSA-N 0 3 290.363 1.654 10 10 CDCEHN CCN1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000307899393 940968075 /nfs/dbraw/zinc/96/80/75/940968075.db2.gz QKGZVQHYKCQUFD-UHFFFAOYSA-N 0 3 264.325 1.266 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]CCOCCCO)c1[O-] ZINC001327419615 954873206 /nfs/dbraw/zinc/87/32/06/954873206.db2.gz WKUCKOISHSNQPV-UHFFFAOYSA-N 0 3 289.759 1.543 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([O-])cs3)[C@H]2C1 ZINC001347596413 965611730 /nfs/dbraw/zinc/61/17/30/965611730.db2.gz FAKZTQHNMMYZRQ-LSJOCFKGSA-N 0 3 266.366 1.524 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([O-])cs3)[C@H]2C1 ZINC001347596413 965611735 /nfs/dbraw/zinc/61/17/35/965611735.db2.gz FAKZTQHNMMYZRQ-LSJOCFKGSA-N 0 3 266.366 1.524 10 10 CDCEHN CCOCCOc1ccc(N2CCNCC2)c(F)c1 ZINC000087439239 345703692 /nfs/dbraw/zinc/70/36/92/345703692.db2.gz WZDXKLBKPWHVEH-UHFFFAOYSA-N 0 3 268.332 1.651 10 10 CDCEHN COc1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1C ZINC000077900605 356958613 /nfs/dbraw/zinc/95/86/13/356958613.db2.gz VFJGGALCMIEJDD-ZDUSSCGKSA-N 0 3 262.353 1.714 10 10 CDCEHN CN1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCC1=O ZINC000297750999 283246032 /nfs/dbraw/zinc/24/60/32/283246032.db2.gz OJXQWGPYGFMYBM-VXGBXAGGSA-N 0 3 260.337 1.590 10 10 CDCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccccc1[O-] ZINC000373586343 391124071 /nfs/dbraw/zinc/12/40/71/391124071.db2.gz SDPVNDFGXCSHBG-ZIAGYGMSSA-N 0 3 293.363 1.935 10 10 CDCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccccc1[O-] ZINC000373586343 391124075 /nfs/dbraw/zinc/12/40/75/391124075.db2.gz SDPVNDFGXCSHBG-ZIAGYGMSSA-N 0 3 293.363 1.935 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195008010 391373826 /nfs/dbraw/zinc/37/38/26/391373826.db2.gz UQQNYANVHWBUSQ-QPUJVOFHSA-N 0 3 282.771 1.968 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(O)cc1[O-] ZINC000038060432 174070515 /nfs/dbraw/zinc/07/05/15/174070515.db2.gz MXGPZCCTJGJCOW-ONGXEEELSA-N 0 3 253.298 1.164 10 10 CDCEHN COc1cccc(CN2CCSC[C@H]2CCO)c1O ZINC000770304999 575437445 /nfs/dbraw/zinc/43/74/45/575437445.db2.gz PPQNIUXMCRJCFP-GFCCVEGCSA-N 0 3 283.393 1.701 10 10 CDCEHN C[N@@H+]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914391673 631401569 /nfs/dbraw/zinc/40/15/69/631401569.db2.gz LJVMWXMTNPFTRE-JTQLQIEISA-N 0 3 281.331 1.425 10 10 CDCEHN C[N@H+]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914391673 631401572 /nfs/dbraw/zinc/40/15/72/631401572.db2.gz LJVMWXMTNPFTRE-JTQLQIEISA-N 0 3 281.331 1.425 10 10 CDCEHN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)NC ZINC000835055353 796807951 /nfs/dbraw/zinc/80/79/51/796807951.db2.gz VCOTYDJEJQEPCM-LFAOLKIESA-N 0 3 275.396 1.880 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CNCC[C@@H]2C)c1 ZINC000817969239 797056739 /nfs/dbraw/zinc/05/67/39/797056739.db2.gz SOFDDFRDBOQYOA-MJVIPROJSA-N 0 3 292.379 1.827 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817969239 797056754 /nfs/dbraw/zinc/05/67/54/797056754.db2.gz SOFDDFRDBOQYOA-MJVIPROJSA-N 0 3 292.379 1.827 10 10 CDCEHN CCOC(=O)COCC[N@H+](C)Cc1ccccc1[O-] ZINC000809575416 797225356 /nfs/dbraw/zinc/22/53/56/797225356.db2.gz BZZJFMWPBLGTOH-UHFFFAOYSA-N 0 3 267.325 1.404 10 10 CDCEHN CCOC(=O)COCC[N@@H+](C)Cc1ccccc1[O-] ZINC000809575416 797225397 /nfs/dbraw/zinc/22/53/97/797225397.db2.gz BZZJFMWPBLGTOH-UHFFFAOYSA-N 0 3 267.325 1.404 10 10 CDCEHN COCCC1CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000826899222 797324899 /nfs/dbraw/zinc/32/48/99/797324899.db2.gz GPTLAJVOIKPEKH-UHFFFAOYSA-N 0 3 281.352 1.878 10 10 CDCEHN C[N@@H+]1CCN(C(=O)c2cccc(O)c2[O-])CCC1(C)C ZINC000712654969 797377570 /nfs/dbraw/zinc/37/75/70/797377570.db2.gz CCPTUFNAFUSWNH-UHFFFAOYSA-N 0 3 278.352 1.654 10 10 CDCEHN C[N@H+]1CCN(C(=O)c2cccc(O)c2[O-])CCC1(C)C ZINC000712654969 797377579 /nfs/dbraw/zinc/37/75/79/797377579.db2.gz CCPTUFNAFUSWNH-UHFFFAOYSA-N 0 3 278.352 1.654 10 10 CDCEHN CCN1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000182388955 797524480 /nfs/dbraw/zinc/52/44/80/797524480.db2.gz COLWLIUITRKVQC-LLVKDONJSA-N 0 3 278.352 1.620 10 10 CDCEHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000851654618 797639059 /nfs/dbraw/zinc/63/90/59/797639059.db2.gz GIZRRUKVOBIVGW-ZIAGYGMSSA-N 0 3 294.374 1.333 10 10 CDCEHN COc1ccc(N(CC2CC2)C[C@H]2CNCCO2)cc1 ZINC000866672285 797804473 /nfs/dbraw/zinc/80/44/73/797804473.db2.gz IHMJLDACAAPERX-MRXNPFEDSA-N 0 3 276.380 1.900 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OC ZINC000808733195 913054041 /nfs/dbraw/zinc/05/40/41/913054041.db2.gz RXPRIBFBUWWVLR-HNNXBMFYSA-N 0 3 281.352 1.528 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OC ZINC000808733195 913054053 /nfs/dbraw/zinc/05/40/53/913054053.db2.gz RXPRIBFBUWWVLR-HNNXBMFYSA-N 0 3 281.352 1.528 10 10 CDCEHN Cc1cc(N(C)C)ccc1CNC(=O)C(N)C(F)(F)F ZINC000829764542 936431054 /nfs/dbraw/zinc/43/10/54/936431054.db2.gz OGUBBNVQQHBVQR-NSHDSACASA-N 0 3 289.301 1.567 10 10 CDCEHN CCN1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835055715 936715491 /nfs/dbraw/zinc/71/54/91/936715491.db2.gz YCMNIRKIQUGLQR-IYKSTZQJSA-N 0 3 287.407 1.976 10 10 CDCEHN CO[C@@H]1COC[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000839194998 936908215 /nfs/dbraw/zinc/90/82/15/936908215.db2.gz DODNZLIZXUGDDC-CGFBPQRUSA-N 0 3 276.380 1.769 10 10 CDCEHN CO[C@@H]1COC[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000839194999 936908613 /nfs/dbraw/zinc/90/86/13/936908613.db2.gz DODNZLIZXUGDDC-XETQRACLSA-N 0 3 276.380 1.769 10 10 CDCEHN COc1cccc(O)c1CN[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000850368408 927422160 /nfs/dbraw/zinc/42/21/60/927422160.db2.gz MKMXPYUCJOSNCV-GHMZBOCLSA-N 0 3 299.392 1.456 10 10 CDCEHN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccnn2C)c(O)c1 ZINC000858434816 928860093 /nfs/dbraw/zinc/86/00/93/928860093.db2.gz QDMDJLKLSDYVMX-YPMHNXCESA-N 0 3 275.352 1.818 10 10 CDCEHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000824583483 931470844 /nfs/dbraw/zinc/47/08/44/931470844.db2.gz MTMLBVIREJVYAU-CQSZACIVSA-N 0 3 264.369 1.329 10 10 CDCEHN C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000846190015 931991008 /nfs/dbraw/zinc/99/10/08/931991008.db2.gz ONBLXHMTYRUYBT-CKEKPRIKSA-N 0 3 278.327 1.933 10 10 CDCEHN C[C@@H]1CCN(CC(=O)NCc2cc(O)ccc2O)C1 ZINC001455350126 968686579 /nfs/dbraw/zinc/68/65/79/968686579.db2.gz AXWYAZKBSICLJA-SNVBAGLBSA-N 0 3 264.325 1.056 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@](C)(CO)OC)c([O-])c1 ZINC000848560871 969173772 /nfs/dbraw/zinc/17/37/72/969173772.db2.gz RRQFPAWGNLKFPW-CQSZACIVSA-N 0 3 269.341 1.278 10 10 CDCEHN Cc1cccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O ZINC000180084517 357242520 /nfs/dbraw/zinc/24/25/20/357242520.db2.gz VTJUQYUOMNXPGJ-ZIAGYGMSSA-N 0 3 278.396 1.588 10 10 CDCEHN Cc1cccc(C[NH2+]C[C@@H]2CN(C)CCO2)c1[O-] ZINC000124809758 360401970 /nfs/dbraw/zinc/40/19/70/360401970.db2.gz YGIIGEXMARLWIA-CYBMUJFWSA-N 0 3 250.342 1.121 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295200627 371146325 /nfs/dbraw/zinc/14/63/25/371146325.db2.gz YRKMUKRXLOILGY-HIFRSBDPSA-N 0 3 262.353 1.297 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295200627 371146326 /nfs/dbraw/zinc/14/63/26/371146326.db2.gz YRKMUKRXLOILGY-HIFRSBDPSA-N 0 3 262.353 1.297 10 10 CDCEHN Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c([O-])c1O ZINC000182594722 391237177 /nfs/dbraw/zinc/23/71/77/391237177.db2.gz OLHRHVUFVZNFPX-WCQYABFASA-N 0 3 292.379 1.865 10 10 CDCEHN Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([O-])c1O ZINC000182594722 391237183 /nfs/dbraw/zinc/23/71/83/391237183.db2.gz OLHRHVUFVZNFPX-WCQYABFASA-N 0 3 292.379 1.865 10 10 CDCEHN CC[C@H](O)CN1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000180163658 261843549 /nfs/dbraw/zinc/84/35/49/261843549.db2.gz OZOXOORFOQGLJJ-AWEZNQCLSA-N 0 3 294.395 1.289 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180233965 329218691 /nfs/dbraw/zinc/21/86/91/329218691.db2.gz YBGDGHIRDULDLV-GOEBONIOSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180233965 329218693 /nfs/dbraw/zinc/21/86/93/329218693.db2.gz YBGDGHIRDULDLV-GOEBONIOSA-N 0 3 290.407 1.853 10 10 CDCEHN CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000040906847 1159754621 /nfs/dbraw/zinc/75/46/21/1159754621.db2.gz XLSGRQLLPBNEOI-CYBMUJFWSA-N 0 3 264.369 1.975 10 10 CDCEHN O[C@@H](CNCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000771974676 575644242 /nfs/dbraw/zinc/64/42/42/575644242.db2.gz BUUFFWBKTAGGGL-HNNXBMFYSA-N 0 3 270.332 1.840 10 10 CDCEHN CCOc1ccc(C[NH2+]C2(CCO)CCOCC2)c([O-])c1 ZINC000761992650 576610923 /nfs/dbraw/zinc/61/09/23/576610923.db2.gz GBHCAMHZPHVHKI-UHFFFAOYSA-N 0 3 295.379 1.812 10 10 CDCEHN Cc1cc([O-])c(CNC[C@@H](O)C[NH+]2CCCC2)c(Cl)c1 ZINC000840884232 617529023 /nfs/dbraw/zinc/52/90/23/617529023.db2.gz KULGFHYQDHWICM-GFCCVEGCSA-N 0 3 298.814 1.900 10 10 CDCEHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000809703573 1163072480 /nfs/dbraw/zinc/07/24/80/1163072480.db2.gz NGHFVERPFHSKTO-VIFPVBQESA-N 0 3 287.356 1.587 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)CN2CC[C@H](C)C2)c1 ZINC000862756465 811735413 /nfs/dbraw/zinc/73/54/13/811735413.db2.gz YSBVJTRXQMIBDS-LBPRGKRZSA-N 0 3 262.353 1.659 10 10 CDCEHN COCCN(Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000786187462 813636023 /nfs/dbraw/zinc/63/60/23/813636023.db2.gz UMOAKNPTRNOAFA-MRXNPFEDSA-N 0 3 278.396 1.990 10 10 CDCEHN C[C@@H](NC[C@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000126703178 813883720 /nfs/dbraw/zinc/88/37/20/813883720.db2.gz ZLGVDLGZGNHVHL-IUODEOHRSA-N 0 3 296.436 1.980 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801524041 814032348 /nfs/dbraw/zinc/03/23/48/814032348.db2.gz YCCVKBWRLMPVNZ-GFCCVEGCSA-N 0 3 298.408 1.106 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801524041 814032358 /nfs/dbraw/zinc/03/23/58/814032358.db2.gz YCCVKBWRLMPVNZ-GFCCVEGCSA-N 0 3 298.408 1.106 10 10 CDCEHN CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1C ZINC000840910834 814085568 /nfs/dbraw/zinc/08/55/68/814085568.db2.gz MVVQKVLZPOTBQF-OAHLLOKOSA-N 0 3 275.396 1.771 10 10 CDCEHN CC[S@@](=O)CCNCc1ccc(OC)c(C)c1 ZINC000134735546 814360767 /nfs/dbraw/zinc/36/07/67/814360767.db2.gz RDYYJISJSGZBPT-KRWDZBQOSA-N 0 3 255.383 1.862 10 10 CDCEHN COCC[N@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000787336116 816914378 /nfs/dbraw/zinc/91/43/78/816914378.db2.gz YZSDWRDSAQEOBB-ZDUSSCGKSA-N 0 3 251.326 1.630 10 10 CDCEHN COCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000787336116 816914395 /nfs/dbraw/zinc/91/43/95/816914395.db2.gz YZSDWRDSAQEOBB-ZDUSSCGKSA-N 0 3 251.326 1.630 10 10 CDCEHN Oc1cc2c(cc1CN1CC[C@](O)(C(F)F)C1)OCO2 ZINC000824726979 817002415 /nfs/dbraw/zinc/00/24/15/817002415.db2.gz YOHKEVURONTEJT-CYBMUJFWSA-N 0 3 287.262 1.323 10 10 CDCEHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000825752635 817382822 /nfs/dbraw/zinc/38/28/22/817382822.db2.gz GJGGAORGADGLFS-JIMOISOXSA-N 0 3 279.336 1.688 10 10 CDCEHN O=[S@@](CC[NH2+]Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000826866551 817601990 /nfs/dbraw/zinc/60/19/90/817601990.db2.gz CHLOBDNIJGTNHX-IBGZPJMESA-N 0 3 299.289 1.932 10 10 CDCEHN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(C2CC2)C1 ZINC000790890420 817708066 /nfs/dbraw/zinc/70/80/66/817708066.db2.gz VJDNAGCKBWIIGX-LLVKDONJSA-N 0 3 276.336 1.407 10 10 CDCEHN CCc1cccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000848918579 817756739 /nfs/dbraw/zinc/75/67/39/817756739.db2.gz DWIXXWAZSIJZEP-LXIYXOSZSA-N 0 3 265.378 1.660 10 10 CDCEHN CCOc1cccc(CN2CC[C@H](NC(N)=O)C2)c1O ZINC000690730825 896549982 /nfs/dbraw/zinc/54/99/82/896549982.db2.gz GJRGOHIPQCQEMV-NSHDSACASA-N 0 3 279.340 1.034 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CCC(CO)(CO)C2)cc1 ZINC000827474977 936594027 /nfs/dbraw/zinc/59/40/27/936594027.db2.gz QOPYLPFIVWTJIN-ONEGZZNKSA-N 0 3 290.407 1.443 10 10 CDCEHN O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000228512210 936889722 /nfs/dbraw/zinc/88/97/22/936889722.db2.gz SCVJWNFNUPOUIW-NEPJUHHUSA-N 0 3 276.336 1.454 10 10 CDCEHN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000228512210 936889726 /nfs/dbraw/zinc/88/97/26/936889726.db2.gz SCVJWNFNUPOUIW-NEPJUHHUSA-N 0 3 276.336 1.454 10 10 CDCEHN C[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000853237301 927991215 /nfs/dbraw/zinc/99/12/15/927991215.db2.gz VSBKJQDFDKIDBM-UJNFCWOMSA-N 0 3 264.300 1.558 10 10 CDCEHN CNC(=O)[C@@H](NCc1ccc2c(c1)CCO2)C(C)C ZINC000785588506 929157883 /nfs/dbraw/zinc/15/78/83/929157883.db2.gz DWGTYSUYFGURMF-AWEZNQCLSA-N 0 3 262.353 1.482 10 10 CDCEHN CCCC(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC001507169170 975362915 /nfs/dbraw/zinc/36/29/15/975362915.db2.gz YJOYFMLQTOKIHY-CQSZACIVSA-N 0 3 294.395 1.370 10 10 CDCEHN C[C@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000245760711 361916481 /nfs/dbraw/zinc/91/64/81/361916481.db2.gz PPZJJZCDYSQZFO-CABCVRRESA-N 0 3 291.439 1.640 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CC2(O)CCOCC2)c1[O-] ZINC000271822265 365001212 /nfs/dbraw/zinc/00/12/12/365001212.db2.gz CLNGONNYBAKYKR-UHFFFAOYSA-N 0 3 285.771 1.985 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](CCO)CCCO)c1[O-] ZINC000271716058 364994485 /nfs/dbraw/zinc/99/44/85/364994485.db2.gz IOFVXHJVNIKRJN-UHFFFAOYSA-N 0 3 273.760 1.531 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](CCO)CCCO)c1[O-] ZINC000271716058 364994492 /nfs/dbraw/zinc/99/44/92/364994492.db2.gz IOFVXHJVNIKRJN-UHFFFAOYSA-N 0 3 273.760 1.531 10 10 CDCEHN C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000273594215 365510778 /nfs/dbraw/zinc/51/07/78/365510778.db2.gz QCZVSBXNRHQUHU-UWVGGRQHSA-N 0 3 264.304 1.862 10 10 CDCEHN O=C1CCCN1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296033819 378706272 /nfs/dbraw/zinc/70/62/72/378706272.db2.gz QGSJXZOIRDRWIY-CYBMUJFWSA-N 0 3 274.364 1.982 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(O)ccc1[O-] ZINC000038060267 174071037 /nfs/dbraw/zinc/07/10/37/174071037.db2.gz CCDHZQYTZXVMBW-MWLCHTKSSA-N 0 3 253.298 1.164 10 10 CDCEHN CC(C)(C)[N-][N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1 ZINC000019321795 277127741 /nfs/dbraw/zinc/12/77/41/277127741.db2.gz YMSVBLHXDNSLRW-QXMHVHEDSA-N 0 3 261.278 1.503 10 10 CDCEHN C[C@H](N[C@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000769849684 575391526 /nfs/dbraw/zinc/39/15/26/575391526.db2.gz BGLGOUZIJLZRMN-WFASDCNBSA-N 0 3 289.379 1.062 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+]CCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000756674619 576999641 /nfs/dbraw/zinc/99/96/41/576999641.db2.gz ABVQRTXZMNMJPO-PSASIEDQSA-N 0 3 291.330 1.435 10 10 CDCEHN C[C@H](CC[NH+](C)C)NC(=O)NCc1c([O-])cccc1F ZINC000915152566 631659830 /nfs/dbraw/zinc/65/98/30/631659830.db2.gz DROANBVXIGYVKU-SNVBAGLBSA-N 0 3 283.347 1.671 10 10 CDCEHN COc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000135215860 1175824081 /nfs/dbraw/zinc/82/40/81/1175824081.db2.gz UYKMURRTGMSKHS-JQWIXIFHSA-N 0 3 251.326 1.915 10 10 CDCEHN Cc1cncc(CC[NH2+]Cc2cc(F)ccc2[O-])n1 ZINC000827383403 818016974 /nfs/dbraw/zinc/01/69/74/818016974.db2.gz DZOMVCMWDUXMEB-UHFFFAOYSA-N 0 3 261.300 1.962 10 10 CDCEHN CN1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779516144 818643039 /nfs/dbraw/zinc/64/30/39/818643039.db2.gz VGVANUPAVQXSES-HOSRBBHYSA-N 0 3 276.336 1.321 10 10 CDCEHN CN(C)c1cc(F)c(CN[C@@H]2CCC(=O)N(C)C2)cc1F ZINC000858141279 819016335 /nfs/dbraw/zinc/01/63/35/819016335.db2.gz MLMFOFYBDRUBMG-LLVKDONJSA-N 0 3 297.349 1.741 10 10 CDCEHN Cc1cc(O)c(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1C ZINC000844741778 819229830 /nfs/dbraw/zinc/22/98/30/819229830.db2.gz NWXOATNXEBSYCC-ZJNRKIDTSA-N 0 3 265.378 1.714 10 10 CDCEHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000812290513 821890624 /nfs/dbraw/zinc/89/06/24/821890624.db2.gz DVJZQJBKDTZEEP-SWLSCSKDSA-N 0 3 293.363 1.817 10 10 CDCEHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000812290513 821890626 /nfs/dbraw/zinc/89/06/26/821890626.db2.gz DVJZQJBKDTZEEP-SWLSCSKDSA-N 0 3 293.363 1.817 10 10 CDCEHN O=[S@](CC[NH2+]Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000826866552 822018153 /nfs/dbraw/zinc/01/81/53/822018153.db2.gz CHLOBDNIJGTNHX-LJQANCHMSA-N 0 3 299.289 1.932 10 10 CDCEHN COc1cccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1[O-] ZINC000827151692 822051054 /nfs/dbraw/zinc/05/10/54/822051054.db2.gz IGCZZLFIIYJPDF-GHMZBOCLSA-N 0 3 265.353 1.850 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000850482889 822086002 /nfs/dbraw/zinc/08/60/02/822086002.db2.gz VSBKJQDFDKIDBM-FKTZTGRPSA-N 0 3 264.300 1.558 10 10 CDCEHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c([O-])cccc1OC ZINC000824635579 822097144 /nfs/dbraw/zinc/09/71/44/822097144.db2.gz IMSWMUWAPUYWPC-DGCLKSJQSA-N 0 3 265.353 1.994 10 10 CDCEHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])cccc1OC ZINC000824635579 822097154 /nfs/dbraw/zinc/09/71/54/822097154.db2.gz IMSWMUWAPUYWPC-DGCLKSJQSA-N 0 3 265.353 1.994 10 10 CDCEHN COCCN(C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835027991 822538480 /nfs/dbraw/zinc/53/84/80/822538480.db2.gz OPTQTUUMSLHKHM-PLNGDYQASA-N 0 3 278.396 1.707 10 10 CDCEHN CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000398519726 936711175 /nfs/dbraw/zinc/71/11/75/936711175.db2.gz VAOJIMNRJBRWAB-SECBINFHSA-N 0 3 298.770 1.622 10 10 CDCEHN CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000398519726 936711177 /nfs/dbraw/zinc/71/11/77/936711177.db2.gz VAOJIMNRJBRWAB-SECBINFHSA-N 0 3 298.770 1.622 10 10 CDCEHN CC[C@H](C(=O)NCc1cccc(O)c1O)N(C)C ZINC001123979022 936260567 /nfs/dbraw/zinc/26/05/67/936260567.db2.gz ZMUSXYJZCSJMMO-SNVBAGLBSA-N 0 3 252.314 1.054 10 10 CDCEHN Cc1ccc(O)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000245781392 361917909 /nfs/dbraw/zinc/91/79/09/361917909.db2.gz UIQVWNYHFZANHQ-KGLIPLIRSA-N 0 3 278.396 1.588 10 10 CDCEHN CN(C)c1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000295072500 371126426 /nfs/dbraw/zinc/12/64/26/371126426.db2.gz HKNSSVHFJTXKGS-SJORKVTESA-N 0 3 289.423 1.658 10 10 CDCEHN COc1cc(Br)cc([C@H]([NH3+])CCO)c1[O-] ZINC000044232777 374345420 /nfs/dbraw/zinc/34/54/20/374345420.db2.gz BENJAQSYQXYMGL-MRVPVSSYSA-N 0 3 276.130 1.546 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000183441692 391264138 /nfs/dbraw/zinc/26/41/38/391264138.db2.gz QYCWNUQJWAQFDP-UONOGXRCSA-N 0 3 278.396 1.890 10 10 CDCEHN COc1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1C ZINC000527757368 392989597 /nfs/dbraw/zinc/98/95/97/392989597.db2.gz DUBOLQSXVNFLRR-DZGCQCFKSA-N 0 3 265.353 1.633 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000527955567 393004844 /nfs/dbraw/zinc/00/48/44/393004844.db2.gz MQJKLEWMAFVFSY-CUOATXAZSA-N 0 3 269.316 1.722 10 10 CDCEHN CC(C)[C@H](C[NH2+]Cc1ccc(O)cc1[O-])N(C)C ZINC000020145576 171030998 /nfs/dbraw/zinc/03/09/98/171030998.db2.gz NVQZJQNMDZAPLK-ZDUSSCGKSA-N 0 3 252.358 1.774 10 10 CDCEHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000184936175 262033833 /nfs/dbraw/zinc/03/38/33/262033833.db2.gz AISHYYUDQJTLEW-RYUDHWBXSA-N 0 3 282.359 1.903 10 10 CDCEHN COC[C@](C)(CCO)NCc1ccc(N(C)C)c(C)c1 ZINC000292750334 522880314 /nfs/dbraw/zinc/88/03/14/522880314.db2.gz IAAINCFQTRJLPQ-INIZCTEOSA-N 0 3 280.412 1.938 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000769147907 576334933 /nfs/dbraw/zinc/33/49/33/576334933.db2.gz HOUAMJOVJGSTNA-LLVKDONJSA-N 0 3 278.352 1.631 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000769147907 576334935 /nfs/dbraw/zinc/33/49/35/576334935.db2.gz HOUAMJOVJGSTNA-LLVKDONJSA-N 0 3 278.352 1.631 10 10 CDCEHN COc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1 ZINC000040905867 621607666 /nfs/dbraw/zinc/60/76/66/621607666.db2.gz CQBOROZIWXQNDS-UHFFFAOYSA-N 0 3 294.395 1.601 10 10 CDCEHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000898833067 621892122 /nfs/dbraw/zinc/89/21/22/621892122.db2.gz PQAMKQLXUCEMCB-CHWSQXEVSA-N 0 3 290.363 1.700 10 10 CDCEHN C[NH+]1C[C@]2(C)CN(C(=O)c3cc([O-])cs3)C[C@@]2(C)C1 ZINC000913278407 630421873 /nfs/dbraw/zinc/42/18/73/630421873.db2.gz GFHPABRQGQAYGC-ZIAGYGMSSA-N 0 3 280.393 1.868 10 10 CDCEHN CN1C[C@]2(C)CN(C(=O)C3=CC(=O)CS3)C[C@@]2(C)C1 ZINC000913278407 630421876 /nfs/dbraw/zinc/42/18/76/630421876.db2.gz GFHPABRQGQAYGC-ZIAGYGMSSA-N 0 3 280.393 1.868 10 10 CDCEHN CCCN1CCCC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001593872686 1174174227 /nfs/dbraw/zinc/17/42/27/1174174227.db2.gz ATTBONNTGQUCJF-AWEZNQCLSA-N 0 3 292.379 1.979 10 10 CDCEHN C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])CS1(=O)=O ZINC000827164026 828462383 /nfs/dbraw/zinc/46/23/83/828462383.db2.gz BIDFSWQXEFHZBP-SKDRFNHKSA-N 0 3 287.356 1.587 10 10 CDCEHN CC(C)N(C)CC(=O)NCc1c(O)cccc1F ZINC000928712312 822710321 /nfs/dbraw/zinc/71/03/21/822710321.db2.gz QSDJTVXXHVAVOE-UHFFFAOYSA-N 0 3 254.305 1.488 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccccc1[O-] ZINC000724621301 823988219 /nfs/dbraw/zinc/98/82/19/823988219.db2.gz SQFONFLUGLOAIT-OZTPJHRESA-N 0 3 263.337 1.847 10 10 CDCEHN COC[C@H](CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055324 824000673 /nfs/dbraw/zinc/00/06/73/824000673.db2.gz YCANZOGXJNVQDK-WSNITJDQSA-N 0 3 264.369 1.363 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824655061 824062691 /nfs/dbraw/zinc/06/26/91/824062691.db2.gz SZFFIISYITWQJL-ZNMIVQPWSA-N 0 3 277.364 1.754 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824655061 824062696 /nfs/dbraw/zinc/06/26/96/824062696.db2.gz SZFFIISYITWQJL-ZNMIVQPWSA-N 0 3 277.364 1.754 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@H]3C1)[C@@H](O)CO2 ZINC000853588219 824543926 /nfs/dbraw/zinc/54/39/26/824543926.db2.gz DABCSUUEKTVMBO-HCKVZZMMSA-N 0 3 291.347 1.286 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@H]3C1)[C@@H](O)CO2 ZINC000853588219 824543944 /nfs/dbraw/zinc/54/39/44/824543944.db2.gz DABCSUUEKTVMBO-HCKVZZMMSA-N 0 3 291.347 1.286 10 10 CDCEHN CO[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@H]1C ZINC000783970356 828670154 /nfs/dbraw/zinc/67/01/54/828670154.db2.gz CAAYFKMXEBBUJQ-QSGSBWRWSA-N 0 3 293.363 1.675 10 10 CDCEHN CO[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC[C@H]1C ZINC000783970356 828670174 /nfs/dbraw/zinc/67/01/74/828670174.db2.gz CAAYFKMXEBBUJQ-QSGSBWRWSA-N 0 3 293.363 1.675 10 10 CDCEHN Cc1cc(CN2CC(C)(C(N)=O)C2)ccc1N(C)C ZINC000829075846 825410681 /nfs/dbraw/zinc/41/06/81/825410681.db2.gz VGEQYMICYBXEKY-UHFFFAOYSA-N 0 3 261.369 1.368 10 10 CDCEHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090023653 825489912 /nfs/dbraw/zinc/48/99/12/825489912.db2.gz WSRKYCMTOAZWEA-BXUZGUMPSA-N 0 3 289.379 1.551 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972227 826319583 /nfs/dbraw/zinc/31/95/83/826319583.db2.gz VHKSWVBTSYDCRQ-GBIKHYSHSA-N 0 3 279.340 1.949 10 10 CDCEHN O=C(C[NH2+]Cc1ccccc1[O-])NC1CCCCC1 ZINC000111399883 826410032 /nfs/dbraw/zinc/41/00/32/826410032.db2.gz HCBSJYDPWLEXKN-UHFFFAOYSA-N 0 3 262.353 1.931 10 10 CDCEHN CN1CC[NH+]=C1NCc1cc(Br)ccc1[O-] ZINC000849027958 826475854 /nfs/dbraw/zinc/47/58/54/826475854.db2.gz SKIQSBFNBDVERY-UHFFFAOYSA-N 0 3 284.157 1.546 10 10 CDCEHN CCN(CC)c1ccc(CNC[C@H](O)[C@@H](C)O)cc1F ZINC000865738085 827259893 /nfs/dbraw/zinc/25/98/93/827259893.db2.gz BYCQAAIFMTWCHV-ABAIWWIYSA-N 0 3 284.375 1.503 10 10 CDCEHN CCN(CC)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027765 827949680 /nfs/dbraw/zinc/94/96/80/827949680.db2.gz DXLOXBOLKVWIDT-UHFFFAOYSA-N 0 3 287.363 1.898 10 10 CDCEHN CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000702518426 828168615 /nfs/dbraw/zinc/16/86/15/828168615.db2.gz SVAMZELIERCQQW-ZANVPECISA-N 0 3 257.305 1.579 10 10 CDCEHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NC ZINC000697871254 909414755 /nfs/dbraw/zinc/41/47/55/909414755.db2.gz OEQTYYQOSCSDJB-GZMMTYOYSA-N 0 3 254.305 1.707 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([O-])cs3)[C@@H]2C1 ZINC001347596408 965610537 /nfs/dbraw/zinc/61/05/37/965610537.db2.gz FAKZTQHNMMYZRQ-GDPRMGEGSA-N 0 3 266.366 1.524 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([O-])cs3)[C@@H]2C1 ZINC001347596408 965610540 /nfs/dbraw/zinc/61/05/40/965610540.db2.gz FAKZTQHNMMYZRQ-GDPRMGEGSA-N 0 3 266.366 1.524 10 10 CDCEHN CC[C@H](C)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 ZINC000059848312 348881468 /nfs/dbraw/zinc/88/14/68/348881468.db2.gz WINLPRNPBKQCDU-TVQRCGJNSA-N 0 3 266.341 1.130 10 10 CDCEHN COCCN1CCN(Cc2cccc(C)c2O)C[C@H]1C ZINC000180086042 357242036 /nfs/dbraw/zinc/24/20/36/357242036.db2.gz DDJMNKIHQQFVTA-CQSZACIVSA-N 0 3 278.396 1.853 10 10 CDCEHN CNC(=O)[C@@H]1CCCN1Cc1cc(C)c(C)cc1O ZINC000092097864 358537448 /nfs/dbraw/zinc/53/74/48/358537448.db2.gz XPQHJZZEPCHIGK-ZDUSSCGKSA-N 0 3 262.353 1.719 10 10 CDCEHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000284169777 368499057 /nfs/dbraw/zinc/49/90/57/368499057.db2.gz WWZIFJZBWJJVFW-HOCLYGCPSA-N 0 3 293.407 1.869 10 10 CDCEHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CCc2ccccc21 ZINC000662367556 412932722 /nfs/dbraw/zinc/93/27/22/412932722.db2.gz KQFBUGRNHNXDFI-GFCCVEGCSA-N 0 3 282.347 1.690 10 10 CDCEHN COC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264752135 391143394 /nfs/dbraw/zinc/14/33/94/391143394.db2.gz GUQMLOHXPLKOSJ-INIZCTEOSA-N 0 3 278.396 1.724 10 10 CDCEHN CC(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000020148974 171037511 /nfs/dbraw/zinc/03/75/11/171037511.db2.gz SWPYOKDSFCLQJT-ZYHUDNBSSA-N 0 3 262.353 1.975 10 10 CDCEHN CCCN1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000769358941 576348748 /nfs/dbraw/zinc/34/87/48/576348748.db2.gz DOINCSXRYIBMAC-ZDUSSCGKSA-N 0 3 262.353 1.883 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCN(C)C2)c1[O-] ZINC000762791343 576672873 /nfs/dbraw/zinc/67/28/73/576672873.db2.gz QMBOZBYJFDFQNK-CQSZACIVSA-N 0 3 284.787 1.510 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN1CCN(CCO)[C@H](C)C1 ZINC000840938981 617619879 /nfs/dbraw/zinc/61/98/79/617619879.db2.gz JZITYNJBACEGSX-OAHLLOKOSA-N 0 3 291.439 1.559 10 10 CDCEHN COc1cc(C)cc(CN2CCNC(=O)CC2(C)C)c1O ZINC000895399870 619639249 /nfs/dbraw/zinc/63/92/49/619639249.db2.gz WEXNRENWVAAKQA-UHFFFAOYSA-N 0 3 292.379 1.810 10 10 CDCEHN CN(C)c1ccc(CN[C@H]2CNCCC2(F)F)cc1 ZINC000841074844 625777753 /nfs/dbraw/zinc/77/77/53/625777753.db2.gz HKMGJPGRBKMFMQ-ZDUSSCGKSA-N 0 3 269.339 1.839 10 10 CDCEHN O=C(c1cc([O-])cs1)N1CCC([NH+]2CCC2)CC1 ZINC000912872079 630258158 /nfs/dbraw/zinc/25/81/58/630258158.db2.gz NJLCBYOZPKOWGQ-UHFFFAOYSA-N 0 3 266.366 1.764 10 10 CDCEHN O=C(C1=CC(=O)CS1)N1CCC(N2CCC2)CC1 ZINC000912872079 630258160 /nfs/dbraw/zinc/25/81/60/630258160.db2.gz NJLCBYOZPKOWGQ-UHFFFAOYSA-N 0 3 266.366 1.764 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000723536030 828870899 /nfs/dbraw/zinc/87/08/99/828870899.db2.gz JJJWXMLOFQGTCH-RYUDHWBXSA-N 0 3 262.353 1.830 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2C)c2c1c(F)ccc2[O-] ZINC000858523160 833374128 /nfs/dbraw/zinc/37/41/28/833374128.db2.gz NZTFTCKBADYFRW-NQBHXWOUSA-N 0 3 294.370 2.000 10 10 CDCEHN COc1cccc(C[NH2+]Cc2ncccc2[O-])c1O ZINC000793258562 829427767 /nfs/dbraw/zinc/42/77/67/829427767.db2.gz KSPQYPJNHIAOIW-UHFFFAOYSA-N 0 3 260.293 1.791 10 10 CDCEHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000840978043 830219565 /nfs/dbraw/zinc/21/95/65/830219565.db2.gz ZJGRZJRQAYAQDC-ZDUSSCGKSA-N 0 3 262.353 1.881 10 10 CDCEHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000840978043 830219571 /nfs/dbraw/zinc/21/95/71/830219571.db2.gz ZJGRZJRQAYAQDC-ZDUSSCGKSA-N 0 3 262.353 1.881 10 10 CDCEHN CN1CCO[C@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000709414503 832303142 /nfs/dbraw/zinc/30/31/42/832303142.db2.gz HVDPUAVCBUVGLF-ZDUSSCGKSA-N 0 3 268.332 1.294 10 10 CDCEHN CN1CCO[C@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000709414503 832303150 /nfs/dbraw/zinc/30/31/50/832303150.db2.gz HVDPUAVCBUVGLF-ZDUSSCGKSA-N 0 3 268.332 1.294 10 10 CDCEHN Cc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c(O)c1O ZINC000816955262 832821339 /nfs/dbraw/zinc/82/13/39/832821339.db2.gz YCAQQIQYICNPLG-ZYHUDNBSSA-N 0 3 276.336 1.182 10 10 CDCEHN CCc1cccc(CN2CCOC[C@@H](O)C2)c1O ZINC000848915696 834367174 /nfs/dbraw/zinc/36/71/74/834367174.db2.gz LUWPUAYHKOGGNZ-ZDUSSCGKSA-N 0 3 251.326 1.148 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(F)ccc1[O-] ZINC000094618456 834538911 /nfs/dbraw/zinc/53/89/11/834538911.db2.gz SQJYLDCUEZBXTE-GZMMTYOYSA-N 0 3 280.299 1.329 10 10 CDCEHN C[C@H]1CCN(CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000847591761 834886050 /nfs/dbraw/zinc/88/60/50/834886050.db2.gz ZCFRUCJXNFALDG-JTQLQIEISA-N 0 3 264.325 1.056 10 10 CDCEHN COCCN(Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000782976316 835390592 /nfs/dbraw/zinc/39/05/92/835390592.db2.gz LBXAIMQTEZFHQA-LBPRGKRZSA-N 0 3 295.335 1.358 10 10 CDCEHN C[C@@H](NCCO)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000020551003 356547279 /nfs/dbraw/zinc/54/72/79/356547279.db2.gz LYMKCAWEUWKGIH-GFCCVEGCSA-N 0 3 281.375 1.220 10 10 CDCEHN CC[NH+]1CCC(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000185736517 357571518 /nfs/dbraw/zinc/57/15/18/357571518.db2.gz WGJGCPWDHKJDPJ-UHFFFAOYSA-N 0 3 292.379 1.950 10 10 CDCEHN COc1ccc(O)c(CNCC2(C)OCCCO2)c1 ZINC000190839729 358094992 /nfs/dbraw/zinc/09/49/92/358094992.db2.gz XXASWFAKVSUEMS-UHFFFAOYSA-N 0 3 267.325 1.644 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000281807523 363843942 /nfs/dbraw/zinc/84/39/42/363843942.db2.gz PVWHZGOKSKOPDO-JOYOIKCWSA-N 0 3 264.325 1.158 10 10 CDCEHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCNC1=O ZINC000282504980 367918744 /nfs/dbraw/zinc/91/87/44/367918744.db2.gz RFWGSPDKQHXENC-CYBMUJFWSA-N 0 3 262.353 1.883 10 10 CDCEHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCNC1=O ZINC000282504980 367918750 /nfs/dbraw/zinc/91/87/50/367918750.db2.gz RFWGSPDKQHXENC-CYBMUJFWSA-N 0 3 262.353 1.883 10 10 CDCEHN Cc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-] ZINC000245939589 376341798 /nfs/dbraw/zinc/34/17/98/376341798.db2.gz TZGASPIUHOELAX-HOCLYGCPSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-] ZINC000245939589 376341800 /nfs/dbraw/zinc/34/18/00/376341800.db2.gz TZGASPIUHOELAX-HOCLYGCPSA-N 0 3 290.407 1.853 10 10 CDCEHN O=C(C[NH2+]Cc1ccccc1[O-])NCC(F)(F)F ZINC000134229018 391675841 /nfs/dbraw/zinc/67/58/41/391675841.db2.gz APSIOYFUHGJSLF-UHFFFAOYSA-N 0 3 262.231 1.160 10 10 CDCEHN C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000273594217 289757298 /nfs/dbraw/zinc/75/72/98/289757298.db2.gz QCZVSBXNRHQUHU-ZJUUUORDSA-N 0 3 264.304 1.862 10 10 CDCEHN COc1ccc(O)c([C@@H](C)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000081902212 524766415 /nfs/dbraw/zinc/76/64/15/524766415.db2.gz SKLFYDCUOLFKOY-VHSXEESVSA-N 0 3 287.381 1.485 10 10 CDCEHN CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000753805083 576860006 /nfs/dbraw/zinc/86/00/06/576860006.db2.gz LFQYSSGSGQMDNP-UHFFFAOYSA-N 0 3 276.380 1.839 10 10 CDCEHN CNC(=O)CCC[N@@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000753805083 576860008 /nfs/dbraw/zinc/86/00/08/576860008.db2.gz LFQYSSGSGQMDNP-UHFFFAOYSA-N 0 3 276.380 1.839 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]CCc2nnnn2C)c([O-])c1 ZINC000756678209 576999599 /nfs/dbraw/zinc/99/95/99/576999599.db2.gz VDJUVHXHLGUAGO-JTQLQIEISA-N 0 3 261.329 1.117 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(F)ccc1[O-] ZINC000927146499 621865802 /nfs/dbraw/zinc/86/58/02/621865802.db2.gz OLBVTDZYLPXSEY-MWLCHTKSSA-N 0 3 290.342 1.868 10 10 CDCEHN CC[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279948 625950637 /nfs/dbraw/zinc/95/06/37/625950637.db2.gz MDIIJDIYNAERJB-HOCLYGCPSA-N 0 3 294.395 1.126 10 10 CDCEHN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903954229 626166680 /nfs/dbraw/zinc/16/66/80/626166680.db2.gz AWORZEFZNLWCIN-JTQLQIEISA-N 0 3 274.286 1.866 10 10 CDCEHN C[C@H]([NH2+]CC(=O)Nc1ccncc1)c1ccccc1[O-] ZINC001620505414 1165656729 /nfs/dbraw/zinc/65/67/29/1165656729.db2.gz ZBVLSVFNVHDTAS-NSHDSACASA-N 0 3 271.320 1.498 10 10 CDCEHN COC[C@@](C)(O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000824558970 837711421 /nfs/dbraw/zinc/71/14/21/837711421.db2.gz AXXDHCBTPDUOMQ-ZDUSSCGKSA-N 0 3 257.305 1.408 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000717349035 837126399 /nfs/dbraw/zinc/12/63/99/837126399.db2.gz NGRBGFASWZGULY-JTQLQIEISA-N 0 3 267.222 1.934 10 10 CDCEHN CN1CCOC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000700214441 837164369 /nfs/dbraw/zinc/16/43/69/837164369.db2.gz ZKZAUVSFIDPVRH-OLZOCXBDSA-N 0 3 262.353 1.300 10 10 CDCEHN CCNC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027944 838073356 /nfs/dbraw/zinc/07/33/56/838073356.db2.gz RMOYKAFSVLHGCY-UHFFFAOYSA-N 0 3 272.146 1.789 10 10 CDCEHN CCC[N@@H+]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923319977 839365831 /nfs/dbraw/zinc/36/58/31/839365831.db2.gz ROECFPYSTNVNRO-LLVKDONJSA-N 0 3 295.358 1.815 10 10 CDCEHN CCC[N@H+]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923319977 839365843 /nfs/dbraw/zinc/36/58/43/839365843.db2.gz ROECFPYSTNVNRO-LLVKDONJSA-N 0 3 295.358 1.815 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OC ZINC000808733196 839990023 /nfs/dbraw/zinc/99/00/23/839990023.db2.gz RXPRIBFBUWWVLR-OAHLLOKOSA-N 0 3 281.352 1.528 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OC ZINC000808733196 839990030 /nfs/dbraw/zinc/99/00/30/839990030.db2.gz RXPRIBFBUWWVLR-OAHLLOKOSA-N 0 3 281.352 1.528 10 10 CDCEHN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000839192546 842307894 /nfs/dbraw/zinc/30/78/94/842307894.db2.gz KCHHZFTZASVWCL-NWDGAFQWSA-N 0 3 271.744 1.857 10 10 CDCEHN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(C)C1 ZINC000855360145 842821148 /nfs/dbraw/zinc/82/11/48/842821148.db2.gz HQXQMAVMVVPWNE-IYNGYCSASA-N 0 3 290.363 1.664 10 10 CDCEHN Cc1[nH]cnc1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001136454435 931061724 /nfs/dbraw/zinc/06/17/24/931061724.db2.gz YJBSWMUWONUSEM-UHFFFAOYSA-N 0 3 290.342 1.782 10 10 CDCEHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC001119517378 937727397 /nfs/dbraw/zinc/72/73/97/937727397.db2.gz SGJIPPCNCUKKPY-LBPRGKRZSA-N 0 3 283.393 1.758 10 10 CDCEHN CCN1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001293018262 954282466 /nfs/dbraw/zinc/28/24/66/954282466.db2.gz VPTZFHMUWHLHEM-UHFFFAOYSA-N 0 3 278.352 1.195 10 10 CDCEHN CC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H](O)C(F)F ZINC000294992835 199289351 /nfs/dbraw/zinc/28/93/51/199289351.db2.gz HSGQUSDIJOKQOS-JQWIXIFHSA-N 0 3 275.295 1.895 10 10 CDCEHN C[C@@H](O)CN1CCN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180099129 357243379 /nfs/dbraw/zinc/24/33/79/357243379.db2.gz OHHQHDFZFNTGLD-NWDGAFQWSA-N 0 3 282.359 1.418 10 10 CDCEHN COC[C@@](C)(CCO)NCc1ccc(N(C)C)cc1 ZINC000267319180 363795123 /nfs/dbraw/zinc/79/51/23/363795123.db2.gz DVTKZKBDJGQSJA-OAHLLOKOSA-N 0 3 266.385 1.630 10 10 CDCEHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-] ZINC000575408943 364758223 /nfs/dbraw/zinc/75/82/23/364758223.db2.gz XJFJZBLHNBRSRD-ZDUSSCGKSA-O 0 3 276.316 1.816 10 10 CDCEHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1C ZINC000282472990 390974381 /nfs/dbraw/zinc/97/43/81/390974381.db2.gz UULNYIUDVIEOMY-WCQYABFASA-N 0 3 262.353 1.760 10 10 CDCEHN CC(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000020148975 171037414 /nfs/dbraw/zinc/03/74/14/171037414.db2.gz SWPYOKDSFCLQJT-CMPLNLGQSA-N 0 3 262.353 1.975 10 10 CDCEHN Cc1cccc(CN2CCN3CCOC[C@H]3C2)c1O ZINC000363886021 262008430 /nfs/dbraw/zinc/00/84/30/262008430.db2.gz HTFQGAAEYFNSJB-CQSZACIVSA-N 0 3 262.353 1.217 10 10 CDCEHN COc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000363264074 267082799 /nfs/dbraw/zinc/08/27/99/267082799.db2.gz HTOXEAUYYVSIGK-RTXFEEFZSA-N 0 3 290.363 1.500 10 10 CDCEHN CN(c1c(F)cc(CN)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000062711339 523632546 /nfs/dbraw/zinc/63/25/46/523632546.db2.gz NANIULJGHKVAAL-SECBINFHSA-N 0 3 290.335 1.047 10 10 CDCEHN CNC(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000228671737 524100208 /nfs/dbraw/zinc/10/02/08/524100208.db2.gz YWJNPLCHFFBZGT-ZETCQYMHSA-N 0 3 272.732 1.278 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H]1O)OCO2 ZINC000089151329 526336190 /nfs/dbraw/zinc/33/61/90/526336190.db2.gz PPQSUOSRFPRFCR-GXSJLCMTSA-N 0 3 265.309 1.372 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128568985 526371159 /nfs/dbraw/zinc/37/11/59/526371159.db2.gz SPZKPFMIFDUFMD-ZDUSSCGKSA-N 0 3 272.352 1.896 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128568985 526371162 /nfs/dbraw/zinc/37/11/62/526371162.db2.gz SPZKPFMIFDUFMD-ZDUSSCGKSA-N 0 3 272.352 1.896 10 10 CDCEHN CCOc1ccc(CN2CC[C@H](NC(N)=O)C2)c(O)c1 ZINC000770378236 575442686 /nfs/dbraw/zinc/44/26/86/575442686.db2.gz GCORNMPBCYHVGV-NSHDSACASA-N 0 3 279.340 1.034 10 10 CDCEHN CN1CCC(NC(=O)CSc2nccs2)CC1 ZINC000746582231 576784727 /nfs/dbraw/zinc/78/47/27/576784727.db2.gz QOCGSLDBYFHQDY-UHFFFAOYSA-N 0 3 271.411 1.446 10 10 CDCEHN CN1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000748458678 576913605 /nfs/dbraw/zinc/91/36/05/576913605.db2.gz AQOPGWOETUSZRE-GFCCVEGCSA-N 0 3 263.341 1.286 10 10 CDCEHN COc1ccc(C[NH2+]Cc2c(C)ccnc2N)c([O-])c1 ZINC000894638680 619000378 /nfs/dbraw/zinc/00/03/78/619000378.db2.gz SMKWITUBCXECMP-UHFFFAOYSA-N 0 3 273.336 1.976 10 10 CDCEHN COc1ccc(O)c(CNCc2n[nH]c(CSC)n2)c1 ZINC000895818493 619859987 /nfs/dbraw/zinc/85/99/87/619859987.db2.gz QKXLNCBSKSNLAE-UHFFFAOYSA-N 0 3 294.380 1.672 10 10 CDCEHN COc1cccc(CN2CCNC(=O)CC23CCC3)c1O ZINC000895929008 619907320 /nfs/dbraw/zinc/90/73/20/619907320.db2.gz SYZZSLOZDDBXNQ-UHFFFAOYSA-N 0 3 290.363 1.645 10 10 CDCEHN Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000927141464 621835057 /nfs/dbraw/zinc/83/50/57/621835057.db2.gz AVHIFUSYQQSBQB-AAEUAGOBSA-N 0 3 284.363 1.655 10 10 CDCEHN C[C@H](C(=O)NCc1cc(O)ccc1O)N1CCCCCC1 ZINC001644752637 1167345233 /nfs/dbraw/zinc/34/52/33/1167345233.db2.gz NJEHRZPUCGERQU-GFCCVEGCSA-N 0 3 292.379 1.979 10 10 CDCEHN CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036959792 843322769 /nfs/dbraw/zinc/32/27/69/843322769.db2.gz ZOIFSYPGYMDMKN-QWRGUYRKSA-N 0 3 250.342 1.958 10 10 CDCEHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000835045587 843999817 /nfs/dbraw/zinc/99/98/17/843999817.db2.gz WPYKFXOJERDLCO-KTRBRXNASA-N 0 3 275.396 1.832 10 10 CDCEHN O=S1(=O)CCC[C@@H]1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000714347168 847555093 /nfs/dbraw/zinc/55/50/93/847555093.db2.gz IGOAHEARGKZSGE-OLZOCXBDSA-N 0 3 295.404 1.936 10 10 CDCEHN CN(C)c1ccc(CN(C)C(=O)COC2(C)CNC2)cc1 ZINC000161115620 910207160 /nfs/dbraw/zinc/20/71/60/910207160.db2.gz NJSBRKZEUZVMBF-UHFFFAOYSA-N 0 3 291.395 1.090 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1cc(O)ccc1[O-] ZINC000104341940 185976033 /nfs/dbraw/zinc/97/60/33/185976033.db2.gz MYVCNYOGMLCWCE-DTWKUNHWSA-N 0 3 250.298 1.027 10 10 CDCEHN COc1cccc(CN2CCC(n3cncn3)CC2)c1O ZINC000092648026 360283105 /nfs/dbraw/zinc/28/31/05/360283105.db2.gz WRYVTXJWQARSIY-UHFFFAOYSA-N 0 3 288.351 1.829 10 10 CDCEHN COc1cccc(C[NH+]2CCC(n3cncn3)CC2)c1[O-] ZINC000092648026 360283109 /nfs/dbraw/zinc/28/31/09/360283109.db2.gz WRYVTXJWQARSIY-UHFFFAOYSA-N 0 3 288.351 1.829 10 10 CDCEHN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(F)ccc1[O-] ZINC000273594216 365510129 /nfs/dbraw/zinc/51/01/29/365510129.db2.gz QCZVSBXNRHQUHU-VHSXEESVSA-N 0 3 264.304 1.862 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000281807520 524755924 /nfs/dbraw/zinc/75/59/24/524755924.db2.gz PVWHZGOKSKOPDO-CABZTGNLSA-N 0 3 264.325 1.158 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1[O-] ZINC000277728235 526039871 /nfs/dbraw/zinc/03/98/71/526039871.db2.gz JKUSDUBFFOHONX-JQWIXIFHSA-N 0 3 251.326 1.915 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC[C@@H]1O)OCO2 ZINC000089151328 526336815 /nfs/dbraw/zinc/33/68/15/526336815.db2.gz PPQSUOSRFPRFCR-KOLCDFICSA-N 0 3 265.309 1.372 10 10 CDCEHN CCN(C)c1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1 ZINC000773809787 575839458 /nfs/dbraw/zinc/83/94/58/575839458.db2.gz AGYZBWPKVQHJLX-CYBMUJFWSA-N 0 3 276.384 1.385 10 10 CDCEHN COc1cc(C)cc(CN2CC[C@H](OC)C2)c1O ZINC000754738328 576913159 /nfs/dbraw/zinc/91/31/59/576913159.db2.gz XXGXSTUDIBVSDQ-LBPRGKRZSA-N 0 3 251.326 1.930 10 10 CDCEHN CN(C)C1(C(=O)NCc2c(O)cccc2O)CCC1 ZINC001639292638 1166922721 /nfs/dbraw/zinc/92/27/21/1166922721.db2.gz LENSZMOFTHZKTO-UHFFFAOYSA-N 0 3 264.325 1.198 10 10 CDCEHN CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)N(C)C ZINC001593873603 1174173301 /nfs/dbraw/zinc/17/33/01/1174173301.db2.gz TVUQGHKBPRYACZ-CYBMUJFWSA-N 0 3 266.341 1.300 10 10 CDCEHN COC[C@@](C)(CO)NCc1ccc(N(C)C)c(F)c1 ZINC000777483080 697987541 /nfs/dbraw/zinc/98/75/41/697987541.db2.gz DMCPZTDPTZUUJS-CQSZACIVSA-N 0 3 270.348 1.379 10 10 CDCEHN COCCN(Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000786187459 698004366 /nfs/dbraw/zinc/00/43/66/698004366.db2.gz UMOAKNPTRNOAFA-INIZCTEOSA-N 0 3 278.396 1.990 10 10 CDCEHN C[C@H](NC(=O)[C@@H](N)CC(F)F)c1ccccc1O ZINC000870988730 698739693 /nfs/dbraw/zinc/73/96/93/698739693.db2.gz XZHLJDIEGHTXTM-CBAPKCEASA-N 0 3 258.268 1.552 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@H]2CC(=O)N(C)C2)cc1 ZINC000835037989 698852162 /nfs/dbraw/zinc/85/21/62/698852162.db2.gz SMVUMPCHTXZNTC-WSNITJDQSA-N 0 3 273.380 1.586 10 10 CDCEHN Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)c(O)c1O ZINC000780938875 698870015 /nfs/dbraw/zinc/87/00/15/698870015.db2.gz KDMHFZOVGJWVSO-CYBMUJFWSA-N 0 3 290.363 1.572 10 10 CDCEHN CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)NC ZINC000835055354 704815066 /nfs/dbraw/zinc/81/50/66/704815066.db2.gz VCOTYDJEJQEPCM-LQYUOIDQSA-N 0 3 275.396 1.880 10 10 CDCEHN CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000862542482 704873769 /nfs/dbraw/zinc/87/37/69/704873769.db2.gz QHFGAFCJYODNRO-SECBINFHSA-N 0 3 286.759 1.852 10 10 CDCEHN CON(C)C(=O)[C@@H](C)NCc1cc(Cl)cc(C)c1O ZINC000862542482 704873770 /nfs/dbraw/zinc/87/37/70/704873770.db2.gz QHFGAFCJYODNRO-SECBINFHSA-N 0 3 286.759 1.852 10 10 CDCEHN C[C@H]([NH2+]Cc1ccccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000796493138 705139319 /nfs/dbraw/zinc/13/93/19/705139319.db2.gz VTLNUZLZXRRKGJ-JTQLQIEISA-N 0 3 269.366 1.448 10 10 CDCEHN C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642123 848253937 /nfs/dbraw/zinc/25/39/37/848253937.db2.gz JHVCNWKLHWLFHX-NEPJUHHUSA-N 0 3 296.392 1.389 10 10 CDCEHN C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642123 848253945 /nfs/dbraw/zinc/25/39/45/848253945.db2.gz JHVCNWKLHWLFHX-NEPJUHHUSA-N 0 3 296.392 1.389 10 10 CDCEHN COc1ccc(CNC(=[NH2+])NCCC2CC2)c([O-])c1 ZINC000864465363 848345009 /nfs/dbraw/zinc/34/50/09/848345009.db2.gz VCSCBMOYWLEZKO-UHFFFAOYSA-N 0 3 263.341 1.815 10 10 CDCEHN COCCN(Cc1cccc(OC)c1O)[C@H]1CCOC1 ZINC000787336157 848969475 /nfs/dbraw/zinc/96/94/75/848969475.db2.gz ZRDWXXASXGUDMD-ZDUSSCGKSA-N 0 3 281.352 1.638 10 10 CDCEHN CN1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000723582601 849194968 /nfs/dbraw/zinc/19/49/68/849194968.db2.gz OYPDPSRMJASGAI-VIFPVBQESA-N 0 3 252.289 1.099 10 10 CDCEHN CCOc1ccc(O)c(CN2CCN(CCO)[C@H](C)C2)c1 ZINC000190250157 849416445 /nfs/dbraw/zinc/41/64/45/849416445.db2.gz RSMWDQMJGCQEOZ-CYBMUJFWSA-N 0 3 294.395 1.289 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@H]3C1)[C@H](O)CO2 ZINC000853588221 849542838 /nfs/dbraw/zinc/54/28/38/849542838.db2.gz DABCSUUEKTVMBO-IXPVHAAZSA-N 0 3 291.347 1.286 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@H]3C1)[C@H](O)CO2 ZINC000853588221 849542845 /nfs/dbraw/zinc/54/28/45/849542845.db2.gz DABCSUUEKTVMBO-IXPVHAAZSA-N 0 3 291.347 1.286 10 10 CDCEHN C[C@H](CC[NH2+]Cc1cc(F)ccc1[O-])[S@](C)=O ZINC000226620778 850160702 /nfs/dbraw/zinc/16/07/02/850160702.db2.gz YBYOCVFWEJFDAX-XLFHBGCDSA-N 0 3 259.346 1.778 10 10 CDCEHN COC[C@H](CC[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000694258586 898224754 /nfs/dbraw/zinc/22/47/54/898224754.db2.gz WEXQHIQGKUHEPL-LBPRGKRZSA-N 0 3 257.305 1.672 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000093740292 342426105 /nfs/dbraw/zinc/42/61/05/342426105.db2.gz BHEGQDFQLUKIMP-OAHLLOKOSA-N 0 3 278.396 1.589 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(F)ccc1[O-] ZINC000094618489 360231326 /nfs/dbraw/zinc/23/13/26/360231326.db2.gz DVPOALDFROMBEJ-ZYHUDNBSSA-N 0 3 268.332 1.513 10 10 CDCEHN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-] ZINC000138272854 360718203 /nfs/dbraw/zinc/71/82/03/360718203.db2.gz NRTSXRLVUHMXJE-VIFPVBQESA-O 0 3 256.326 1.805 10 10 CDCEHN CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)CO)c1[O-] ZINC000134981435 375668809 /nfs/dbraw/zinc/66/88/09/375668809.db2.gz AYUBOPXQBRDELU-QWRGUYRKSA-N 0 3 253.342 1.897 10 10 CDCEHN COc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1C ZINC000069928209 379236442 /nfs/dbraw/zinc/23/64/42/379236442.db2.gz OQVIKLMHCZETCK-MRXNPFEDSA-N 0 3 290.407 1.956 10 10 CDCEHN COc1ccc([C@H](C)[NH2+]C[C@H]2COCCO2)c([O-])c1 ZINC000038060652 174071458 /nfs/dbraw/zinc/07/14/58/174071458.db2.gz AUOLSJINCWOEGE-JQWIXIFHSA-N 0 3 267.325 1.467 10 10 CDCEHN Cc1c(C)c(Br)cc([C@H]([NH3+])CO)c1[O-] ZINC000072199300 176340579 /nfs/dbraw/zinc/34/05/79/176340579.db2.gz WFGYINGGOVBKMM-SECBINFHSA-N 0 3 260.131 1.764 10 10 CDCEHN CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296950345 263198865 /nfs/dbraw/zinc/19/88/65/263198865.db2.gz QTAXDVPZOMBEAE-QWHCGFSZSA-N 0 3 289.379 1.773 10 10 CDCEHN O[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC12CC2 ZINC000368734289 267200182 /nfs/dbraw/zinc/20/01/82/267200182.db2.gz WHRWFSQBHLLQJF-INIZCTEOSA-N 0 3 288.391 1.480 10 10 CDCEHN CCN1CC[C@H]2OCCN(Cc3cccc(C)c3O)[C@H]2C1 ZINC000293550077 521723196 /nfs/dbraw/zinc/72/31/96/521723196.db2.gz DVGWITQVGRBFQM-JKSUJKDBSA-N 0 3 290.407 1.996 10 10 CDCEHN C[C@@H](N[C@@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000769849681 575391461 /nfs/dbraw/zinc/39/14/61/575391461.db2.gz BGLGOUZIJLZRMN-IUODEOHRSA-N 0 3 289.379 1.062 10 10 CDCEHN COc1ccc(O)c(CNCc2c3c(nn2C)CCC3)c1 ZINC000921740057 633254514 /nfs/dbraw/zinc/25/45/14/633254514.db2.gz DSCNSZGTKLVRAC-UHFFFAOYSA-N 0 3 287.363 1.913 10 10 CDCEHN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCN(C)C1 ZINC000855360148 705995253 /nfs/dbraw/zinc/99/52/53/705995253.db2.gz HQXQMAVMVVPWNE-VUDGCMKMSA-N 0 3 290.363 1.664 10 10 CDCEHN COC(=O)[C@]1(OC)CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000859556731 706083848 /nfs/dbraw/zinc/08/38/48/706083848.db2.gz OEPIOXDZRYZLSS-INIZCTEOSA-N 0 3 292.379 1.517 10 10 CDCEHN C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000135023590 709525323 /nfs/dbraw/zinc/52/53/23/709525323.db2.gz IHPIYIAJHITMRM-JTQLQIEISA-N 0 3 250.342 1.958 10 10 CDCEHN CO[C@@]1(CO)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000826952648 709803596 /nfs/dbraw/zinc/80/35/96/709803596.db2.gz OKLXBZJAYSRFSV-AWEZNQCLSA-N 0 3 251.326 1.366 10 10 CDCEHN CO[C@@]1(CO)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000826952648 709803597 /nfs/dbraw/zinc/80/35/97/709803597.db2.gz OKLXBZJAYSRFSV-AWEZNQCLSA-N 0 3 251.326 1.366 10 10 CDCEHN O=C1OC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC000862546134 710799288 /nfs/dbraw/zinc/79/92/88/710799288.db2.gz HIJIXPIPEKRKCB-MWLCHTKSSA-N 0 3 251.257 1.136 10 10 CDCEHN O=C1OC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC000862546134 710799293 /nfs/dbraw/zinc/79/92/93/710799293.db2.gz HIJIXPIPEKRKCB-MWLCHTKSSA-N 0 3 251.257 1.136 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000835046445 936715165 /nfs/dbraw/zinc/71/51/65/936715165.db2.gz JSAMOIBOLLWDGE-MYIWKSEUSA-N 0 3 276.380 1.193 10 10 CDCEHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](C)O1 ZINC001261655552 946217910 /nfs/dbraw/zinc/21/79/10/946217910.db2.gz ZURIXIFGLJSQQT-ZETOZRRWSA-N 0 3 293.363 1.817 10 10 CDCEHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](C)O1 ZINC001261655552 946217922 /nfs/dbraw/zinc/21/79/22/946217922.db2.gz ZURIXIFGLJSQQT-ZETOZRRWSA-N 0 3 293.363 1.817 10 10 CDCEHN CCOc1ccc([O-])c(C[NH2+]CCc2cnn(C)c2)c1 ZINC000263666351 362941046 /nfs/dbraw/zinc/94/10/46/362941046.db2.gz IPEFRSCJSSYQOW-UHFFFAOYSA-N 0 3 275.352 1.857 10 10 CDCEHN CCOC(=O)C1(O)CCN(Cc2cccc(C)c2O)CC1 ZINC000271774669 364997465 /nfs/dbraw/zinc/99/74/65/364997465.db2.gz GXHXSEVKONZTFV-UHFFFAOYSA-N 0 3 293.363 1.591 10 10 CDCEHN CCN1CCO[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000069658909 378488588 /nfs/dbraw/zinc/48/85/88/378488588.db2.gz YPBOIHDXFDCTRW-HNNXBMFYSA-N 0 3 276.380 1.432 10 10 CDCEHN COc1ccc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000362240819 391716796 /nfs/dbraw/zinc/71/67/96/391716796.db2.gz WHFCSRDUGWEMGU-ZKYQVNSYSA-N 0 3 290.363 1.500 10 10 CDCEHN CC(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000020148977 171037799 /nfs/dbraw/zinc/03/77/99/171037799.db2.gz SWPYOKDSFCLQJT-JQWIXIFHSA-N 0 3 262.353 1.975 10 10 CDCEHN C[C@@H](O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000158603308 261167926 /nfs/dbraw/zinc/16/79/26/261167926.db2.gz YEXCWGLPNUYODU-SNVBAGLBSA-N 0 3 279.336 1.714 10 10 CDCEHN C[C@H](O)C(C)(C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000161153545 261238454 /nfs/dbraw/zinc/23/84/54/261238454.db2.gz PSHXWTAFTMHDRE-QMMMGPOBSA-N 0 3 253.298 1.370 10 10 CDCEHN Cc1cccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180654840 329221674 /nfs/dbraw/zinc/22/16/74/329221674.db2.gz TZGASPIUHOELAX-GOEBONIOSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180654840 329221676 /nfs/dbraw/zinc/22/16/76/329221676.db2.gz TZGASPIUHOELAX-GOEBONIOSA-N 0 3 290.407 1.853 10 10 CDCEHN C[C@@H]1CCOCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774661116 575225213 /nfs/dbraw/zinc/22/52/13/575225213.db2.gz ULFCIWUPISHFGV-YGRLFVJLSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@@H]1CCOCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774661116 575225215 /nfs/dbraw/zinc/22/52/15/575225215.db2.gz ULFCIWUPISHFGV-YGRLFVJLSA-N 0 3 279.336 1.429 10 10 CDCEHN COc1ccc(O)c(CN2CCNC(=O)CC2(C)C)c1 ZINC000895399424 619638395 /nfs/dbraw/zinc/63/83/95/619638395.db2.gz BSJSORCJFLUJHX-UHFFFAOYSA-N 0 3 278.352 1.501 10 10 CDCEHN COc1cccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)c1O ZINC000925326460 621553555 /nfs/dbraw/zinc/55/35/55/621553555.db2.gz YOYQNRORBBSYLO-PWSUYJOCSA-N 0 3 293.367 1.293 10 10 CDCEHN CON1CC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000905763184 626968504 /nfs/dbraw/zinc/96/85/04/626968504.db2.gz BRKYJLQXTDLEOF-BXUZGUMPSA-N 0 3 277.368 1.566 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CCCc1ncn(C)n1 ZINC000842737258 712010195 /nfs/dbraw/zinc/01/01/95/712010195.db2.gz LTILOROGDPOHEL-UHFFFAOYSA-N 0 3 276.340 1.252 10 10 CDCEHN C[C@H]1C[NH+](Cc2cc(F)ccc2[O-])C[C@H](C)C1O ZINC000827151806 712120985 /nfs/dbraw/zinc/12/09/85/712120985.db2.gz KCNWBGCAIJEZCA-UWVGGRQHSA-N 0 3 253.317 1.980 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000850343475 712183103 /nfs/dbraw/zinc/18/31/03/712183103.db2.gz UBTMDXVRTZIBQI-ABAIWWIYSA-N 0 3 281.352 1.542 10 10 CDCEHN CC[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](C)N1 ZINC000856408397 712238115 /nfs/dbraw/zinc/23/81/15/712238115.db2.gz MHVZCZQOVPMSQQ-DTWKUNHWSA-N 0 3 254.355 1.666 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]CCCn1ccnn1 ZINC000230392521 905295957 /nfs/dbraw/zinc/29/59/57/905295957.db2.gz ZFOVPZFEFMWNPO-UHFFFAOYSA-N 0 3 250.277 1.303 10 10 CDCEHN COc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)c(O)c1 ZINC000925338055 917320592 /nfs/dbraw/zinc/32/05/92/917320592.db2.gz KRCSCJTZQVZSTN-GXFFZTMASA-N 0 3 293.367 1.293 10 10 CDCEHN CCOc1ccc(CNCC(=O)N(CC)OCC)c(O)c1 ZINC000858219379 928821412 /nfs/dbraw/zinc/82/14/12/928821412.db2.gz JYRHVCUIRFBWNK-UHFFFAOYSA-N 0 3 296.367 1.681 10 10 CDCEHN CCOc1ccc(C[NH2+]CC(=O)N(CC)OCC)c([O-])c1 ZINC000858219379 928821424 /nfs/dbraw/zinc/82/14/24/928821424.db2.gz JYRHVCUIRFBWNK-UHFFFAOYSA-N 0 3 296.367 1.681 10 10 CDCEHN COCCN(Cc1cccc(OC)c1O)[C@@H]1CCOC1 ZINC000787336156 929365359 /nfs/dbraw/zinc/36/53/59/929365359.db2.gz ZRDWXXASXGUDMD-CYBMUJFWSA-N 0 3 281.352 1.638 10 10 CDCEHN CCN1C[C@H](CN(C)Cc2ccccc2O)OC1=O ZINC000846824036 932133028 /nfs/dbraw/zinc/13/30/28/932133028.db2.gz GHIHDVMIFAFFMZ-LBPRGKRZSA-N 0 3 264.325 1.665 10 10 CDCEHN COc1cc(CN2CCN(C3CC3)CC2)c(O)cc1C ZINC000160063218 934414374 /nfs/dbraw/zinc/41/43/74/934414374.db2.gz UVRWLSRGAVOAOT-UHFFFAOYSA-N 0 3 276.380 1.989 10 10 CDCEHN C[C@]12COC[C@@H]1C[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC001327697300 955003298 /nfs/dbraw/zinc/00/32/98/955003298.db2.gz GQEAQRXHJDFXIQ-PJODQICGSA-N 0 3 291.347 1.286 10 10 CDCEHN C[C@]12COC[C@@H]1C[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC001327697300 955003305 /nfs/dbraw/zinc/00/33/05/955003305.db2.gz GQEAQRXHJDFXIQ-PJODQICGSA-N 0 3 291.347 1.286 10 10 CDCEHN COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)c([O-])c1 ZINC000849024835 969411981 /nfs/dbraw/zinc/41/19/81/969411981.db2.gz BLQHQWWKPJXQPV-LBPRGKRZSA-N 0 3 279.340 1.194 10 10 CDCEHN C[C@H](CO)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000123218917 360270218 /nfs/dbraw/zinc/27/02/18/360270218.db2.gz UHPHWGMFAWDZJY-BDAKNGLRSA-N 0 3 253.298 1.227 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000281807525 363844045 /nfs/dbraw/zinc/84/40/45/363844045.db2.gz PVWHZGOKSKOPDO-SKDRFNHKSA-N 0 3 264.325 1.158 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000271752241 364996506 /nfs/dbraw/zinc/99/65/06/364996506.db2.gz CBKORSGGEJNIAL-CQSZACIVSA-N 0 3 294.395 1.289 10 10 CDCEHN C[C@@H]([NH2+]CCN1CCCC1)c1cc(O)ccc1[O-] ZINC000020126886 171011759 /nfs/dbraw/zinc/01/17/59/171011759.db2.gz GPMMIIPHIJDYGT-LLVKDONJSA-N 0 3 250.342 1.844 10 10 CDCEHN CN(C)C(=O)C[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000037225437 173045315 /nfs/dbraw/zinc/04/53/15/173045315.db2.gz TWYQKALKKRZAJU-UHFFFAOYSA-N 0 3 258.321 1.723 10 10 CDCEHN COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)c([O-])c1 ZINC000042545242 174787084 /nfs/dbraw/zinc/78/70/84/174787084.db2.gz RSCILAVNICMRBN-WDEREUQCSA-N 0 3 250.342 1.756 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1C[C@@H]3OCCC[C@@H]13)OCO2 ZINC000249453916 329906732 /nfs/dbraw/zinc/90/67/32/329906732.db2.gz CXAIICQMLUOLPD-LOWVWBTDSA-N 0 3 277.320 1.778 10 10 CDCEHN O=C1NCCC[C@@H]1[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000050394406 527065190 /nfs/dbraw/zinc/06/51/90/527065190.db2.gz XCKRVPZHTJGGKW-AWEZNQCLSA-N 0 3 270.332 1.914 10 10 CDCEHN C[NH+](C)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731869613 575066711 /nfs/dbraw/zinc/06/67/11/575066711.db2.gz TXMRJYZIXLRKJR-UHFFFAOYSA-N 0 3 254.355 1.620 10 10 CDCEHN C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([O-])cs3)C[C@@]2(C)C1 ZINC000913278406 630421655 /nfs/dbraw/zinc/42/16/55/630421655.db2.gz GFHPABRQGQAYGC-OKILXGFUSA-N 0 3 280.393 1.868 10 10 CDCEHN C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc([O-])cs3)C[C@@]2(C)C1 ZINC000913278406 630421657 /nfs/dbraw/zinc/42/16/57/630421657.db2.gz GFHPABRQGQAYGC-OKILXGFUSA-N 0 3 280.393 1.868 10 10 CDCEHN CN1C[C@]2(C)CN(C(=O)C3=CC(=O)CS3)C[C@]2(C)C1 ZINC000913278406 630421660 /nfs/dbraw/zinc/42/16/60/630421660.db2.gz GFHPABRQGQAYGC-OKILXGFUSA-N 0 3 280.393 1.868 10 10 CDCEHN [O-]c1cccnc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793255294 1162406361 /nfs/dbraw/zinc/40/63/61/1162406361.db2.gz GFXBMSFOCXGNKJ-UHFFFAOYSA-N 0 3 274.276 1.511 10 10 CDCEHN COCCN(Cc1cc(OC)c(C)cc1O)[C@H]1CCOC1 ZINC000782954297 898856911 /nfs/dbraw/zinc/85/69/11/898856911.db2.gz MOWQSKMIMCKHCU-AWEZNQCLSA-N 0 3 295.379 1.947 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CCc3n[nH]nc3C2)cc1 ZINC000827877156 936611983 /nfs/dbraw/zinc/61/19/83/936611983.db2.gz JBXWEBFRLVDPJO-ARJAWSKDSA-N 0 3 283.379 1.942 10 10 CDCEHN CN(C)c1ccc(/C=C\CN(C)CC(C)(CO)CO)cc1 ZINC000835027101 936714466 /nfs/dbraw/zinc/71/44/66/936714466.db2.gz ZSKIODSFZSGXIW-WAYWQWQTSA-N 0 3 292.423 1.689 10 10 CDCEHN CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000702513166 922557740 /nfs/dbraw/zinc/55/77/40/922557740.db2.gz FBSRWWLCTMLVKH-BXUZGUMPSA-N 0 3 253.342 1.749 10 10 CDCEHN CN(Cc1cc[nH]n1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775690094 924833377 /nfs/dbraw/zinc/83/33/77/924833377.db2.gz BURYQRXCKWXNBH-UHFFFAOYSA-N 0 3 299.422 1.794 10 10 CDCEHN [O-]c1c(Br)cccc1CNCC12CC(C1)C[NH2+]2 ZINC000853246935 927989295 /nfs/dbraw/zinc/98/92/95/927989295.db2.gz WPWLFYUEXDXIKT-UHFFFAOYSA-N 0 3 297.196 1.996 10 10 CDCEHN NC1(C[NH2+]Cc2cccc(F)c2[O-])CCOCC1 ZINC000863482216 929559131 /nfs/dbraw/zinc/55/91/31/929559131.db2.gz WGFFABGUZXOCRV-UHFFFAOYSA-N 0 3 254.305 1.129 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655001 931475123 /nfs/dbraw/zinc/47/51/23/931475123.db2.gz SVCOQMYYPGTHIO-NILFDRSVSA-N 0 3 295.354 1.893 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655001 931475127 /nfs/dbraw/zinc/47/51/27/931475127.db2.gz SVCOQMYYPGTHIO-NILFDRSVSA-N 0 3 295.354 1.893 10 10 CDCEHN C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CN2CCC1CC2 ZINC001146873984 932350357 /nfs/dbraw/zinc/35/03/57/932350357.db2.gz NZAVXWGSZAXACQ-MRXNPFEDSA-N 0 3 290.363 1.241 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000931554856 933587857 /nfs/dbraw/zinc/58/78/57/933587857.db2.gz SQFONFLUGLOAIT-YXMPFFBPSA-N 0 3 263.337 1.847 10 10 CDCEHN C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000404193672 940957247 /nfs/dbraw/zinc/95/72/47/940957247.db2.gz LWZIDMOOIZQEMG-YGRLFVJLSA-N 0 3 269.316 1.723 10 10 CDCEHN C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000281648707 363825421 /nfs/dbraw/zinc/82/54/21/363825421.db2.gz BHTMTDAVMAHQSC-KCJUWKMLSA-N 0 3 252.289 1.288 10 10 CDCEHN CN(C)c1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170826686 365132846 /nfs/dbraw/zinc/13/28/46/365132846.db2.gz NWEYRUVMTCYGNH-HNNXBMFYSA-N 0 3 290.411 1.598 10 10 CDCEHN CCN1CCO[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000069658907 378488755 /nfs/dbraw/zinc/48/87/55/378488755.db2.gz YPBOIHDXFDCTRW-OAHLLOKOSA-N 0 3 276.380 1.432 10 10 CDCEHN CCC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000183418739 391264354 /nfs/dbraw/zinc/26/43/54/391264354.db2.gz ZQIPQDPSWBHDCS-DGCLKSJQSA-N 0 3 294.395 1.875 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000527955569 393005589 /nfs/dbraw/zinc/00/55/89/393005589.db2.gz MQJKLEWMAFVFSY-HERUPUMHSA-N 0 3 269.316 1.722 10 10 CDCEHN CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccccc1[O-] ZINC000527958854 393006021 /nfs/dbraw/zinc/00/60/21/393006021.db2.gz XEMVCNNGJPTKTN-AEGPPILISA-N 0 3 265.353 1.973 10 10 CDCEHN CC(C)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 ZINC000040458173 174268484 /nfs/dbraw/zinc/26/84/84/174268484.db2.gz YNACYAHPAFAWGQ-NSHDSACASA-N 0 3 266.341 1.130 10 10 CDCEHN Cc1cc([O-])c(CN2CCCO[C@H](C[NH3+])C2)c(Cl)c1 ZINC000841101252 618683207 /nfs/dbraw/zinc/68/32/07/618683207.db2.gz UILJZTHNBOHNIP-LLVKDONJSA-N 0 3 284.787 1.904 10 10 CDCEHN CN(C)C1(C(=O)NCc2cc(O)ccc2O)CCC1 ZINC001644754396 1167346961 /nfs/dbraw/zinc/34/69/61/1167346961.db2.gz VOIWNFOYMIELQP-UHFFFAOYSA-N 0 3 264.325 1.198 10 10 CDCEHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1c(O)cccc1O ZINC001645363400 1167397257 /nfs/dbraw/zinc/39/72/57/1167397257.db2.gz UBXKNVQXLIJZHV-GHMZBOCLSA-N 0 3 278.352 1.587 10 10 CDCEHN CC(C)N1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001643885025 1167277279 /nfs/dbraw/zinc/27/72/79/1167277279.db2.gz GJZPCMZMEMIKLH-CYBMUJFWSA-N 0 3 278.352 1.587 10 10 CDCEHN C[C@]12COC[C@@H]1C[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC001327697298 955003849 /nfs/dbraw/zinc/00/38/49/955003849.db2.gz GQEAQRXHJDFXIQ-PEYYIBSZSA-N 0 3 291.347 1.286 10 10 CDCEHN C[C@]12COC[C@@H]1C[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC001327697298 955003857 /nfs/dbraw/zinc/00/38/57/955003857.db2.gz GQEAQRXHJDFXIQ-PEYYIBSZSA-N 0 3 291.347 1.286 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c([O-])c1 ZINC001320775058 959383829 /nfs/dbraw/zinc/38/38/29/959383829.db2.gz LJQNBCUTBAFIOT-AWEZNQCLSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c([O-])c1 ZINC001320775058 959383844 /nfs/dbraw/zinc/38/38/44/959383844.db2.gz LJQNBCUTBAFIOT-AWEZNQCLSA-N 0 3 263.337 1.748 10 10 CDCEHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCO1 ZINC000042879609 358983789 /nfs/dbraw/zinc/98/37/89/358983789.db2.gz JNJKVWLTIOCURF-BXKDBHETSA-N 0 3 265.309 1.778 10 10 CDCEHN CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000284853953 368555617 /nfs/dbraw/zinc/55/56/17/368555617.db2.gz CVLVEKBXONYAJO-OCCSQVGLSA-N 0 3 285.359 1.779 10 10 CDCEHN COc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000371405382 370274510 /nfs/dbraw/zinc/27/45/10/370274510.db2.gz CVMUZEPAFLUJLU-CZUORRHYSA-N 0 3 293.363 1.829 10 10 CDCEHN CCOc1ccc(O)c(CN2CC[C@@H](NC(N)=O)C2)c1 ZINC000271335987 391293673 /nfs/dbraw/zinc/29/36/73/391293673.db2.gz NTZDPZHTTWGSHA-LLVKDONJSA-N 0 3 279.340 1.034 10 10 CDCEHN COc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000362240815 391716269 /nfs/dbraw/zinc/71/62/69/391716269.db2.gz WHFCSRDUGWEMGU-QKCSRTOESA-N 0 3 290.363 1.500 10 10 CDCEHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000163137158 392942296 /nfs/dbraw/zinc/94/22/96/392942296.db2.gz FQVROXFUDDEIDY-HIFRSBDPSA-N 0 3 263.337 1.820 10 10 CDCEHN COC(=O)CCNCc1ccc(N2CCCC2)cc1 ZINC000037252097 173063449 /nfs/dbraw/zinc/06/34/49/173063449.db2.gz GKAOFUSBZBSYDS-UHFFFAOYSA-N 0 3 262.353 1.940 10 10 CDCEHN CC[C@@H](C)N[C@@](C)(C(N)=O)c1ccc(N(C)C)cc1 ZINC000038064764 174075434 /nfs/dbraw/zinc/07/54/34/174075434.db2.gz GKBDHPTWXDZGIG-IAQYHMDHSA-N 0 3 263.385 1.841 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000185993601 262074881 /nfs/dbraw/zinc/07/48/81/262074881.db2.gz ZZHAYIYBGAKAQV-NWDGAFQWSA-N 0 3 272.352 1.958 10 10 CDCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000172960553 329141252 /nfs/dbraw/zinc/14/12/52/329141252.db2.gz JGRQRLRFKYSETE-MRXNPFEDSA-N 0 3 290.407 1.916 10 10 CDCEHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000172960553 329141253 /nfs/dbraw/zinc/14/12/53/329141253.db2.gz JGRQRLRFKYSETE-MRXNPFEDSA-N 0 3 290.407 1.916 10 10 CDCEHN CCN1CCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879315 521658305 /nfs/dbraw/zinc/65/83/05/521658305.db2.gz AAPQLTXJDFQDJK-LBPRGKRZSA-N 0 3 278.352 1.695 10 10 CDCEHN CNCc1cc(F)c(N2CCO[C@H](C)C2)c(F)c1 ZINC000062709193 522113947 /nfs/dbraw/zinc/11/39/47/522113947.db2.gz QFIDIUQPOJFSMY-SECBINFHSA-N 0 3 256.296 1.909 10 10 CDCEHN CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000714246286 679170803 /nfs/dbraw/zinc/17/08/03/679170803.db2.gz XXAUYAJRUNBLKD-XYPYZODXSA-N 0 3 255.339 1.057 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(F)ccc1[O-] ZINC000700232027 678008396 /nfs/dbraw/zinc/00/83/96/678008396.db2.gz KJSOUEICJBESGV-PWSUYJOCSA-N 0 3 268.332 1.513 10 10 CDCEHN [O-]c1ccc(Br)cc1CNC1=[NH+]CCCN1 ZINC000849214803 678058708 /nfs/dbraw/zinc/05/87/08/678058708.db2.gz RRFCTECEWVYQJZ-UHFFFAOYSA-N 0 3 284.157 1.594 10 10 CDCEHN CN(C)c1ccc(/C=C/CN(CCO)CCO)cc1 ZINC000862429998 678626003 /nfs/dbraw/zinc/62/60/03/678626003.db2.gz NIALTTCHULPYGC-ONEGZZNKSA-N 0 3 264.369 1.052 10 10 CDCEHN CN(C)c1ccc(/C=C/CNC2COCCOC2)cc1 ZINC000835056649 678915460 /nfs/dbraw/zinc/91/54/60/678915460.db2.gz WLHUNNYUODVXCL-ONEGZZNKSA-N 0 3 276.380 1.771 10 10 CDCEHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)OC)c([O-])c1 ZINC000826967288 679011751 /nfs/dbraw/zinc/01/17/51/679011751.db2.gz LBMFXWVTZMZMLL-OCCSQVGLSA-N 0 3 295.335 1.211 10 10 CDCEHN CN(C)c1cc(F)c(CNC2(CC(N)=O)CCC2)cc1F ZINC000862327176 679155371 /nfs/dbraw/zinc/15/53/71/679155371.db2.gz AVMRVYUEHWXUSS-UHFFFAOYSA-N 0 3 297.349 1.919 10 10 CDCEHN COc1ccc(C[NH2+]Cc2cnn3c2CCC3)c([O-])c1 ZINC000825754091 679488850 /nfs/dbraw/zinc/48/88/50/679488850.db2.gz ZTJUSLZSTRVAAC-UHFFFAOYSA-N 0 3 273.336 1.833 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(F)ccc1[O-] ZINC000927137016 679511845 /nfs/dbraw/zinc/51/18/45/679511845.db2.gz SZBLSOPNNINOOS-LKFCYVNXSA-N 0 3 279.315 1.649 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000841098139 679593797 /nfs/dbraw/zinc/59/37/97/679593797.db2.gz DJFBJLVMCHJVMU-GFCCVEGCSA-N 0 3 270.760 1.432 10 10 CDCEHN CCN(C(=O)c1cccc(O)c1O)[C@H]1CCN(C)C1 ZINC000693449242 896121907 /nfs/dbraw/zinc/12/19/07/896121907.db2.gz ZZFDOOREFAKJHP-JTQLQIEISA-N 0 3 264.325 1.264 10 10 CDCEHN CC(C)N(C)CC(=O)NCc1cc(O)ccc1O ZINC001176748564 914239627 /nfs/dbraw/zinc/23/96/27/914239627.db2.gz WRJGEOMIXXYXFB-UHFFFAOYSA-N 0 3 252.314 1.054 10 10 CDCEHN CCOc1ccc(N2CCN([C@@H](C)[C@@H](C)O)CC2)cc1 ZINC001168331527 909072724 /nfs/dbraw/zinc/07/27/24/909072724.db2.gz JQHXZNQNNWJGCX-UONOGXRCSA-N 0 3 278.396 1.977 10 10 CDCEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc(N)cc1 ZINC000364213777 358088345 /nfs/dbraw/zinc/08/83/45/358088345.db2.gz JKXRCDRRYSZEAI-WOSRLPQWSA-N 0 3 289.379 1.740 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](C)OC)cc1OC ZINC000191694691 358146542 /nfs/dbraw/zinc/14/65/42/358146542.db2.gz MKILXJQYYSDBNT-VHSXEESVSA-N 0 3 269.341 1.922 10 10 CDCEHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000284169768 368498875 /nfs/dbraw/zinc/49/88/75/368498875.db2.gz WWZIFJZBWJJVFW-GDBMZVCRSA-N 0 3 293.407 1.869 10 10 CDCEHN c1nc2n(n1)C[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069486454 378143802 /nfs/dbraw/zinc/14/38/02/378143802.db2.gz PRAWLPUYNNQVTA-CYBMUJFWSA-N 0 3 270.336 1.318 10 10 CDCEHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000035628494 172307305 /nfs/dbraw/zinc/30/73/05/172307305.db2.gz XBPQETPZCAZBQF-WDEREUQCSA-N 0 3 269.366 1.538 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(O)ccc1[O-] ZINC000038060268 174071071 /nfs/dbraw/zinc/07/10/71/174071071.db2.gz CCDHZQYTZXVMBW-ONGXEEELSA-N 0 3 253.298 1.164 10 10 CDCEHN O=C1N=C(N2CCNCC2)S/C1=C/c1ccc(O)cc1 ZINC000020413949 304655155 /nfs/dbraw/zinc/65/51/55/304655155.db2.gz JSPYWEHJFSGTMB-FMIVXFBMSA-N 0 3 289.360 1.268 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000228675197 329059035 /nfs/dbraw/zinc/05/90/35/329059035.db2.gz ICYMFNYFCGQXEM-NSHDSACASA-N 0 3 298.770 1.765 10 10 CDCEHN CC(C)C[C@H](CO)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000290318849 519357820 /nfs/dbraw/zinc/35/78/20/519357820.db2.gz CUNYTPHAPOERTO-GFCCVEGCSA-N 0 3 281.352 1.960 10 10 CDCEHN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000290318849 519357825 /nfs/dbraw/zinc/35/78/25/519357825.db2.gz CUNYTPHAPOERTO-GFCCVEGCSA-N 0 3 281.352 1.960 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000084062247 524764959 /nfs/dbraw/zinc/76/49/59/524764959.db2.gz UMFUXFRTARFCRF-MNOVXSKESA-N 0 3 278.352 1.672 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000094618340 525631482 /nfs/dbraw/zinc/63/14/82/525631482.db2.gz UMSWQHHKKCBMHV-MWLCHTKSSA-N 0 3 266.316 1.803 10 10 CDCEHN [O-]c1ccccc1C[NH+]1CCC(OCCCO)CC1 ZINC000770505233 575457542 /nfs/dbraw/zinc/45/75/42/575457542.db2.gz KGEPFEUHIMAJIY-UHFFFAOYSA-N 0 3 265.353 1.756 10 10 CDCEHN CCN(C)c1ccc(CN2CC[C@H](NC(N)=O)C2)cc1 ZINC000773809788 575839493 /nfs/dbraw/zinc/83/94/93/575839493.db2.gz AGYZBWPKVQHJLX-ZDUSSCGKSA-N 0 3 276.384 1.385 10 10 CDCEHN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000925319978 621324106 /nfs/dbraw/zinc/32/41/06/621324106.db2.gz WBTWFHHDYXSKDO-AAEUAGOBSA-N 0 3 277.368 1.626 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccccc1[O-] ZINC000927152434 621927292 /nfs/dbraw/zinc/92/72/92/621927292.db2.gz UPYMAPWZTIHXFG-WDEREUQCSA-N 0 3 272.352 1.729 10 10 CDCEHN OC1CCN(c2ccc(CNC3CSC3)cc2F)CC1 ZINC000782153627 679787051 /nfs/dbraw/zinc/78/70/51/679787051.db2.gz BXUUKVZMUNGPGR-UHFFFAOYSA-N 0 3 296.411 1.992 10 10 CDCEHN C[C@@H]([NH2+]C[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000879650206 679818524 /nfs/dbraw/zinc/81/85/24/679818524.db2.gz PMPKWQGJJZOGEB-BXUZGUMPSA-N 0 3 251.326 1.584 10 10 CDCEHN COC[C@H]1CCN1Cc1cc(OC)c(C)cc1O ZINC000840082915 679846759 /nfs/dbraw/zinc/84/67/59/679846759.db2.gz IUFXECCGTZWRMV-GFCCVEGCSA-N 0 3 251.326 1.930 10 10 CDCEHN Cc1cccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O ZINC000843428649 679872585 /nfs/dbraw/zinc/87/25/85/679872585.db2.gz LNYSJXWVLXNQQE-ZDUSSCGKSA-N 0 3 291.395 1.252 10 10 CDCEHN CCOc1ccc(C[NH2+][C@H](CCOC)COC)c([O-])c1 ZINC000810173873 681852691 /nfs/dbraw/zinc/85/26/91/681852691.db2.gz KQEFGHGUMULLCX-CYBMUJFWSA-N 0 3 283.368 1.932 10 10 CDCEHN CCOc1ccc(O)c(CNCC(=O)N(C)OCC)c1 ZINC000846063729 681940675 /nfs/dbraw/zinc/94/06/75/681940675.db2.gz XGIHMIODIQIJQZ-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN CC(C)(CNS(C)(=O)=O)NCc1ccc2c(c1)CCO2 ZINC000708342908 682630881 /nfs/dbraw/zinc/63/08/81/682630881.db2.gz KOSHJJUHWWRRSQ-UHFFFAOYSA-N 0 3 298.408 1.039 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000776251073 682642249 /nfs/dbraw/zinc/64/22/49/682642249.db2.gz PKPQNKUDLKOJLU-QMMMGPOBSA-N 0 3 256.733 1.708 10 10 CDCEHN Cc1cc([O-])c(CN2CCO[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000843056022 682743234 /nfs/dbraw/zinc/74/32/34/682743234.db2.gz CIVMDZPBWOZKSW-HZMBPMFUSA-N 0 3 284.787 1.902 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CCC[C@](O)(CO)C2)cc1 ZINC000839156690 682819838 /nfs/dbraw/zinc/81/98/38/682819838.db2.gz LUZUWQRGXFCDBV-NJELEJDNSA-N 0 3 290.407 1.585 10 10 CDCEHN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(C)cc1[O-] ZINC000818361973 682827823 /nfs/dbraw/zinc/82/78/23/682827823.db2.gz MOGAKPKVTDIYAN-STQMWFEESA-N 0 3 290.363 1.889 10 10 CDCEHN [O-]c1ccccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846054578 683197641 /nfs/dbraw/zinc/19/76/41/683197641.db2.gz CBHLMLFWAOIXHP-UHFFFAOYSA-N 0 3 272.352 1.896 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)C1(O)CCC1)c1ccccc1[O-] ZINC000931554005 683600885 /nfs/dbraw/zinc/60/08/85/683600885.db2.gz JYSAPKUICDKRFE-GWCFXTLKSA-N 0 3 251.326 1.319 10 10 CDCEHN CC[C@@H]([NH2+]CCc1nnnn1C)c1ccc(C)cc1[O-] ZINC000794812649 684107262 /nfs/dbraw/zinc/10/72/62/684107262.db2.gz YHFUYEMXWMLLRF-GFCCVEGCSA-N 0 3 275.356 1.508 10 10 CDCEHN CCOc1ccc(C[NH2+]C2(CC(N)=O)CCC2)c([O-])c1 ZINC000789555678 684149710 /nfs/dbraw/zinc/14/97/10/684149710.db2.gz XBBNBIVFVZNGNB-UHFFFAOYSA-N 0 3 278.352 1.679 10 10 CDCEHN COc1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000060285750 684197156 /nfs/dbraw/zinc/19/71/56/684197156.db2.gz SNJPOBZVZUZXDP-HZPDHXFCSA-N 0 3 276.380 1.731 10 10 CDCEHN COc1ccc(O)c(CNCC(=O)NCC2CC2)c1 ZINC000393126341 1187285827 /nfs/dbraw/zinc/28/58/27/1187285827.db2.gz QHYRBOHBTYCDCJ-UHFFFAOYSA-N 0 3 264.325 1.017 10 10 CDCEHN C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000404150529 897085735 /nfs/dbraw/zinc/08/57/35/897085735.db2.gz NCTBCYAXEUKWES-FZMZJTMJSA-N 0 3 251.326 1.584 10 10 CDCEHN C[C@@H](CN1CCOCC1)C[N@H+](C)Cc1ccccc1[O-] ZINC001167735336 899553864 /nfs/dbraw/zinc/55/38/64/899553864.db2.gz ZDLPKVZGSFMEGL-CQSZACIVSA-N 0 3 278.396 1.792 10 10 CDCEHN C[C@@H](CN1CCOCC1)C[N@@H+](C)Cc1ccccc1[O-] ZINC001167735336 899553869 /nfs/dbraw/zinc/55/38/69/899553869.db2.gz ZDLPKVZGSFMEGL-CQSZACIVSA-N 0 3 278.396 1.792 10 10 CDCEHN CN(C)c1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000714244239 909717002 /nfs/dbraw/zinc/71/70/02/909717002.db2.gz CBDSXDIYVKDGLJ-MQMHXKEQSA-N 0 3 282.409 1.418 10 10 CDCEHN COCCN1CCN(Cc2cc(F)ccc2O)C[C@H]1C ZINC000180100012 357243713 /nfs/dbraw/zinc/24/37/13/357243713.db2.gz OZDOYLRZCVGBOV-GFCCVEGCSA-N 0 3 282.359 1.684 10 10 CDCEHN CO[C@](C)(CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000702536719 685076669 /nfs/dbraw/zinc/07/66/69/685076669.db2.gz JSOHOTXBURGURF-RISCZKNCSA-N 0 3 251.326 1.367 10 10 CDCEHN O=C1N=C(N2CCNCC2)S/C1=C/c1ccccc1F ZINC000020413955 171183091 /nfs/dbraw/zinc/18/30/91/171183091.db2.gz ZVLDKAGGULQIPV-FMIVXFBMSA-N 0 3 291.351 1.701 10 10 CDCEHN C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(O)cc1[O-] ZINC000038047225 174057336 /nfs/dbraw/zinc/05/73/36/174057336.db2.gz MCWZWESJVWQDJW-VIFPVBQESA-N 0 3 273.354 1.183 10 10 CDCEHN CCNC(=O)CN(C)c1c(F)cc(CNC)cc1F ZINC000062712888 521736112 /nfs/dbraw/zinc/73/61/12/521736112.db2.gz WLXSCIDVTHQJLU-UHFFFAOYSA-N 0 3 271.311 1.257 10 10 CDCEHN CCOc1ccc([O-])c(C[NH2+]CCc2cn[nH]c2)c1 ZINC000289960016 521153154 /nfs/dbraw/zinc/15/31/54/521153154.db2.gz VGRSLGHJFHVFPE-UHFFFAOYSA-N 0 3 261.325 1.846 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000084059357 524752843 /nfs/dbraw/zinc/75/28/43/524752843.db2.gz YNUIKLPBMFVUEY-LLVKDONJSA-N 0 3 264.325 1.111 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071299303 524763129 /nfs/dbraw/zinc/76/31/29/524763129.db2.gz BBHFGEAIPUNXDL-YMTOWFKASA-N 0 3 251.326 1.822 10 10 CDCEHN CCOc1ccc(C[NH2+][C@H]2CCCNC2=O)c([O-])c1 ZINC000725850321 574444861 /nfs/dbraw/zinc/44/48/61/574444861.db2.gz YYWQZQHLKFSOJL-LBPRGKRZSA-N 0 3 264.325 1.159 10 10 CDCEHN CCOc1ccc(CN2CCC[C@@H]2C(=O)NC)c(O)c1 ZINC000768906853 576317013 /nfs/dbraw/zinc/31/70/13/576317013.db2.gz QROQGSQYCHWGAW-CYBMUJFWSA-N 0 3 278.352 1.501 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN1CCOC[C@H](O)C1 ZINC000840950611 617731364 /nfs/dbraw/zinc/73/13/64/617731364.db2.gz LYAHUTXFZBZHTG-OAHLLOKOSA-N 0 3 264.369 1.254 10 10 CDCEHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c(O)c1O ZINC000928431775 619030511 /nfs/dbraw/zinc/03/05/11/619030511.db2.gz AVPCCJLJSWMNEF-MWLCHTKSSA-N 0 3 264.325 1.229 10 10 CDCEHN Cc1cc(Br)cc(CNCc2cn[nH]n2)c1O ZINC000862424476 685319488 /nfs/dbraw/zinc/31/94/88/685319488.db2.gz PDZNAJNCIYDXNW-UHFFFAOYSA-N 0 3 297.156 1.871 10 10 CDCEHN CO[C@@]1(C[NH2+][C@@H](C)c2ccccc2[O-])CCS(=O)(=O)C1 ZINC000721220772 685362778 /nfs/dbraw/zinc/36/27/78/685362778.db2.gz ZZYUBNYONFZIOM-SMDDNHRTSA-N 0 3 299.392 1.247 10 10 CDCEHN CN(C)c1cc(F)c(CN[C@H]2C[C@@H](C(N)=O)C2)cc1F ZINC000858185326 685556290 /nfs/dbraw/zinc/55/62/90/685556290.db2.gz UCDHVIRQVQUFCG-WAAGHKOSSA-N 0 3 283.322 1.384 10 10 CDCEHN CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000825068254 684555049 /nfs/dbraw/zinc/55/50/49/684555049.db2.gz LCNHJXVNWHJJGD-VIFPVBQESA-N 0 3 270.760 1.968 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000827281704 684705503 /nfs/dbraw/zinc/70/55/03/684705503.db2.gz JSFUVZMYCFEHCZ-XHDPSFHLSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000827281704 684705505 /nfs/dbraw/zinc/70/55/05/684705505.db2.gz JSFUVZMYCFEHCZ-XHDPSFHLSA-N 0 3 263.337 1.869 10 10 CDCEHN Oc1cc2c(cc1CN1CC3(C1)CCOCC3)OCO2 ZINC000839141768 685070029 /nfs/dbraw/zinc/07/00/29/685070029.db2.gz ZKRKCGMDZKEPMK-UHFFFAOYSA-N 0 3 277.320 1.733 10 10 CDCEHN C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CS1(=O)=O ZINC000850369541 686050876 /nfs/dbraw/zinc/05/08/76/686050876.db2.gz VZZNHMVIWAVQLO-JQWIXIFHSA-N 0 3 269.366 1.448 10 10 CDCEHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000132098653 686745048 /nfs/dbraw/zinc/74/50/48/686745048.db2.gz FKDUEBNPZRUSPS-AWEZNQCLSA-N 0 3 294.370 1.883 10 10 CDCEHN CCN(OC)C(=O)CNCc1cccc(C)c1O ZINC000843431016 686838867 /nfs/dbraw/zinc/83/88/67/686838867.db2.gz UQASZEVMUMACHA-UHFFFAOYSA-N 0 3 252.314 1.200 10 10 CDCEHN CCc1cccc(CN2CCOC[C@H](O)C2)c1O ZINC000848915695 686943042 /nfs/dbraw/zinc/94/30/42/686943042.db2.gz LUWPUAYHKOGGNZ-CYBMUJFWSA-N 0 3 251.326 1.148 10 10 CDCEHN CCNC(=O)C1CN(Cc2cc(C)c(C)cc2O)C1 ZINC000839138497 687392643 /nfs/dbraw/zinc/39/26/43/687392643.db2.gz MYTRZZAWQFNKNR-UHFFFAOYSA-N 0 3 262.353 1.577 10 10 CDCEHN CN1C(=O)CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000312836538 687411125 /nfs/dbraw/zinc/41/11/25/687411125.db2.gz OJZBVNDBRLGCKH-MNOVXSKESA-N 0 3 274.320 1.117 10 10 CDCEHN CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC ZINC000697901703 937287660 /nfs/dbraw/zinc/28/76/60/937287660.db2.gz AJMVVYHZEAGNAB-SMDDNHRTSA-N 0 3 263.385 1.928 10 10 CDCEHN COCCOCCC[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000020192235 171058335 /nfs/dbraw/zinc/05/83/35/171058335.db2.gz HMQXVGQDZOPECF-NSHDSACASA-N 0 3 269.341 1.802 10 10 CDCEHN COC(=O)CCC[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000037416988 173194304 /nfs/dbraw/zinc/19/43/04/173194304.db2.gz ZAXLVNSRPWKUJI-SECBINFHSA-N 0 3 253.298 1.702 10 10 CDCEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000091666857 260266618 /nfs/dbraw/zinc/26/66/18/260266618.db2.gz TWIDBAMJVSMIEU-XJKSGUPXSA-N 0 3 277.412 1.734 10 10 CDCEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(N)cc1 ZINC000364213779 281460447 /nfs/dbraw/zinc/46/04/47/281460447.db2.gz JKXRCDRRYSZEAI-ZENOOKHLSA-N 0 3 289.379 1.740 10 10 CDCEHN CCOc1cccc(CN[C@H]2CCCNC2=O)c1O ZINC000050394348 521375819 /nfs/dbraw/zinc/37/58/19/521375819.db2.gz MGECQZSKCMVSTR-NSHDSACASA-N 0 3 264.325 1.159 10 10 CDCEHN COc1cc([O-])c(C[NH2+]CCc2cn[nH]c2)cc1OC ZINC000291573815 522778632 /nfs/dbraw/zinc/77/86/32/522778632.db2.gz OBVXQBILZXGQDK-UHFFFAOYSA-N 0 3 277.324 1.465 10 10 CDCEHN CC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000096478639 523671920 /nfs/dbraw/zinc/67/19/20/523671920.db2.gz MZHBLGAOIRGWMU-CYBMUJFWSA-N 0 3 253.298 1.372 10 10 CDCEHN Cc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000279375503 524408741 /nfs/dbraw/zinc/40/87/41/524408741.db2.gz IJHPIMRLXICHJY-OAHLLOKOSA-N 0 3 260.337 1.413 10 10 CDCEHN Cc1cccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000279375503 524408748 /nfs/dbraw/zinc/40/87/48/524408748.db2.gz IJHPIMRLXICHJY-OAHLLOKOSA-N 0 3 260.337 1.413 10 10 CDCEHN CNC(=O)[C@@H](NCc1ccc(N(C)C)cc1)C(C)C ZINC000771989739 575645848 /nfs/dbraw/zinc/64/58/48/575645848.db2.gz POXBRZOZRMUVQA-AWEZNQCLSA-N 0 3 263.385 1.613 10 10 CDCEHN C[N@H+](CCO[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000929976040 695140556 /nfs/dbraw/zinc/14/05/56/695140556.db2.gz LXCYCYBPNMWOKN-CYBMUJFWSA-N 0 3 251.326 1.630 10 10 CDCEHN C[N@@H+](CCO[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000929976040 695140563 /nfs/dbraw/zinc/14/05/63/695140563.db2.gz LXCYCYBPNMWOKN-CYBMUJFWSA-N 0 3 251.326 1.630 10 10 CDCEHN CCOc1ccc(C[NH2+]CC[C@](C)(O)COC)c([O-])c1 ZINC000824558957 694077172 /nfs/dbraw/zinc/07/71/72/694077172.db2.gz ALTXXUUEFBABBS-HNNXBMFYSA-N 0 3 283.368 1.668 10 10 CDCEHN CCc1cccc(CN2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000848887073 688466799 /nfs/dbraw/zinc/46/67/99/688466799.db2.gz NDESGYJYSNBWLL-CYBMUJFWSA-N 0 3 298.408 1.208 10 10 CDCEHN O=C1CCC2=C(CC[N@@H+](Cc3ccccc3[O-])C2)N1 ZINC000826781374 688552614 /nfs/dbraw/zinc/55/26/14/688552614.db2.gz ZJWUHAVXOQXLPI-UHFFFAOYSA-N 0 3 258.321 1.762 10 10 CDCEHN O=C1CCC2=C(CC[N@H+](Cc3ccccc3[O-])C2)N1 ZINC000826781374 688552625 /nfs/dbraw/zinc/55/26/25/688552625.db2.gz ZJWUHAVXOQXLPI-UHFFFAOYSA-N 0 3 258.321 1.762 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1CCC2(COC2)O1)c1ccccc1[O-] ZINC000931554317 692389557 /nfs/dbraw/zinc/38/95/57/692389557.db2.gz NUXUJBHALPPANC-NWDGAFQWSA-N 0 3 263.337 1.991 10 10 CDCEHN C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129899 693011453 /nfs/dbraw/zinc/01/14/53/693011453.db2.gz HOJYHHHEYZDWTA-GWCFXTLKSA-N 0 3 269.316 1.503 10 10 CDCEHN C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129899 693011459 /nfs/dbraw/zinc/01/14/59/693011459.db2.gz HOJYHHHEYZDWTA-GWCFXTLKSA-N 0 3 269.316 1.503 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845666 693308902 /nfs/dbraw/zinc/30/89/02/693308902.db2.gz LENUKLQIGVLESQ-LLVKDONJSA-N 0 3 276.315 1.645 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845666 693308907 /nfs/dbraw/zinc/30/89/07/693308907.db2.gz LENUKLQIGVLESQ-LLVKDONJSA-N 0 3 276.315 1.645 10 10 CDCEHN Nc1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000841298779 693358554 /nfs/dbraw/zinc/35/85/54/693358554.db2.gz GGCPSGCTMZTPHJ-CQSZACIVSA-N 0 3 292.383 1.237 10 10 CDCEHN Cn1nccc1[C@H](CO)N[C@H]1CCc2cccc(O)c21 ZINC000858435428 693409967 /nfs/dbraw/zinc/40/99/67/693409967.db2.gz IBLYVZLBOBZUCN-RYUDHWBXSA-N 0 3 273.336 1.436 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000822520682 694889594 /nfs/dbraw/zinc/88/95/94/694889594.db2.gz LMKRVWKFMGMQRO-LLVKDONJSA-N 0 3 296.754 1.591 10 10 CDCEHN COCCN(C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868217258 1164921526 /nfs/dbraw/zinc/92/15/26/1164921526.db2.gz RTQNSIXEORTKNG-LBPRGKRZSA-N 0 3 295.383 1.331 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827595903 723212266 /nfs/dbraw/zinc/21/22/66/723212266.db2.gz SQCPGXAIGBBTIK-NEPJUHHUSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000827595903 723212269 /nfs/dbraw/zinc/21/22/69/723212269.db2.gz SQCPGXAIGBBTIK-NEPJUHHUSA-N 0 3 263.337 1.869 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccccc1[O-] ZINC000927152433 723411753 /nfs/dbraw/zinc/41/17/53/723411753.db2.gz UPYMAPWZTIHXFG-QWRGUYRKSA-N 0 3 272.352 1.729 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCOC1 ZINC000784663173 723067932 /nfs/dbraw/zinc/06/79/32/723067932.db2.gz LAHZBVVNHBRILJ-LLVKDONJSA-N 0 3 251.326 1.917 10 10 CDCEHN O=C(c1cc([O-])cs1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856256665 928571575 /nfs/dbraw/zinc/57/15/75/928571575.db2.gz NFJAFDCGAJQKJS-NSHDSACASA-N 0 3 296.392 1.125 10 10 CDCEHN O=C(c1cc([O-])cs1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856256665 928571583 /nfs/dbraw/zinc/57/15/83/928571583.db2.gz NFJAFDCGAJQKJS-NSHDSACASA-N 0 3 296.392 1.125 10 10 CDCEHN CCOCc1cc(CN[C@@](C)(CO)COC)ccc1OC ZINC000777483335 931478320 /nfs/dbraw/zinc/47/83/20/931478320.db2.gz NEWBKPHXOZBPQC-INIZCTEOSA-N 0 3 297.395 1.719 10 10 CDCEHN NC(=O)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001324777143 953570860 /nfs/dbraw/zinc/57/08/60/953570860.db2.gz WSUQEMQHULOBAK-AWEZNQCLSA-N 0 3 288.395 1.529 10 10 CDCEHN Cc1cc(O)c(CN2CCO[C@@H](CN(C)C)C2)cc1C ZINC000152975654 363344774 /nfs/dbraw/zinc/34/47/74/363344774.db2.gz CADXZQPTPYYYDW-HNNXBMFYSA-N 0 3 278.396 1.771 10 10 CDCEHN COC[C@](C)(CCO)NCc1ccc(OC)c(C)c1 ZINC000267358570 363804976 /nfs/dbraw/zinc/80/49/76/363804976.db2.gz NITYZBJITLQJJD-HNNXBMFYSA-N 0 3 267.369 1.881 10 10 CDCEHN Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([O-])c1O ZINC000182594739 391237781 /nfs/dbraw/zinc/23/77/81/391237781.db2.gz OLHRHVUFVZNFPX-AAEUAGOBSA-N 0 3 292.379 1.865 10 10 CDCEHN Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([O-])c1O ZINC000182594739 391237782 /nfs/dbraw/zinc/23/77/82/391237782.db2.gz OLHRHVUFVZNFPX-AAEUAGOBSA-N 0 3 292.379 1.865 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000183596936 391266536 /nfs/dbraw/zinc/26/65/36/391266536.db2.gz PJYPKRDXIBHVFA-WDEREUQCSA-N 0 3 258.325 1.649 10 10 CDCEHN COc1ccc(C[NH2+][C@@H](C)CCN(C)C)c([O-])c1 ZINC000049554485 524074042 /nfs/dbraw/zinc/07/40/42/524074042.db2.gz YXGCEGBXBFBZGR-NSHDSACASA-N 0 3 252.358 1.831 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCNC1=O ZINC000772799083 575754885 /nfs/dbraw/zinc/75/48/85/575754885.db2.gz WRSZESBCVPXDJA-CYBMUJFWSA-N 0 3 262.353 1.883 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCNC1=O ZINC000772799083 575754886 /nfs/dbraw/zinc/75/48/86/575754886.db2.gz WRSZESBCVPXDJA-CYBMUJFWSA-N 0 3 262.353 1.883 10 10 CDCEHN C[C@@H](N[C@@H]1CNOC1)c1cc2c(cc1O)CCCC2 ZINC000925861551 617902310 /nfs/dbraw/zinc/90/23/10/617902310.db2.gz FHXMINNTVBKPNM-ZWNOBZJWSA-N 0 3 262.353 1.825 10 10 CDCEHN COc1ccc(O)c(CNCc2cnn3c2CCC3)c1 ZINC000850137596 695510317 /nfs/dbraw/zinc/51/03/17/695510317.db2.gz SUQBFCNQICSHII-UHFFFAOYSA-N 0 3 273.336 1.833 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@@](C)(CO)OC)c([O-])c1 ZINC000848560869 695742609 /nfs/dbraw/zinc/74/26/09/695742609.db2.gz RRQFPAWGNLKFPW-AWEZNQCLSA-N 0 3 269.341 1.278 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCC[C@@H](CO)C1)OCO2 ZINC000312375828 696016154 /nfs/dbraw/zinc/01/61/54/696016154.db2.gz DCZRWDYUDACKQM-PWSUYJOCSA-N 0 3 279.336 1.762 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H](O)C(F)F)CC2 ZINC000716769376 696107176 /nfs/dbraw/zinc/10/71/76/696107176.db2.gz KLXZZPQIQHBAQQ-MWLCHTKSSA-N 0 3 257.280 1.985 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)[C@H](C)C2)cc1Cl ZINC000825567660 1164724751 /nfs/dbraw/zinc/72/47/51/1164724751.db2.gz LTXIMPRDKCZNTF-GFCCVEGCSA-N 0 3 298.814 1.852 10 10 CDCEHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388331 723926235 /nfs/dbraw/zinc/92/62/35/723926235.db2.gz LGDVCXBYNUCVOJ-UONOGXRCSA-N 0 3 263.337 1.794 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC[C@]1(O)CCOC1 ZINC000846050546 724171460 /nfs/dbraw/zinc/17/14/60/724171460.db2.gz UQEJUIUVCFODQJ-AWEZNQCLSA-N 0 3 267.325 1.032 10 10 CDCEHN [O-]c1ccc(Cl)cc1CNCC12CC(C1)C[NH2+]2 ZINC000853246701 724219604 /nfs/dbraw/zinc/21/96/04/724219604.db2.gz QEEGXKXGECOFGB-UHFFFAOYSA-N 0 3 252.745 1.887 10 10 CDCEHN COc1ccc(N(C)CCN(C)C[C@](C)(O)C(C)=O)cc1 ZINC000844401437 724273405 /nfs/dbraw/zinc/27/34/05/724273405.db2.gz LMSSOYDXCJVLQB-INIZCTEOSA-N 0 3 294.395 1.403 10 10 CDCEHN COc1ccc2c(c1)CCCN2C[C@H]1CNCCO1 ZINC000852745150 724549286 /nfs/dbraw/zinc/54/92/86/724549286.db2.gz PCMITVKMQCZSIN-CQSZACIVSA-N 0 3 262.353 1.436 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccccc1[O-] ZINC000931554852 723756307 /nfs/dbraw/zinc/75/63/07/723756307.db2.gz SQFONFLUGLOAIT-MCYUEQNJSA-N 0 3 263.337 1.847 10 10 CDCEHN COc1cccc(CNCC(=O)NCc2ccco2)c1O ZINC000237188560 725236253 /nfs/dbraw/zinc/23/62/53/725236253.db2.gz AJTVVYPLKWZWPZ-UHFFFAOYSA-N 0 3 290.319 1.400 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(F)ccc1[O-] ZINC000724622559 725265971 /nfs/dbraw/zinc/26/59/71/725265971.db2.gz IOMVLOZZXVJZEH-FCIGDQIPSA-N 0 3 281.327 1.986 10 10 CDCEHN O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000824455183 725310655 /nfs/dbraw/zinc/31/06/55/725310655.db2.gz QSFPJIDJOVYHLI-LLVKDONJSA-N 0 3 294.326 1.805 10 10 CDCEHN O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000824455183 725310658 /nfs/dbraw/zinc/31/06/58/725310658.db2.gz QSFPJIDJOVYHLI-LLVKDONJSA-N 0 3 294.326 1.805 10 10 CDCEHN CN(CC1CN(C)C1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855638566 725336964 /nfs/dbraw/zinc/33/69/64/725336964.db2.gz LUKZTTFYLQQBNG-XQRVVYSFSA-N 0 3 276.336 1.131 10 10 CDCEHN CCON(CC)C(=O)CNCc1cc2c(cc1O)OCO2 ZINC000858219037 725390672 /nfs/dbraw/zinc/39/06/72/725390672.db2.gz CKXHLEIWDHQYCU-UHFFFAOYSA-N 0 3 296.323 1.011 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655051 725423342 /nfs/dbraw/zinc/42/33/42/725423342.db2.gz SZFFIISYITWQJL-KFWWJZLASA-N 0 3 277.364 1.754 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655051 725423344 /nfs/dbraw/zinc/42/33/44/725423344.db2.gz SZFFIISYITWQJL-KFWWJZLASA-N 0 3 277.364 1.754 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927128713 725590149 /nfs/dbraw/zinc/59/01/49/725590149.db2.gz DQFNTWMDCYCNOF-HZMBPMFUSA-N 0 3 261.325 1.510 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1(S(C)(=O)=O)CC1 ZINC000834799157 725683470 /nfs/dbraw/zinc/68/34/70/725683470.db2.gz WVTSEYKIVRRESZ-CMPLNLGQSA-N 0 3 295.404 1.935 10 10 CDCEHN CN1CCC[NH+]=C1NCc1cc(Br)ccc1[O-] ZINC000849027651 725976253 /nfs/dbraw/zinc/97/62/53/725976253.db2.gz ALOWZZIODQVQKN-UHFFFAOYSA-N 0 3 298.184 1.936 10 10 CDCEHN CNC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001169079380 927707304 /nfs/dbraw/zinc/70/73/04/927707304.db2.gz NSZKNXRJVWLDPT-CYBMUJFWSA-N 0 3 276.384 1.256 10 10 CDCEHN C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CN2CCC1CC2 ZINC001146873983 932349991 /nfs/dbraw/zinc/34/99/91/932349991.db2.gz NZAVXWGSZAXACQ-INIZCTEOSA-N 0 3 290.363 1.241 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@]1(O)CCOC1)CC2 ZINC000404214918 940958059 /nfs/dbraw/zinc/95/80/59/940958059.db2.gz SPWHUKXSRFMXJH-DOMZBBRYSA-N 0 3 263.337 1.511 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093739659 342235881 /nfs/dbraw/zinc/23/58/81/342235881.db2.gz SPYKCMHVNKTABS-INIZCTEOSA-N 0 3 291.439 1.641 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(O)CCOCC2)c1 ZINC000162583791 362758089 /nfs/dbraw/zinc/75/80/89/362758089.db2.gz XWRMJJGPHRBVAN-NSHDSACASA-N 0 3 281.352 1.593 10 10 CDCEHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 ZINC000059848311 348881743 /nfs/dbraw/zinc/88/17/43/348881743.db2.gz WINLPRNPBKQCDU-NOZJJQNGSA-N 0 3 266.341 1.130 10 10 CDCEHN [O-]c1c(O)cccc1C[NH2+]CCOCC(F)(F)F ZINC000104433880 186000699 /nfs/dbraw/zinc/00/06/99/186000699.db2.gz YKZJGAIONVDNBU-UHFFFAOYSA-N 0 3 265.231 1.766 10 10 CDCEHN Cc1cc(O)c(CN2CCOC[C@H](O)C2)cc1C ZINC000294871891 199224528 /nfs/dbraw/zinc/22/45/28/199224528.db2.gz UUEWYTSNHUJRPO-CYBMUJFWSA-N 0 3 251.326 1.202 10 10 CDCEHN Oc1cc2c(cc1CN1CCC[C@@]13CCOC3)OCO2 ZINC000368487063 360681570 /nfs/dbraw/zinc/68/15/70/360681570.db2.gz GGLKPEWUYDITNG-HNNXBMFYSA-N 0 3 277.320 1.876 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]13CCOC3)OCO2 ZINC000368487063 360681575 /nfs/dbraw/zinc/68/15/75/360681575.db2.gz GGLKPEWUYDITNG-HNNXBMFYSA-N 0 3 277.320 1.876 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]13CCOC3)OCO2 ZINC000368487063 360681578 /nfs/dbraw/zinc/68/15/78/360681578.db2.gz GGLKPEWUYDITNG-HNNXBMFYSA-N 0 3 277.320 1.876 10 10 CDCEHN COC[C@](C)(CCO)NCc1ccc(N(C)C)c(F)c1 ZINC000267336127 363798036 /nfs/dbraw/zinc/79/80/36/363798036.db2.gz IUHKKQMHRIGCQH-HNNXBMFYSA-N 0 3 284.375 1.769 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000245803096 376180456 /nfs/dbraw/zinc/18/04/56/376180456.db2.gz YBGDGHIRDULDLV-HOCLYGCPSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000245803096 376180460 /nfs/dbraw/zinc/18/04/60/376180460.db2.gz YBGDGHIRDULDLV-HOCLYGCPSA-N 0 3 290.407 1.853 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC ZINC000076074316 390791308 /nfs/dbraw/zinc/79/13/08/390791308.db2.gz ZOTSLWIARHIFAJ-ZDUSSCGKSA-N 0 3 253.342 1.612 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC ZINC000076074316 390791310 /nfs/dbraw/zinc/79/13/10/390791310.db2.gz ZOTSLWIARHIFAJ-ZDUSSCGKSA-N 0 3 253.342 1.612 10 10 CDCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000185993616 262075262 /nfs/dbraw/zinc/07/52/62/262075262.db2.gz ZZHAYIYBGAKAQV-NEPJUHHUSA-N 0 3 272.352 1.958 10 10 CDCEHN CCOC(CNCc1cccc(OC)c1O)OCC ZINC000001719192 279651675 /nfs/dbraw/zinc/65/16/75/279651675.db2.gz ZQDDJQZXXDQBQU-UHFFFAOYSA-N 0 3 269.341 1.890 10 10 CDCEHN COc1cc(C)cc(CN2CCCOCC2)c1O ZINC000754719641 576912191 /nfs/dbraw/zinc/91/21/91/576912191.db2.gz FUEKKPUOWNVIFG-UHFFFAOYSA-N 0 3 251.326 1.932 10 10 CDCEHN CCOc1ccc(C[NH2+][C@@](C)(CCO)COC)c([O-])c1 ZINC000749923216 576968504 /nfs/dbraw/zinc/96/85/04/576968504.db2.gz QRSUUMYPUIFBPG-HNNXBMFYSA-N 0 3 283.368 1.668 10 10 CDCEHN C[C@H]1C[C@H](N[C@H]2CNOC2)c2c1c(F)ccc2O ZINC000925870630 617927152 /nfs/dbraw/zinc/92/71/52/617927152.db2.gz ZEFBLQYKTCBNAU-NRPADANISA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@H]1C[C@H]([NH2+][C@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925870630 617927160 /nfs/dbraw/zinc/92/71/60/617927160.db2.gz ZEFBLQYKTCBNAU-NRPADANISA-N 0 3 252.289 1.573 10 10 CDCEHN OCC[C@@H]1CSCCN1Cc1cc(F)ccc1O ZINC000779028755 726119392 /nfs/dbraw/zinc/11/93/92/726119392.db2.gz KUQAPOYMNUTWDF-GFCCVEGCSA-N 0 3 271.357 1.831 10 10 CDCEHN O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000824451446 726131208 /nfs/dbraw/zinc/13/12/08/726131208.db2.gz XIWHBFKBPYUTCB-GFCCVEGCSA-N 0 3 276.336 1.666 10 10 CDCEHN O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000824451446 726131210 /nfs/dbraw/zinc/13/12/10/726131210.db2.gz XIWHBFKBPYUTCB-GFCCVEGCSA-N 0 3 276.336 1.666 10 10 CDCEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CO)C1CCCC1 ZINC000929635839 726850763 /nfs/dbraw/zinc/85/07/63/726850763.db2.gz PYEVTTVNHVWLMK-CQSZACIVSA-N 0 3 265.353 1.490 10 10 CDCEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CO)C1CCCC1 ZINC000929635839 726850764 /nfs/dbraw/zinc/85/07/64/726850764.db2.gz PYEVTTVNHVWLMK-CQSZACIVSA-N 0 3 265.353 1.490 10 10 CDCEHN COc1cccc(O)c1CN[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000850368410 727214234 /nfs/dbraw/zinc/21/42/34/727214234.db2.gz MKMXPYUCJOSNCV-MNOVXSKESA-N 0 3 299.392 1.456 10 10 CDCEHN C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(F)ccc1[O-] ZINC000866495522 727262232 /nfs/dbraw/zinc/26/22/32/727262232.db2.gz DHCJGKIELCFGBN-JTQLQIEISA-N 0 3 288.326 1.861 10 10 CDCEHN CN(CC(=O)NCc1c(O)cccc1F)C1CCC1 ZINC000928705321 727278981 /nfs/dbraw/zinc/27/89/81/727278981.db2.gz GKKJJYWBPCSURV-UHFFFAOYSA-N 0 3 266.316 1.632 10 10 CDCEHN COc1ccc(O)c(CN2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726804 728037443 /nfs/dbraw/zinc/03/74/43/728037443.db2.gz UWGLUWKYUSWJKX-ZDUSSCGKSA-N 0 3 273.279 1.603 10 10 CDCEHN COc1ccc(N2CCN([C@@H](C)[C@H](C)O)CC2)cc1F ZINC001168069622 906652990 /nfs/dbraw/zinc/65/29/90/906652990.db2.gz ZUGVEAPKRSOWLH-RYUDHWBXSA-N 0 3 282.359 1.726 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(F)ccc1[O-] ZINC000094618491 360230545 /nfs/dbraw/zinc/23/05/45/360230545.db2.gz DVPOALDFROMBEJ-PWSUYJOCSA-N 0 3 268.332 1.513 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C2(CO)CCOCC2)c1[O-] ZINC000271848687 365000387 /nfs/dbraw/zinc/00/03/87/365000387.db2.gz IHOHDGUDMJBPMY-UHFFFAOYSA-N 0 3 285.771 1.985 10 10 CDCEHN COC(=O)[C@]12C[N@H+](Cc3ccccc3[O-])C[C@H]1COCC2 ZINC000376015086 391209910 /nfs/dbraw/zinc/20/99/10/391209910.db2.gz PSUDHEWEYFKLLR-XJKSGUPXSA-N 0 3 291.347 1.404 10 10 CDCEHN COC(=O)[C@]12C[N@@H+](Cc3ccccc3[O-])C[C@H]1COCC2 ZINC000376015086 391209913 /nfs/dbraw/zinc/20/99/13/391209913.db2.gz PSUDHEWEYFKLLR-XJKSGUPXSA-N 0 3 291.347 1.404 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c([O-])c1 ZINC000091667523 260266597 /nfs/dbraw/zinc/26/65/97/260266597.db2.gz TXSLTRINXCPVEA-STQMWFEESA-N 0 3 264.369 1.682 10 10 CDCEHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000184936268 262034227 /nfs/dbraw/zinc/03/42/27/262034227.db2.gz AISHYYUDQJTLEW-NEPJUHHUSA-N 0 3 282.359 1.903 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000377837151 329031568 /nfs/dbraw/zinc/03/15/68/329031568.db2.gz JODOQFIUUAXIGV-KCPJHIHWSA-N 0 3 286.375 1.720 10 10 CDCEHN COC(CNCc1ccc2c(c1)CCN2C)OC ZINC000050286671 522536909 /nfs/dbraw/zinc/53/69/09/522536909.db2.gz WQYDNHAKULSJFK-UHFFFAOYSA-N 0 3 250.342 1.387 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[O-] ZINC000278989148 524870150 /nfs/dbraw/zinc/87/01/50/524870150.db2.gz ALIGPEIVOPXQDD-HZMBPMFUSA-N 0 3 285.771 1.984 10 10 CDCEHN COc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000089151186 526023783 /nfs/dbraw/zinc/02/37/83/526023783.db2.gz HRJQQMMOROSVQG-PWSUYJOCSA-N 0 3 251.326 1.651 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721599 619814301 /nfs/dbraw/zinc/81/43/01/619814301.db2.gz DBWHHAGVQIEAFF-AWEZNQCLSA-N 0 3 277.364 1.756 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721599 619814302 /nfs/dbraw/zinc/81/43/02/619814302.db2.gz DBWHHAGVQIEAFF-AWEZNQCLSA-N 0 3 277.364 1.756 10 10 CDCEHN C[C@@H]1C[NH2+]C[C@H]1NCc1cc(Br)ccc1[O-] ZINC000903960470 626160331 /nfs/dbraw/zinc/16/03/31/626160331.db2.gz LUYKDOJHJILMKV-LDYMZIIASA-N 0 3 285.185 1.852 10 10 CDCEHN COC(OC)[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000079608556 728756356 /nfs/dbraw/zinc/75/63/56/728756356.db2.gz WHXKALVEWOYWNL-LLVKDONJSA-N 0 3 252.358 1.850 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972232 728847042 /nfs/dbraw/zinc/84/70/42/728847042.db2.gz VHKSWVBTSYDCRQ-NRUUGDAUSA-N 0 3 279.340 1.949 10 10 CDCEHN CN(C)c1ccc(CN(C)C(=O)C(N)C(F)(F)F)cc1 ZINC000705521515 729160237 /nfs/dbraw/zinc/16/02/37/729160237.db2.gz LNKWCGNDXRQDKU-NSHDSACASA-N 0 3 289.301 1.601 10 10 CDCEHN CN1CCOC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000700214447 728488122 /nfs/dbraw/zinc/48/81/22/728488122.db2.gz ZKZAUVSFIDPVRH-STQMWFEESA-N 0 3 262.353 1.300 10 10 CDCEHN CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000702513171 728515735 /nfs/dbraw/zinc/51/57/35/728515735.db2.gz FBSRWWLCTMLVKH-RISCZKNCSA-N 0 3 253.342 1.749 10 10 CDCEHN C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000714247105 729252616 /nfs/dbraw/zinc/25/26/16/729252616.db2.gz IBJSXSJPUAKJLC-GMTAPVOTSA-N 0 3 269.366 1.618 10 10 CDCEHN COCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000787335455 729402613 /nfs/dbraw/zinc/40/26/13/729402613.db2.gz RDNSTFHQJKDFAV-CYBMUJFWSA-N 0 3 269.316 1.769 10 10 CDCEHN COCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000787335455 729402614 /nfs/dbraw/zinc/40/26/14/729402614.db2.gz RDNSTFHQJKDFAV-CYBMUJFWSA-N 0 3 269.316 1.769 10 10 CDCEHN Cc1cc([O-])c(CN2CCOC3(C[NH2+]C3)C2)c(Cl)c1 ZINC000853249256 729544746 /nfs/dbraw/zinc/54/47/46/729544746.db2.gz OJMJYGSKWQWBAK-UHFFFAOYSA-N 0 3 282.771 1.528 10 10 CDCEHN C[C@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000931555594 729625911 /nfs/dbraw/zinc/62/59/11/729625911.db2.gz YXZHSYVETJVQHU-LBPRGKRZSA-N 0 3 292.379 1.680 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@@]2(CO)CCOC2)cc1 ZINC000835048692 729812433 /nfs/dbraw/zinc/81/24/33/729812433.db2.gz XSKMKWWRQYGGBL-MJSXRHKHSA-N 0 3 276.380 1.507 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccccc1[O-] ZINC000866413601 729884660 /nfs/dbraw/zinc/88/46/60/729884660.db2.gz JAXSREBFCLLGRC-STQMWFEESA-N 0 3 278.396 1.888 10 10 CDCEHN Cc1ccc(O)c(CNCC(=O)NCc2ccco2)c1 ZINC000113319063 729978103 /nfs/dbraw/zinc/97/81/03/729978103.db2.gz IXCSOHUUZMLYMM-UHFFFAOYSA-N 0 3 274.320 1.700 10 10 CDCEHN O=C(NCc1c([O-])cccc1F)C12CC[NH+](CC1)C2 ZINC000928711355 729979407 /nfs/dbraw/zinc/97/94/07/729979407.db2.gz NQBQQKQQFYALMV-UHFFFAOYSA-N 0 3 264.300 1.243 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000246951805 729998507 /nfs/dbraw/zinc/99/85/07/729998507.db2.gz UPJLPXRRYDMTNH-HUUCEWRRSA-N 0 3 295.379 1.381 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000246951805 729998511 /nfs/dbraw/zinc/99/85/11/729998511.db2.gz UPJLPXRRYDMTNH-HUUCEWRRSA-N 0 3 295.379 1.381 10 10 CDCEHN CO[C@]1(CO)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000826952649 730029845 /nfs/dbraw/zinc/02/98/45/730029845.db2.gz OKLXBZJAYSRFSV-CQSZACIVSA-N 0 3 251.326 1.366 10 10 CDCEHN CO[C@]1(CO)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000826952649 730029848 /nfs/dbraw/zinc/02/98/48/730029848.db2.gz OKLXBZJAYSRFSV-CQSZACIVSA-N 0 3 251.326 1.366 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]CCCn2ccnn2)c1[O-] ZINC000228677879 730397457 /nfs/dbraw/zinc/39/74/57/730397457.db2.gz WFCYCZYXHKHHKF-UHFFFAOYSA-N 0 3 296.758 1.826 10 10 CDCEHN CCN(C)c1ccc(CN2CC[C@@H](NC(=O)NC)C2)cc1 ZINC001645227449 1167378747 /nfs/dbraw/zinc/37/87/47/1167378747.db2.gz CLDOPNFCTWWEDG-CQSZACIVSA-N 0 3 290.411 1.646 10 10 CDCEHN COC(=O)N[C@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000228354099 911887669 /nfs/dbraw/zinc/88/76/69/911887669.db2.gz XCGKBKFYQXQANZ-NSHDSACASA-N 0 3 280.324 1.331 10 10 CDCEHN CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)N(C)C ZINC001558175508 965245167 /nfs/dbraw/zinc/24/51/67/965245167.db2.gz TVUQGHKBPRYACZ-ZDUSSCGKSA-N 0 3 266.341 1.300 10 10 CDCEHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCO1 ZINC000042879606 358983970 /nfs/dbraw/zinc/98/39/70/358983970.db2.gz JNJKVWLTIOCURF-JOYOIKCWSA-N 0 3 265.309 1.778 10 10 CDCEHN COC[C@@](C)(CCO)NCc1ccc(N(C)C)c(F)c1 ZINC000267336128 363799202 /nfs/dbraw/zinc/79/92/02/363799202.db2.gz IUHKKQMHRIGCQH-OAHLLOKOSA-N 0 3 284.375 1.769 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000282786899 368038000 /nfs/dbraw/zinc/03/80/00/368038000.db2.gz QTDDBICMXZAETM-SECBINFHSA-N 0 3 288.750 1.918 10 10 CDCEHN Oc1ccccc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000289635443 285398535 /nfs/dbraw/zinc/39/85/35/285398535.db2.gz XEXZGROWZLIDGW-HNNXBMFYSA-N 0 3 263.337 1.774 10 10 CDCEHN CCN(CC)c1ccc(CNC[C@@H]2CN(C)CCO2)cc1 ZINC000105472066 391065491 /nfs/dbraw/zinc/06/54/91/391065491.db2.gz LQNRHAMZSKOIIS-QGZVFWFLSA-N 0 3 291.439 1.953 10 10 CDCEHN CCOc1cccc(C[NH2+][C@@](C)(CCO)COC)c1[O-] ZINC000175855783 391142082 /nfs/dbraw/zinc/14/20/82/391142082.db2.gz ZCCUXKMSGUVATG-HNNXBMFYSA-N 0 3 283.368 1.668 10 10 CDCEHN C[C@H](NCCCS(C)(=O)=O)c1cc(O)ccc1O ZINC000038047131 174056868 /nfs/dbraw/zinc/05/68/68/174056868.db2.gz AHPSNZAPKLMIOB-VIFPVBQESA-N 0 3 273.354 1.183 10 10 CDCEHN CCOc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000077900464 260167307 /nfs/dbraw/zinc/16/73/07/260167307.db2.gz GWXNMYTZFJUJPJ-LBPRGKRZSA-N 0 3 278.352 1.501 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c([O-])c1 ZINC000091667522 260266305 /nfs/dbraw/zinc/26/63/05/260266305.db2.gz TXSLTRINXCPVEA-OLZOCXBDSA-N 0 3 264.369 1.682 10 10 CDCEHN CCOC(=O)Cc1cc(N2CCN(C)CC2)ccc1N ZINC000144826983 535748720 /nfs/dbraw/zinc/74/87/20/535748720.db2.gz XFZYQXYDWISICI-UHFFFAOYSA-N 0 3 277.368 1.126 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c([O-])c1 ZINC000768441370 576283664 /nfs/dbraw/zinc/28/36/64/576283664.db2.gz GIDOHKIQXMNEDM-WCQYABFASA-N 0 3 292.379 1.877 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c([O-])c1 ZINC000768441370 576283665 /nfs/dbraw/zinc/28/36/65/576283665.db2.gz GIDOHKIQXMNEDM-WCQYABFASA-N 0 3 292.379 1.877 10 10 CDCEHN COc1cc(C)cc(CN2CCC(NC(C)=O)CC2)c1O ZINC000754719368 576912178 /nfs/dbraw/zinc/91/21/78/576912178.db2.gz AZRVFYPCINIPCD-UHFFFAOYSA-N 0 3 292.379 1.810 10 10 CDCEHN C[C@@H]1C[C@@H](N[C@@H]2CNOC2)c2c1c(F)ccc2O ZINC000925862874 617904832 /nfs/dbraw/zinc/90/48/32/617904832.db2.gz ZEFBLQYKTCBNAU-NQMVMOMDSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925862874 617904845 /nfs/dbraw/zinc/90/48/45/617904845.db2.gz ZEFBLQYKTCBNAU-NQMVMOMDSA-N 0 3 252.289 1.573 10 10 CDCEHN COCC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000052808346 1159451972 /nfs/dbraw/zinc/45/19/72/1159451972.db2.gz SMUVJDSLLNFZEG-CQSZACIVSA-N 0 3 279.384 1.075 10 10 CDCEHN Cc1[nH]cnc1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001624955148 1165876240 /nfs/dbraw/zinc/87/62/40/1165876240.db2.gz SMLVGMFILHVGBT-VIFPVBQESA-N 0 3 289.335 1.419 10 10 CDCEHN CN(C(=O)c1cccc(O)c1O)[C@@H]1CN2CCC1CC2 ZINC000312617389 1186701404 /nfs/dbraw/zinc/70/14/04/1186701404.db2.gz GKITZXBQSXLEEG-GFCCVEGCSA-N 0 3 276.336 1.264 10 10 CDCEHN CN(C)c1ccc(CN[C@H]2CNCCC2(F)F)cc1F ZINC000841075823 730662333 /nfs/dbraw/zinc/66/23/33/730662333.db2.gz XXLMDDVZJHYBIJ-ZDUSSCGKSA-N 0 3 287.329 1.979 10 10 CDCEHN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCN(C)C1 ZINC000855359711 730852892 /nfs/dbraw/zinc/85/28/92/730852892.db2.gz AOMRZCMMYXPVRC-LLVKDONJSA-N 0 3 278.352 1.572 10 10 CDCEHN CCOc1ccc(O)c(CN2CCN(CCO)[C@@H](C)C2)c1 ZINC000250103205 730942199 /nfs/dbraw/zinc/94/21/99/730942199.db2.gz RSMWDQMJGCQEOZ-ZDUSSCGKSA-N 0 3 294.395 1.289 10 10 CDCEHN CN1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000723600667 731083031 /nfs/dbraw/zinc/08/30/31/731083031.db2.gz JZMCXYYDPXTRGV-ZYHUDNBSSA-N 0 3 260.337 1.447 10 10 CDCEHN COC(=O)[C@@]1(OC)CCN(Cc2cccc(OC)c2O)C1 ZINC000862473855 731767317 /nfs/dbraw/zinc/76/73/17/731767317.db2.gz HBSHKRMRVVISOV-OAHLLOKOSA-N 0 3 295.335 1.165 10 10 CDCEHN C[NH+](C)CCn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000776342586 731819130 /nfs/dbraw/zinc/81/91/30/731819130.db2.gz FTBXAYOCNZHVEL-UHFFFAOYSA-N 0 3 290.323 1.108 10 10 CDCEHN C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000858494826 731890974 /nfs/dbraw/zinc/89/09/74/731890974.db2.gz ONBLXHMTYRUYBT-KBIXCLLPSA-N 0 3 278.327 1.933 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000825231795 732404212 /nfs/dbraw/zinc/40/42/12/732404212.db2.gz ISTHSAPGDDNDLK-CMPLNLGQSA-N 0 3 251.326 1.651 10 10 CDCEHN CN(C)c1ccc(/C=C\CN(CCO)CCO)cc1 ZINC000862429997 732487350 /nfs/dbraw/zinc/48/73/50/732487350.db2.gz NIALTTCHULPYGC-ARJAWSKDSA-N 0 3 264.369 1.052 10 10 CDCEHN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CN2CCC1CC2 ZINC000312314812 732664485 /nfs/dbraw/zinc/66/44/85/732664485.db2.gz FQYKDQBQHTYGMI-HNNXBMFYSA-N 0 3 273.380 1.364 10 10 CDCEHN CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1ccccc1[O-] ZINC000702536029 732727482 /nfs/dbraw/zinc/72/74/82/732727482.db2.gz FPAFVWMYAUPKFB-TZMCWYRMSA-N 0 3 253.342 1.830 10 10 CDCEHN COc1ccc(O)c(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000827169780 732797225 /nfs/dbraw/zinc/79/72/25/732797225.db2.gz FWSRQRMJOPTHQY-CMPLNLGQSA-N 0 3 299.392 1.456 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000850344737 733032731 /nfs/dbraw/zinc/03/27/31/733032731.db2.gz UIVRFYQVIHHSRW-XJKSGUPXSA-N 0 3 295.379 1.932 10 10 CDCEHN CCOc1ccc(O)c(CNC[C@H](O)C(F)(F)F)c1 ZINC000788975094 733090478 /nfs/dbraw/zinc/09/04/78/733090478.db2.gz DBCFEHWRVWYVFC-NSHDSACASA-N 0 3 279.258 1.804 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000842759450 733151223 /nfs/dbraw/zinc/15/12/23/733151223.db2.gz WRGGCMJBIQOUFS-MRXNPFEDSA-N 0 3 295.379 1.668 10 10 CDCEHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1c(O)cccc1O ZINC001645363401 1167397833 /nfs/dbraw/zinc/39/78/33/1167397833.db2.gz UBXKNVQXLIJZHV-PHIMTYICSA-N 0 3 278.352 1.587 10 10 CDCEHN O=S1(=O)CCC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000694785548 898689478 /nfs/dbraw/zinc/68/94/78/898689478.db2.gz JLRXLRCFSGWEKV-GFCCVEGCSA-N 0 3 269.366 1.449 10 10 CDCEHN Cc1cc(Br)cc(C[NH2+][C@H]2CCNC2=O)c1[O-] ZINC000826768810 936439944 /nfs/dbraw/zinc/43/99/44/936439944.db2.gz FPCCZTPTUYOUBF-JTQLQIEISA-N 0 3 299.168 1.441 10 10 CDCEHN CN(C)c1cc(F)c(CNC[C@@H]2COCCN2C)cc1F ZINC000858278462 928830348 /nfs/dbraw/zinc/83/03/48/928830348.db2.gz ZWDUDQHBGBIJRR-GFCCVEGCSA-N 0 3 299.365 1.451 10 10 CDCEHN CC(C)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 ZINC001301115257 955930183 /nfs/dbraw/zinc/93/01/83/955930183.db2.gz FKFSLBYUFAAXEZ-LBPRGKRZSA-N 0 3 278.352 1.097 10 10 CDCEHN C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccccc1[O-] ZINC001460641953 969527578 /nfs/dbraw/zinc/52/75/78/969527578.db2.gz ZBVLSVFNVHDTAS-LLVKDONJSA-N 0 3 271.320 1.498 10 10 CDCEHN COc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000093479827 360297916 /nfs/dbraw/zinc/29/79/16/360297916.db2.gz GFIZEXASZDKDMI-ODOQXGPZSA-N 0 3 277.364 1.994 10 10 CDCEHN COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000093479827 360297920 /nfs/dbraw/zinc/29/79/20/360297920.db2.gz GFIZEXASZDKDMI-ODOQXGPZSA-N 0 3 277.364 1.994 10 10 CDCEHN NCC[C@H]([NH3+])c1ccc(Br)c(F)c1[O-] ZINC000306654895 364350015 /nfs/dbraw/zinc/35/00/15/364350015.db2.gz KBJCTVDOMDYUMR-ZETCQYMHSA-N 0 3 263.110 1.642 10 10 CDCEHN CCOc1cccc(CN2C[C@@H](O)C3(CC3)C2)c1O ZINC000364447498 262241261 /nfs/dbraw/zinc/24/12/61/262241261.db2.gz MABWWZHXAONKKF-CYBMUJFWSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000364447498 262241262 /nfs/dbraw/zinc/24/12/62/262241262.db2.gz MABWWZHXAONKKF-CYBMUJFWSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1cccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000364447498 262241264 /nfs/dbraw/zinc/24/12/64/262241264.db2.gz MABWWZHXAONKKF-CYBMUJFWSA-N 0 3 263.337 1.748 10 10 CDCEHN CCN(Cc1ccc(N)cc1)[C@H]1CCCCNC1=O ZINC000035361393 172152193 /nfs/dbraw/zinc/15/21/93/172152193.db2.gz YMBCAKQPVQIOII-AWEZNQCLSA-N 0 3 261.369 1.759 10 10 CDCEHN COC(=O)CCC[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000037416986 173194141 /nfs/dbraw/zinc/19/41/41/173194141.db2.gz ZAXLVNSRPWKUJI-VIFPVBQESA-N 0 3 253.298 1.702 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCOC2)c1[O-] ZINC000184193759 262011979 /nfs/dbraw/zinc/01/19/79/262011979.db2.gz GXXIXXRWSSHXSI-CYBMUJFWSA-N 0 3 271.744 1.595 10 10 CDCEHN CC(C)[C@H](CN(C)C)[NH2+]Cc1cccc(O)c1[O-] ZINC000049199592 519814599 /nfs/dbraw/zinc/81/45/99/519814599.db2.gz BHIXTIIGKYEUNM-LBPRGKRZSA-N 0 3 252.358 1.774 10 10 CDCEHN O=C1NC[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC000156063713 527077515 /nfs/dbraw/zinc/07/75/15/527077515.db2.gz VXHULNCYWKVNKX-ZDUSSCGKSA-N 0 3 297.358 1.755 10 10 CDCEHN O=C1NC[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC000156063713 527077518 /nfs/dbraw/zinc/07/75/18/527077518.db2.gz VXHULNCYWKVNKX-ZDUSSCGKSA-N 0 3 297.358 1.755 10 10 CDCEHN COc1cc([O-])c(C[NH2+]CC[C@H]2CCOC2)cc1OC ZINC000753588988 577178775 /nfs/dbraw/zinc/17/87/75/577178775.db2.gz HAXBNNBVOCNYRP-NSHDSACASA-N 0 3 281.352 1.926 10 10 CDCEHN C[C@H]1[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000902925534 625639833 /nfs/dbraw/zinc/63/98/33/625639833.db2.gz MHYVQVVXZMFROH-SWLSCSKDSA-N 0 3 290.411 1.644 10 10 CDCEHN C[C@@]1(NC(=O)c2cccc(O)c2O)CN2CCC1CC2 ZINC000912378041 629950979 /nfs/dbraw/zinc/95/09/79/629950979.db2.gz PGPFMNOUSYGDSF-OAHLLOKOSA-N 0 3 276.336 1.312 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000834673934 735501757 /nfs/dbraw/zinc/50/17/57/735501757.db2.gz XSIYTXWKDZEOLR-ZZVYKPCYSA-N 0 3 286.375 1.978 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000126672012 733486309 /nfs/dbraw/zinc/48/63/09/733486309.db2.gz DSUQBEHRYGUBRU-WDEREUQCSA-N 0 3 269.366 1.620 10 10 CDCEHN CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccccc1[O-] ZINC000700209892 733769330 /nfs/dbraw/zinc/76/93/30/733769330.db2.gz MHMIJKHOTRADDN-GXTWGEPZSA-N 0 3 264.369 1.764 10 10 CDCEHN COc1cc(Cl)cc(CNCc2c[nH]nn2)c1O ZINC000398329418 733886399 /nfs/dbraw/zinc/88/63/99/733886399.db2.gz DWHWLUFPCUQXST-UHFFFAOYSA-N 0 3 268.704 1.462 10 10 CDCEHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])CS(C)(=O)=O ZINC000723879465 733973813 /nfs/dbraw/zinc/97/38/13/733973813.db2.gz OSEVYJRPXWCSFP-UHFFFAOYSA-N 0 3 289.372 1.692 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CCc1cncc(C)n1 ZINC000850390625 734126945 /nfs/dbraw/zinc/12/69/45/734126945.db2.gz LLNYBBYMXVDPKI-UHFFFAOYSA-N 0 3 273.336 1.832 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)NC)C2)c([O-])c1 ZINC000817413945 734253600 /nfs/dbraw/zinc/25/36/00/734253600.db2.gz ALHMAXQMMXKFJR-LBPRGKRZSA-N 0 3 278.352 1.359 10 10 CDCEHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)NC)C2)c([O-])c1 ZINC000817413945 734253602 /nfs/dbraw/zinc/25/36/02/734253602.db2.gz ALHMAXQMMXKFJR-LBPRGKRZSA-N 0 3 278.352 1.359 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H](O)C1(O)CCCC1)c1ccccc1[O-] ZINC000931554046 734871575 /nfs/dbraw/zinc/87/15/75/734871575.db2.gz KKXPJOZGBRWQFR-BXUZGUMPSA-N 0 3 265.353 1.709 10 10 CDCEHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC000847696038 735018531 /nfs/dbraw/zinc/01/85/31/735018531.db2.gz KLNLYJFELFPNLV-NEPJUHHUSA-N 0 3 292.379 1.487 10 10 CDCEHN C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccccc1[O-] ZINC000842901252 735269672 /nfs/dbraw/zinc/26/96/72/735269672.db2.gz JOMDJRXATZICSG-NSHDSACASA-N 0 3 260.341 1.804 10 10 CDCEHN C[C@@H](NCc1c[nH]nn1)c1ccc(N2CCOCC2)cc1 ZINC001168800866 927455730 /nfs/dbraw/zinc/45/57/30/927455730.db2.gz HNOYBIHHOSPXOL-GFCCVEGCSA-N 0 3 287.367 1.492 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCCC1 ZINC000929977893 933292984 /nfs/dbraw/zinc/29/29/84/933292984.db2.gz YDDAFFUBFYMNMK-CQSZACIVSA-N 0 3 265.353 1.490 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCCC1 ZINC000929977893 933292992 /nfs/dbraw/zinc/29/29/92/933292992.db2.gz YDDAFFUBFYMNMK-CQSZACIVSA-N 0 3 265.353 1.490 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]CCOCCCO)CC2 ZINC001324551305 953436524 /nfs/dbraw/zinc/43/65/24/953436524.db2.gz OQJRUFIIKHFVGL-LBPRGKRZSA-N 0 3 251.326 1.368 10 10 CDCEHN Cc1[nH]cnc1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001540494350 967142307 /nfs/dbraw/zinc/14/23/07/967142307.db2.gz MIUTYFCJESWRQS-UHFFFAOYSA-N 0 3 272.352 1.643 10 10 CDCEHN [NH3+]C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000236170284 342168503 /nfs/dbraw/zinc/16/85/03/342168503.db2.gz MLJJUZIDIFUFKU-UHFFFAOYSA-N 0 3 257.131 1.298 10 10 CDCEHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185725604 357570094 /nfs/dbraw/zinc/57/00/94/357570094.db2.gz JNNZWEVOOMIDHN-DGCLKSJQSA-N 0 3 292.379 1.900 10 10 CDCEHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(O)c2[O-])[C@H](C)C1 ZINC000185725604 357570097 /nfs/dbraw/zinc/57/00/97/357570097.db2.gz JNNZWEVOOMIDHN-DGCLKSJQSA-N 0 3 292.379 1.900 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)CC1(CO)CC1 ZINC000188956978 357957204 /nfs/dbraw/zinc/95/72/04/357957204.db2.gz ZCOLCLBHGZVEAE-UHFFFAOYSA-N 0 3 265.309 1.325 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC1(CO)CC1 ZINC000188956978 357957205 /nfs/dbraw/zinc/95/72/05/357957205.db2.gz ZCOLCLBHGZVEAE-UHFFFAOYSA-N 0 3 265.309 1.325 10 10 CDCEHN COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1[O-] ZINC000282500557 364127253 /nfs/dbraw/zinc/12/72/53/364127253.db2.gz WPNFMINNEVSAPY-MWLCHTKSSA-N 0 3 264.325 1.158 10 10 CDCEHN Cc1ccc2c(c1)N(C(=O)c1cn[n-]c1[C@H]1CC[NH2+]C1)CC2 ZINC000662424425 413000973 /nfs/dbraw/zinc/00/09/73/413000973.db2.gz RQXKGSJUXSUTBW-ZDUSSCGKSA-N 0 3 296.374 1.998 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(O)ccc1[O-] ZINC000038082776 174092083 /nfs/dbraw/zinc/09/20/83/174092083.db2.gz FESOCGCQJHRXNQ-NXEZZACHSA-N 0 3 285.365 1.183 10 10 CDCEHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000126480445 260353152 /nfs/dbraw/zinc/35/31/52/260353152.db2.gz KRKFVWAVPJLNSY-GHMZBOCLSA-N 0 3 276.336 1.407 10 10 CDCEHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000126480445 260353154 /nfs/dbraw/zinc/35/31/54/260353154.db2.gz KRKFVWAVPJLNSY-GHMZBOCLSA-N 0 3 276.336 1.407 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1CC(O)C3)OCO2 ZINC000158530407 261166009 /nfs/dbraw/zinc/16/60/09/261166009.db2.gz UQVDZJNRMBCJPE-FOSCPWQOSA-N 0 3 277.320 1.609 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1CC(O)C3)OCO2 ZINC000158530407 261166010 /nfs/dbraw/zinc/16/60/10/261166010.db2.gz UQVDZJNRMBCJPE-FOSCPWQOSA-N 0 3 277.320 1.609 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000377837152 329031416 /nfs/dbraw/zinc/03/14/16/329031416.db2.gz JODOQFIUUAXIGV-UGFHNGPFSA-N 0 3 286.375 1.720 10 10 CDCEHN COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000279664068 522303247 /nfs/dbraw/zinc/30/32/47/522303247.db2.gz GSJZHVBTBNNFFU-LLVKDONJSA-N 0 3 259.733 1.451 10 10 CDCEHN CC(C)C[C@@H](CO)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000290318851 519217760 /nfs/dbraw/zinc/21/77/60/519217760.db2.gz CUNYTPHAPOERTO-LBPRGKRZSA-N 0 3 281.352 1.960 10 10 CDCEHN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000290318851 519217767 /nfs/dbraw/zinc/21/77/67/519217767.db2.gz CUNYTPHAPOERTO-LBPRGKRZSA-N 0 3 281.352 1.960 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@@H]2CCOC[C@H]2C)cc1OC ZINC000277340112 522781799 /nfs/dbraw/zinc/78/17/99/522781799.db2.gz DDNNOYJMIHGMPJ-ZYHUDNBSSA-N 0 3 281.352 1.924 10 10 CDCEHN O=C1CC2(CCC2)[N@H+](Cc2cc(F)ccc2[O-])CCN1 ZINC000895927647 619906545 /nfs/dbraw/zinc/90/65/45/619906545.db2.gz TZGBQYTWYBMEKT-UHFFFAOYSA-N 0 3 278.327 1.776 10 10 CDCEHN O=C1CC2(CCC2)[N@@H+](Cc2cc(F)ccc2[O-])CCN1 ZINC000895927647 619906547 /nfs/dbraw/zinc/90/65/47/619906547.db2.gz TZGBQYTWYBMEKT-UHFFFAOYSA-N 0 3 278.327 1.776 10 10 CDCEHN COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000918745966 632436969 /nfs/dbraw/zinc/43/69/69/632436969.db2.gz UWTDDGWSCKMOFY-GXFFZTMASA-N 0 3 293.367 1.293 10 10 CDCEHN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C)C1 ZINC000919657638 632648534 /nfs/dbraw/zinc/64/85/34/632648534.db2.gz UKADONLAGBFGPH-ZDUSSCGKSA-N 0 3 277.368 1.628 10 10 CDCEHN COc1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)c([O-])c1 ZINC000392774561 1187282703 /nfs/dbraw/zinc/28/27/03/1187282703.db2.gz YGOSBTKQEWEXPV-UHFFFAOYSA-N 0 3 260.293 1.791 10 10 CDCEHN COc1ccc(N(C)C[C@H]2CNCCO2)c(OC)c1 ZINC000258912193 737649881 /nfs/dbraw/zinc/64/98/81/737649881.db2.gz MHHWHOXWNGQBJO-GFCCVEGCSA-N 0 3 266.341 1.128 10 10 CDCEHN CCNC(=O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000777444785 737832181 /nfs/dbraw/zinc/83/21/81/737832181.db2.gz YBSAJOJNRLTHLF-UHFFFAOYSA-N 0 3 256.733 1.580 10 10 CDCEHN COc1cccc(O)c1CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501589 736380406 /nfs/dbraw/zinc/38/04/06/736380406.db2.gz PPOVUYHYVMGJKE-BBRMVZONSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc([O-])c1C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501589 736380410 /nfs/dbraw/zinc/38/04/10/736380410.db2.gz PPOVUYHYVMGJKE-BBRMVZONSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501589 736380414 /nfs/dbraw/zinc/38/04/14/736380414.db2.gz PPOVUYHYVMGJKE-BBRMVZONSA-N 0 3 292.379 1.306 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c([O-])c1 ZINC000824726414 736563771 /nfs/dbraw/zinc/56/37/71/736563771.db2.gz LXWSBTXKWHRBBJ-CQSZACIVSA-N 0 3 287.306 1.993 10 10 CDCEHN CCOc1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c([O-])c1 ZINC000824726414 736563777 /nfs/dbraw/zinc/56/37/77/736563777.db2.gz LXWSBTXKWHRBBJ-CQSZACIVSA-N 0 3 287.306 1.993 10 10 CDCEHN CCOc1ccc(CN2CC[C@](O)(C(F)F)C2)c(O)c1 ZINC000824726414 736563779 /nfs/dbraw/zinc/56/37/79/736563779.db2.gz LXWSBTXKWHRBBJ-CQSZACIVSA-N 0 3 287.306 1.993 10 10 CDCEHN C[C@@H]1CN(CCO)CCN1Cc1ccc(N(C)C)cc1 ZINC000825338104 738977687 /nfs/dbraw/zinc/97/76/87/738977687.db2.gz LTWZCRSBGCCWNE-CQSZACIVSA-N 0 3 277.412 1.251 10 10 CDCEHN O=[S@@](CC[NH2+]Cc1ccccc1[O-])CC(F)(F)F ZINC000850347963 739071117 /nfs/dbraw/zinc/07/11/17/739071117.db2.gz BUKZIYOZJJJRCH-SFHVURJKSA-N 0 3 281.299 1.793 10 10 CDCEHN CNC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001620579217 1165658855 /nfs/dbraw/zinc/65/88/55/1165658855.db2.gz KLFQETXMGOBSLV-CQSZACIVSA-N 0 3 290.411 1.646 10 10 CDCEHN CN(C)c1ccc(/C=C\CN(C)[C@]2(CO)CCOC2)cc1 ZINC000862428235 929415042 /nfs/dbraw/zinc/41/50/42/929415042.db2.gz OFFWJNBXTLJXCU-CHYADLBTSA-N 0 3 290.407 1.849 10 10 CDCEHN CC[C@H]([NH2+]CCOCCCO)c1ccccc1[O-] ZINC001117139112 937498502 /nfs/dbraw/zinc/49/85/02/937498502.db2.gz DTCNOKWIIAVWNM-ZDUSSCGKSA-N 0 3 253.342 1.832 10 10 CDCEHN C[C@H](CNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275045492 931641056 /nfs/dbraw/zinc/64/10/56/931641056.db2.gz JCFMAMYIVKKJAR-SECBINFHSA-N 0 3 295.318 1.526 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC(=O)OCC ZINC001118873874 937674279 /nfs/dbraw/zinc/67/42/79/937674279.db2.gz NQUAIWKVEJPXMD-CQSZACIVSA-N 0 3 295.379 1.918 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC(=O)OCC ZINC001118873874 937674280 /nfs/dbraw/zinc/67/42/80/937674280.db2.gz NQUAIWKVEJPXMD-CQSZACIVSA-N 0 3 295.379 1.918 10 10 CDCEHN CN(C)c1ccc(CNCC2(C)OCCCO2)cc1 ZINC000192250521 934606199 /nfs/dbraw/zinc/60/61/99/934606199.db2.gz APHHJIAGICXGFN-UHFFFAOYSA-N 0 3 264.369 1.995 10 10 CDCEHN Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)c([O-])c1O ZINC000272733408 365371229 /nfs/dbraw/zinc/37/12/29/365371229.db2.gz HGAAMMWDJXFEDB-NSHDSACASA-N 0 3 278.352 1.572 10 10 CDCEHN COc1ccc(Br)c([C@@H]([NH3+])CCO)c1[O-] ZINC000044233886 369894399 /nfs/dbraw/zinc/89/43/99/369894399.db2.gz BHKWRCCTVGKBLC-ZETCQYMHSA-N 0 3 276.130 1.546 10 10 CDCEHN COc1cccc(C[NH2+]CCn2cc(C)cn2)c1[O-] ZINC000105908454 391067332 /nfs/dbraw/zinc/06/73/32/391067332.db2.gz QZRSEXOMNYVTKD-UHFFFAOYSA-N 0 3 261.325 1.696 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000527955573 393005765 /nfs/dbraw/zinc/00/57/65/393005765.db2.gz MQXRSXYEDWVIBY-GLQYFDAESA-N 0 3 265.353 1.891 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1[O-] ZINC000038082702 174091647 /nfs/dbraw/zinc/09/16/47/174091647.db2.gz YRXVYXPSWPIRPI-NXEZZACHSA-N 0 3 285.365 1.183 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)ccc1[O-] ZINC000185994598 262074774 /nfs/dbraw/zinc/07/47/74/262074774.db2.gz CHVXJHBUOQHNLH-GXSJLCMTSA-N 0 3 276.315 1.788 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)ccc1[O-] ZINC000185994636 262075386 /nfs/dbraw/zinc/07/53/86/262075386.db2.gz CHVXJHBUOQHNLH-ONGXEEELSA-N 0 3 276.315 1.788 10 10 CDCEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000282459060 280040402 /nfs/dbraw/zinc/04/04/02/280040402.db2.gz SZMKBCWDAFCEHZ-MFKMUULPSA-N 0 3 260.337 1.378 10 10 CDCEHN NCc1ccc(N2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000062792925 527256472 /nfs/dbraw/zinc/25/64/72/527256472.db2.gz MTSCSKQPUVJNFH-UHFFFAOYSA-N 0 3 274.773 1.034 10 10 CDCEHN CCOCc1cc(CNC[C@@H](O)[C@H](C)O)ccc1OC ZINC000865742367 739846961 /nfs/dbraw/zinc/84/69/61/739846961.db2.gz YZBUMTWFQDFFFB-SMDDNHRTSA-N 0 3 283.368 1.063 10 10 CDCEHN C[C@H]1CN(Cc2cc(F)ccc2O)CCN1CCO ZINC000190251903 739869708 /nfs/dbraw/zinc/86/97/08/739869708.db2.gz ZJYGDYBMEXLNEG-NSHDSACASA-N 0 3 268.332 1.030 10 10 CDCEHN COc1cccc(CN(C)C[C@@H]2CN(C)CCO2)c1O ZINC000709422049 740888467 /nfs/dbraw/zinc/88/84/67/740888467.db2.gz KNSJIZJITVWIHQ-ZDUSSCGKSA-N 0 3 280.368 1.163 10 10 CDCEHN Nc1ccc(-n2cc([C@H](N)C3CCOCC3)nn2)cc1 ZINC000864620025 741804807 /nfs/dbraw/zinc/80/48/07/741804807.db2.gz LIZUVJBQKUXUNV-CQSZACIVSA-N 0 3 273.340 1.276 10 10 CDCEHN CN(C)c1ccc(/C=C/CN(C)[C@@]2(CO)CCOC2)cc1 ZINC000862428237 741846245 /nfs/dbraw/zinc/84/62/45/741846245.db2.gz OFFWJNBXTLJXCU-LAQIPUCWSA-N 0 3 290.407 1.849 10 10 CDCEHN C[C@H]1CCN(CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862025983 741867908 /nfs/dbraw/zinc/86/79/08/741867908.db2.gz DRXCMWFRUGPSPV-LBPRGKRZSA-N 0 3 299.374 1.898 10 10 CDCEHN COC[C@@](C)(CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835044813 741841595 /nfs/dbraw/zinc/84/15/95/741841595.db2.gz PHYKCZWEMWQLEZ-SQRWCISFSA-N 0 3 278.396 1.753 10 10 CDCEHN CN1CCOC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000700214437 740038084 /nfs/dbraw/zinc/03/80/84/740038084.db2.gz ZKZAUVSFIDPVRH-CHWSQXEVSA-N 0 3 262.353 1.300 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c([O-])c1 ZINC000090026591 740866746 /nfs/dbraw/zinc/86/67/46/740866746.db2.gz FZYACEFJGMJLIA-JQWIXIFHSA-N 0 3 276.336 1.499 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801524043 741087094 /nfs/dbraw/zinc/08/70/94/741087094.db2.gz YCCVKBWRLMPVNZ-LBPRGKRZSA-N 0 3 298.408 1.106 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801524043 741087103 /nfs/dbraw/zinc/08/71/03/741087103.db2.gz YCCVKBWRLMPVNZ-LBPRGKRZSA-N 0 3 298.408 1.106 10 10 CDCEHN CCN(C)c1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879608983 741834439 /nfs/dbraw/zinc/83/44/39/741834439.db2.gz IQFWGJIEMOPIAW-CABCVRRESA-N 0 3 264.369 1.070 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824654993 742664789 /nfs/dbraw/zinc/66/47/89/742664789.db2.gz SVCOQMYYPGTHIO-GLQYFDAESA-N 0 3 295.354 1.893 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824654993 742664811 /nfs/dbraw/zinc/66/48/11/742664811.db2.gz SVCOQMYYPGTHIO-GLQYFDAESA-N 0 3 295.354 1.893 10 10 CDCEHN O=S1(=O)CCC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000694785552 898690370 /nfs/dbraw/zinc/69/03/70/898690370.db2.gz JLRXLRCFSGWEKV-LBPRGKRZSA-N 0 3 269.366 1.449 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@]1(O)CCOC1)CC2 ZINC000404214925 940957758 /nfs/dbraw/zinc/95/77/58/940957758.db2.gz SPWHUKXSRFMXJH-SWLSCSKDSA-N 0 3 263.337 1.511 10 10 CDCEHN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CN2CCC1CC2 ZINC001464852927 969824930 /nfs/dbraw/zinc/82/49/30/969824930.db2.gz WZINSEATUUPAGM-CYBMUJFWSA-N 0 3 290.363 1.193 10 10 CDCEHN C[C@@H](CNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498202411 973738951 /nfs/dbraw/zinc/73/89/51/973738951.db2.gz JCFMAMYIVKKJAR-VIFPVBQESA-N 0 3 295.318 1.526 10 10 CDCEHN COC[C@](C)(CCO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000267346638 363800470 /nfs/dbraw/zinc/80/04/70/363800470.db2.gz LBJIKFDGQRPXOI-AWEZNQCLSA-N 0 3 253.342 1.578 10 10 CDCEHN Cc1cccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284996423 368568232 /nfs/dbraw/zinc/56/82/32/368568232.db2.gz JFTMNUODKYBRQO-UONOGXRCSA-N 0 3 281.396 1.948 10 10 CDCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccccc1[O-] ZINC000373586341 391123706 /nfs/dbraw/zinc/12/37/06/391123706.db2.gz SDPVNDFGXCSHBG-KGLIPLIRSA-N 0 3 293.363 1.935 10 10 CDCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccccc1[O-] ZINC000373586341 391123710 /nfs/dbraw/zinc/12/37/10/391123710.db2.gz SDPVNDFGXCSHBG-KGLIPLIRSA-N 0 3 293.363 1.935 10 10 CDCEHN Cc1cc(Br)c(C)c([C@@H]([NH3+])CO)c1[O-] ZINC000072199299 176340406 /nfs/dbraw/zinc/34/04/06/176340406.db2.gz ADWOLBMYBMDCFF-QMMMGPOBSA-N 0 3 260.131 1.764 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000185993635 262074925 /nfs/dbraw/zinc/07/49/25/262074925.db2.gz ZZHAYIYBGAKAQV-RYUDHWBXSA-N 0 3 272.352 1.958 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000727645643 574592811 /nfs/dbraw/zinc/59/28/11/574592811.db2.gz XIOZESTVCLANQS-UHFFFAOYSA-N 0 3 278.352 1.535 10 10 CDCEHN O=C1C[C@@H](CC[NH2+][C@H]2CCc3cccc([O-])c32)CN1 ZINC000926980341 621640518 /nfs/dbraw/zinc/64/05/18/621640518.db2.gz PGFIGQCLCUCTAD-PWSUYJOCSA-N 0 3 260.337 1.495 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2C[C@H]([NH3+])C(C)(C)C2)c1[O-] ZINC000903551667 626022924 /nfs/dbraw/zinc/02/29/24/626022924.db2.gz VGGVIRDFFIUINO-ZDUSSCGKSA-N 0 3 280.343 1.903 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)C1(O)CCC1)c1ccccc1[O-] ZINC000931554006 743118069 /nfs/dbraw/zinc/11/80/69/743118069.db2.gz JYSAPKUICDKRFE-GXFFZTMASA-N 0 3 251.326 1.319 10 10 CDCEHN COc1cc(O)c(CNC[C@H](O)C(F)(F)F)cc1OC ZINC000789599224 745594195 /nfs/dbraw/zinc/59/41/95/745594195.db2.gz HGEIZDYHLVGXEQ-NSHDSACASA-N 0 3 295.257 1.422 10 10 CDCEHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)CS(N)(=O)=O ZINC000866571202 746121121 /nfs/dbraw/zinc/12/11/21/746121121.db2.gz ANNLZWTWGGXYBH-NSHDSACASA-N 0 3 298.408 1.284 10 10 CDCEHN Cc1cccc(CNCC(=O)NCc2ccco2)c1O ZINC000775930275 746284256 /nfs/dbraw/zinc/28/42/56/746284256.db2.gz TXVDIAWTIPQLRB-UHFFFAOYSA-N 0 3 274.320 1.700 10 10 CDCEHN NC(=O)CC1CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000718517467 746857815 /nfs/dbraw/zinc/85/78/15/746857815.db2.gz WSUZVHJZFNZASO-UHFFFAOYSA-N 0 3 252.289 1.275 10 10 CDCEHN CCOc1ccc(C[NH2+][C@@H](CCOC)COC)c([O-])c1 ZINC000810173874 747801645 /nfs/dbraw/zinc/80/16/45/747801645.db2.gz KQEFGHGUMULLCX-ZDUSSCGKSA-N 0 3 283.368 1.932 10 10 CDCEHN CCON(CC)C(=O)CNCc1cccc(OC)c1O ZINC000858219479 747848970 /nfs/dbraw/zinc/84/89/70/747848970.db2.gz OMXBZNYZRDLWCG-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000702513169 747869242 /nfs/dbraw/zinc/86/92/42/747869242.db2.gz FBSRWWLCTMLVKH-FZMZJTMJSA-N 0 3 253.342 1.749 10 10 CDCEHN Oc1cc2c(cc1CNC1(CF)CCOCC1)OCO2 ZINC000824690778 747890082 /nfs/dbraw/zinc/89/00/82/747890082.db2.gz LPEQKZDATBIJBF-UHFFFAOYSA-N 0 3 283.299 1.729 10 10 CDCEHN CCOc1ccc(N2CCN([C@@H](C)[C@H](C)O)CC2)cc1 ZINC001168331525 909072288 /nfs/dbraw/zinc/07/22/88/909072288.db2.gz JQHXZNQNNWJGCX-KBPBESRZSA-N 0 3 278.396 1.977 10 10 CDCEHN Cc1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c([O-])c1 ZINC001119451010 937721548 /nfs/dbraw/zinc/72/15/48/937721548.db2.gz SOFILKAZOLPXLH-ZDUSSCGKSA-N 0 3 283.393 1.758 10 10 CDCEHN CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000796512655 935317188 /nfs/dbraw/zinc/31/71/88/935317188.db2.gz HLZFZAULMBMSPY-ZDUSSCGKSA-N 0 3 298.408 1.296 10 10 CDCEHN COc1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c([O-])c1 ZINC000083383245 178385606 /nfs/dbraw/zinc/38/56/06/178385606.db2.gz RWAUFZYTNXEYSZ-MNOVXSKESA-N 0 3 250.342 1.583 10 10 CDCEHN CC[C@H](O)CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000180163381 357248466 /nfs/dbraw/zinc/24/84/66/357248466.db2.gz MTYHFGIWIJOVGT-HNNXBMFYSA-N 0 3 278.396 1.589 10 10 CDCEHN CC[C@H](O)CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000123522039 360293817 /nfs/dbraw/zinc/29/38/17/360293817.db2.gz HBKPUABZGLLCRV-INIZCTEOSA-N 0 3 292.423 1.898 10 10 CDCEHN CCn1nc2c(cc1=O)C[N@@H+](Cc1ccccc1[O-])CC2 ZINC000374917892 370766563 /nfs/dbraw/zinc/76/65/63/370766563.db2.gz ZYJGLYDEZZSYMR-UHFFFAOYSA-N 0 3 285.347 1.527 10 10 CDCEHN CCn1nc2c(cc1=O)C[N@H+](Cc1ccccc1[O-])CC2 ZINC000374917892 370766567 /nfs/dbraw/zinc/76/65/67/370766567.db2.gz ZYJGLYDEZZSYMR-UHFFFAOYSA-N 0 3 285.347 1.527 10 10 CDCEHN CCN(CC)c1ccc(CN2CC[C@H](NC(N)=O)C2)cc1 ZINC000271400419 364981636 /nfs/dbraw/zinc/98/16/36/364981636.db2.gz VQLJHBIAVFIYSS-AWEZNQCLSA-N 0 3 290.411 1.775 10 10 CDCEHN COc1cc([O-])c(C[N@H+](C)CCCO)cc1OC ZINC000281656898 367669041 /nfs/dbraw/zinc/66/90/41/367669041.db2.gz CBIGCPXWSCGVRZ-UHFFFAOYSA-N 0 3 255.314 1.224 10 10 CDCEHN COc1cc([O-])c(C[N@@H+](C)CCCO)cc1OC ZINC000281656898 367669043 /nfs/dbraw/zinc/66/90/43/367669043.db2.gz CBIGCPXWSCGVRZ-UHFFFAOYSA-N 0 3 255.314 1.224 10 10 CDCEHN COc1cc(O)c(CN(C)CCCO)cc1OC ZINC000281656898 367669045 /nfs/dbraw/zinc/66/90/45/367669045.db2.gz CBIGCPXWSCGVRZ-UHFFFAOYSA-N 0 3 255.314 1.224 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NC[C@H](O)C(F)(F)F)c1 ZINC000119994976 391320601 /nfs/dbraw/zinc/32/06/01/391320601.db2.gz XEXQSQXCMUTAMP-HQJQHLMTSA-N 0 3 279.258 1.975 10 10 CDCEHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000362235925 391716372 /nfs/dbraw/zinc/71/63/72/391716372.db2.gz LNPNNQRBULQQGP-MRVWCRGKSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000362235925 391716373 /nfs/dbraw/zinc/71/63/73/391716373.db2.gz LNPNNQRBULQQGP-MRVWCRGKSA-N 0 3 274.364 1.800 10 10 CDCEHN [O-]c1ccc2ccccc2c1C[NH2+]CCOCCO ZINC000020198610 171062750 /nfs/dbraw/zinc/06/27/50/171062750.db2.gz IHQYPQCLARGTPN-UHFFFAOYSA-N 0 3 261.321 1.644 10 10 CDCEHN Cc1cc(I)cc([C@H]([NH3+])CO)c1[O-] ZINC000072199717 176341529 /nfs/dbraw/zinc/34/15/29/176341529.db2.gz MYSMSSFNKFRZFF-MRVPVSSYSA-N 0 3 293.104 1.297 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000185993852 262075341 /nfs/dbraw/zinc/07/53/41/262075341.db2.gz YXHDKBJTKJHMJC-MNOVXSKESA-N 0 3 288.351 1.658 10 10 CDCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000186111264 262079861 /nfs/dbraw/zinc/07/98/61/262079861.db2.gz RQUUDOWWVSSMRC-ZYHUDNBSSA-N 0 3 295.358 1.986 10 10 CDCEHN CCN(CC)[C@H](C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000236871308 520859684 /nfs/dbraw/zinc/85/96/84/520859684.db2.gz ZNIKCZZYMDPBQM-LLVKDONJSA-N 0 3 280.368 1.941 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000084062920 525937252 /nfs/dbraw/zinc/93/72/52/525937252.db2.gz ZDJNNORLXQACJA-NWDGAFQWSA-N 0 3 262.353 1.972 10 10 CDCEHN CCCN(C)CC(=O)NCc1c(O)cccc1F ZINC000928712234 620507142 /nfs/dbraw/zinc/50/71/42/620507142.db2.gz PDFSGPCUWFVOHX-UHFFFAOYSA-N 0 3 254.305 1.489 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)c([O-])c1 ZINC000903281689 625952805 /nfs/dbraw/zinc/95/28/05/625952805.db2.gz QQYSNAJECGHMBU-CJNGLKHVSA-N 0 3 294.395 1.044 10 10 CDCEHN C[NH+]1C[C@@]2(C)CN(C(=O)c3cccc(O)c3[O-])C[C@]2(C)C1 ZINC000913280498 630423090 /nfs/dbraw/zinc/42/30/90/630423090.db2.gz DMSMPKNMCPERCP-HOTGVXAUSA-N 0 3 290.363 1.512 10 10 CDCEHN CN(C)c1ccc(CNCC(=O)NCc2ccco2)cc1 ZINC000030641942 630859102 /nfs/dbraw/zinc/85/91/02/630859102.db2.gz RRKIYIXEQXPTHG-UHFFFAOYSA-N 0 3 287.363 1.752 10 10 CDCEHN CC(=O)c1cc(F)cc(CN(C)C2C[NH2+]C2)c1[O-] ZINC000843385361 753554006 /nfs/dbraw/zinc/55/40/06/753554006.db2.gz DXAQTMBPPUFTGW-UHFFFAOYSA-N 0 3 252.289 1.138 10 10 CDCEHN CN(C)c1ccc(CN(C)C(=O)C(N)C(F)(F)F)cc1 ZINC000705521514 749883102 /nfs/dbraw/zinc/88/31/02/749883102.db2.gz LNKWCGNDXRQDKU-LLVKDONJSA-N 0 3 289.301 1.601 10 10 CDCEHN CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1[O-] ZINC000706722345 750142723 /nfs/dbraw/zinc/14/27/23/750142723.db2.gz IVTVOBCKNLZANU-SGMGOOAPSA-N 0 3 251.326 1.583 10 10 CDCEHN COC(=O)[C@@]1(OC)CCN(Cc2cc(OC)ccc2O)C1 ZINC000862475186 750195652 /nfs/dbraw/zinc/19/56/52/750195652.db2.gz BXFCCCKZQMTIEZ-OAHLLOKOSA-N 0 3 295.335 1.165 10 10 CDCEHN CO[C@@]1(CO)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826952943 750746585 /nfs/dbraw/zinc/74/65/85/750746585.db2.gz XQFMDBQJFHEANK-AWEZNQCLSA-N 0 3 269.316 1.505 10 10 CDCEHN CO[C@@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826952943 750746590 /nfs/dbraw/zinc/74/65/90/750746590.db2.gz XQFMDBQJFHEANK-AWEZNQCLSA-N 0 3 269.316 1.505 10 10 CDCEHN C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(F)ccc1[O-] ZINC000927137017 750834744 /nfs/dbraw/zinc/83/47/44/750834744.db2.gz SZBLSOPNNINOOS-OTYXRUKQSA-N 0 3 279.315 1.649 10 10 CDCEHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000835050081 751053117 /nfs/dbraw/zinc/05/31/17/751053117.db2.gz WPYKFXOJERDLCO-YBJDMEARSA-N 0 3 275.396 1.832 10 10 CDCEHN Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c(O)c1O ZINC000780940288 752789112 /nfs/dbraw/zinc/78/91/12/752789112.db2.gz PDCNWHIUICZCDB-LBPRGKRZSA-N 0 3 290.363 1.715 10 10 CDCEHN [O-]c1c(F)cccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817864635 753595465 /nfs/dbraw/zinc/59/54/65/753595465.db2.gz AIWSHNXZGVCSSH-UHFFFAOYSA-N 0 3 250.317 1.859 10 10 CDCEHN CCc1cccc(CNCC(=O)N(CC)OC)c1O ZINC000848919326 753823987 /nfs/dbraw/zinc/82/39/87/753823987.db2.gz JVIIUMWAKKJOAB-UHFFFAOYSA-N 0 3 266.341 1.454 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C2COCCOC2)c([O-])c1 ZINC000310837522 753828982 /nfs/dbraw/zinc/82/89/82/753828982.db2.gz MYUSSEMSYCWPLX-LLVKDONJSA-N 0 3 251.326 1.767 10 10 CDCEHN CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC001181839731 917412213 /nfs/dbraw/zinc/41/22/13/917412213.db2.gz ONZRPXWPCGEHLY-VIFPVBQESA-N 0 3 254.355 1.620 10 10 CDCEHN CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC001181839731 917412220 /nfs/dbraw/zinc/41/22/20/917412220.db2.gz ONZRPXWPCGEHLY-VIFPVBQESA-N 0 3 254.355 1.620 10 10 CDCEHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000835050080 936715303 /nfs/dbraw/zinc/71/53/03/936715303.db2.gz WPYKFXOJERDLCO-FWWRYZNZSA-N 0 3 275.396 1.832 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC(=O)OCC ZINC001118873873 937674302 /nfs/dbraw/zinc/67/43/02/937674302.db2.gz NQUAIWKVEJPXMD-AWEZNQCLSA-N 0 3 295.379 1.918 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC(=O)OCC ZINC001118873873 937674304 /nfs/dbraw/zinc/67/43/04/937674304.db2.gz NQUAIWKVEJPXMD-AWEZNQCLSA-N 0 3 295.379 1.918 10 10 CDCEHN COc1cccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000295059916 199324534 /nfs/dbraw/zinc/32/45/34/199324534.db2.gz GLKRDRASUPTBKF-ZFWWWQNUSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295059916 199324535 /nfs/dbraw/zinc/32/45/35/199324535.db2.gz GLKRDRASUPTBKF-ZFWWWQNUSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295059916 199324537 /nfs/dbraw/zinc/32/45/37/199324537.db2.gz GLKRDRASUPTBKF-ZFWWWQNUSA-N 0 3 292.379 1.306 10 10 CDCEHN CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000193131961 358267972 /nfs/dbraw/zinc/26/79/72/358267972.db2.gz IWVZMWOJCZVIIM-JQWIXIFHSA-N 0 3 278.352 1.556 10 10 CDCEHN CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)C1 ZINC000193131961 358267974 /nfs/dbraw/zinc/26/79/74/358267974.db2.gz IWVZMWOJCZVIIM-JQWIXIFHSA-N 0 3 278.352 1.556 10 10 CDCEHN CC(C)C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000236794817 358804474 /nfs/dbraw/zinc/80/44/74/358804474.db2.gz XMQXDCCFPBGJFQ-UHFFFAOYSA-N 0 3 279.359 1.508 10 10 CDCEHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OCO3)C1 ZINC000285186293 368595437 /nfs/dbraw/zinc/59/54/37/368595437.db2.gz VEUFQPYATDIHIO-PHIMTYICSA-N 0 3 265.309 1.730 10 10 CDCEHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OCO3)C1 ZINC000285186293 368595441 /nfs/dbraw/zinc/59/54/41/368595441.db2.gz VEUFQPYATDIHIO-PHIMTYICSA-N 0 3 265.309 1.730 10 10 CDCEHN CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000283811606 263084263 /nfs/dbraw/zinc/08/42/63/263084263.db2.gz BPFWDZWDOZMNAU-JSGCOSHPSA-N 0 3 267.369 1.640 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296421019 279027240 /nfs/dbraw/zinc/02/72/40/279027240.db2.gz LLKXCTHFNOCFOQ-DLOVCJGASA-N 0 3 260.337 1.636 10 10 CDCEHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]2CCCCN12 ZINC000373019230 327687069 /nfs/dbraw/zinc/68/70/69/327687069.db2.gz GEOOLKDKFUZAQZ-CHWSQXEVSA-N 0 3 260.337 1.635 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@H]2CCOC[C@@H]2C)cc1OC ZINC000277340106 328221067 /nfs/dbraw/zinc/22/10/67/328221067.db2.gz DDNNOYJMIHGMPJ-JQWIXIFHSA-N 0 3 281.352 1.924 10 10 CDCEHN C[C@@H](NCC[S@@](C)=O)c1ccc(N2CCOCC2)cc1 ZINC000766050644 575092912 /nfs/dbraw/zinc/09/29/12/575092912.db2.gz QKWSNWDHBTUZKZ-ZUOKHONESA-N 0 3 296.436 1.552 10 10 CDCEHN O=C1N(CC[NH2+]Cc2ccccc2[O-])C[C@@H]2CCCCN12 ZINC000895342081 619587175 /nfs/dbraw/zinc/58/71/75/619587175.db2.gz LYWCPUHKYWQOOM-AWEZNQCLSA-N 0 3 289.379 1.772 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895695653 619807645 /nfs/dbraw/zinc/80/76/45/619807645.db2.gz ATLHPOXJMLODTQ-UHFFFAOYSA-N 0 3 281.327 1.913 10 10 CDCEHN COC(=O)[C@]1(OC)CCN(Cc2c(O)cccc2OC)C1 ZINC000862474217 753845733 /nfs/dbraw/zinc/84/57/33/753845733.db2.gz OBZMGYXKALHYJY-HNNXBMFYSA-N 0 3 295.335 1.165 10 10 CDCEHN COC(=O)[C@]1(OC)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000862474217 753845739 /nfs/dbraw/zinc/84/57/39/753845739.db2.gz OBZMGYXKALHYJY-HNNXBMFYSA-N 0 3 295.335 1.165 10 10 CDCEHN COC(=O)[C@]1(OC)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000862474217 753845740 /nfs/dbraw/zinc/84/57/40/753845740.db2.gz OBZMGYXKALHYJY-HNNXBMFYSA-N 0 3 295.335 1.165 10 10 CDCEHN CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000800309322 754645028 /nfs/dbraw/zinc/64/50/28/754645028.db2.gz HQWSUDNEVSVGCX-YPMHNXCESA-N 0 3 298.408 1.200 10 10 CDCEHN O=C(c1cccc(O)c1[O-])N1CCC([NH+]2CCC2)CC1 ZINC000700429518 755190524 /nfs/dbraw/zinc/19/05/24/755190524.db2.gz HEOIZFMBSCZGHN-UHFFFAOYSA-N 0 3 276.336 1.408 10 10 CDCEHN Oc1cc2c(cc1CN1CC[C@@]3(O)C[C@H]3C1)OCO2 ZINC000827293384 755373072 /nfs/dbraw/zinc/37/30/72/755373072.db2.gz YLCQPIDYVBBUSK-IINYFYTJSA-N 0 3 263.293 1.078 10 10 CDCEHN O=S1(=O)CCC[C@H]1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000714347170 755804562 /nfs/dbraw/zinc/80/45/62/755804562.db2.gz IGOAHEARGKZSGE-QWHCGFSZSA-N 0 3 295.404 1.936 10 10 CDCEHN COC(=O)[C@]1(OC)CCN(Cc2cccc(OC)c2O)C1 ZINC000862473853 756021823 /nfs/dbraw/zinc/02/18/23/756021823.db2.gz HBSHKRMRVVISOV-HNNXBMFYSA-N 0 3 295.335 1.165 10 10 CDCEHN COC1(OC)CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000710873076 756512758 /nfs/dbraw/zinc/51/27/58/756512758.db2.gz GQJWYOAVODMXKK-CQSZACIVSA-N 0 3 263.337 1.863 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCNC2=O)c1[O-] ZINC000228672759 756563069 /nfs/dbraw/zinc/56/30/69/756563069.db2.gz HKCANLUAIAGOBS-SNVBAGLBSA-N 0 3 284.743 1.422 10 10 CDCEHN COc1cc(Cl)cc(CN[C@@H]2CCCNC2=O)c1O ZINC000228672759 756563077 /nfs/dbraw/zinc/56/30/77/756563077.db2.gz HKCANLUAIAGOBS-SNVBAGLBSA-N 0 3 284.743 1.422 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000069140986 756694042 /nfs/dbraw/zinc/69/40/42/756694042.db2.gz FWHNMOMBLCMEFC-QWRGUYRKSA-N 0 3 269.366 1.620 10 10 CDCEHN CCN1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126304692 756866156 /nfs/dbraw/zinc/86/61/56/756866156.db2.gz RRAQVSQAUXHDBW-SNVBAGLBSA-N 0 3 264.325 1.312 10 10 CDCEHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000835049419 756902416 /nfs/dbraw/zinc/90/24/16/756902416.db2.gz IPQBGJYPHDOLBW-DSYXLKISSA-N 0 3 293.386 1.830 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C2COCCOC2)c1[O-] ZINC000311853430 756923299 /nfs/dbraw/zinc/92/32/99/756923299.db2.gz JKKHWPZDNGTGAA-UHFFFAOYSA-N 0 3 287.743 1.559 10 10 CDCEHN C[C@H]1CC[C@@H](NCc2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850368039 757348123 /nfs/dbraw/zinc/34/81/23/757348123.db2.gz HUAWUBWBHNJXIA-GXTWGEPZSA-N 0 3 296.436 1.808 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000723536032 758382130 /nfs/dbraw/zinc/38/21/30/758382130.db2.gz JJJWXMLOFQGTCH-VXGBXAGGSA-N 0 3 262.353 1.830 10 10 CDCEHN CCOc1cccc(CN2CCN(CCO)[C@H](C)C2)c1O ZINC000190243248 758387413 /nfs/dbraw/zinc/38/74/13/758387413.db2.gz IUSYZGRABCGGEH-CYBMUJFWSA-N 0 3 294.395 1.289 10 10 CDCEHN C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccccc1[O-] ZINC000866494129 758817614 /nfs/dbraw/zinc/81/76/14/758817614.db2.gz JLVVCETVWKSFGV-NSHDSACASA-N 0 3 270.336 1.722 10 10 CDCEHN O=C(Cc1ccc(O)c(O)c1)NCCN1CCCCC1 ZINC001136224284 930803476 /nfs/dbraw/zinc/80/34/76/930803476.db2.gz PDZNEEIJAYIWQE-UHFFFAOYSA-N 0 3 278.352 1.242 10 10 CDCEHN CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001447424704 966784514 /nfs/dbraw/zinc/78/45/14/966784514.db2.gz DFQOTXRAKNCQJM-LLVKDONJSA-N 0 3 278.352 1.700 10 10 CDCEHN CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001447424704 966784518 /nfs/dbraw/zinc/78/45/18/966784518.db2.gz DFQOTXRAKNCQJM-LLVKDONJSA-N 0 3 278.352 1.700 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282265102 364022988 /nfs/dbraw/zinc/02/29/88/364022988.db2.gz KDDBXLZUAGGBSV-CWSCBRNRSA-N 0 3 278.352 1.719 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000361390032 368794730 /nfs/dbraw/zinc/79/47/30/368794730.db2.gz LPAFFELXPULSGI-RTXFEEFZSA-N 0 3 260.337 1.491 10 10 CDCEHN CCCC(=O)Nc1ccc(O)c([C@@H](C)NCC(N)=O)c1 ZINC000022142792 171355602 /nfs/dbraw/zinc/35/56/02/171355602.db2.gz FQDBMXYEQDOKEW-SECBINFHSA-N 0 3 279.340 1.267 10 10 CDCEHN COC(=O)CCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000037416966 173194024 /nfs/dbraw/zinc/19/40/24/173194024.db2.gz GFYGRGDBYXWWOQ-UHFFFAOYSA-N 0 3 253.298 1.444 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000077900269 260167362 /nfs/dbraw/zinc/16/73/62/260167362.db2.gz KZVSGNMMKMYAIA-NSHDSACASA-N 0 3 264.325 1.111 10 10 CDCEHN CC(C)[C@@H](CN(C)C)[NH2+]Cc1cccc(O)c1[O-] ZINC000049199588 519793675 /nfs/dbraw/zinc/79/36/75/519793675.db2.gz BHIXTIIGKYEUNM-GFCCVEGCSA-N 0 3 252.358 1.774 10 10 CDCEHN COc1ccc(N2CCN(C[C@H](O)C(C)C)CC2)cc1F ZINC000292678960 524426517 /nfs/dbraw/zinc/42/65/17/524426517.db2.gz QYGZJSZWGXFAQZ-HNNXBMFYSA-N 0 3 296.386 1.973 10 10 CDCEHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C1CCOCC1 ZINC000747624779 576877392 /nfs/dbraw/zinc/87/73/92/576877392.db2.gz VYLCGWXSHVSTAH-AWEZNQCLSA-N 0 3 290.363 1.262 10 10 CDCEHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)c(O)c1O ZINC000928431777 619030616 /nfs/dbraw/zinc/03/06/16/619030616.db2.gz AVPCCJLJSWMNEF-ONGXEEELSA-N 0 3 264.325 1.229 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]CC1(CCO)CC1)OCO2 ZINC000157318758 630595024 /nfs/dbraw/zinc/59/50/24/630595024.db2.gz FJFHPCXFNLTCAN-UHFFFAOYSA-N 0 3 265.309 1.373 10 10 CDCEHN C[C@@H](CC[NH+](C)C)NC(=O)NCc1c([O-])cccc1F ZINC000915152565 631659729 /nfs/dbraw/zinc/65/97/29/631659729.db2.gz DROANBVXIGYVKU-JTQLQIEISA-N 0 3 283.347 1.671 10 10 CDCEHN CCN1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001639122380 1166900689 /nfs/dbraw/zinc/90/06/89/1166900689.db2.gz IAPQXFMLCDRKDU-LBPRGKRZSA-N 0 3 278.352 1.241 10 10 CDCEHN COc1ccc(N(C)CCN(C)C[C@@](C)(O)C(C)=O)cc1 ZINC000844401438 769003516 /nfs/dbraw/zinc/00/35/16/769003516.db2.gz LMSSOYDXCJVLQB-MRXNPFEDSA-N 0 3 294.395 1.403 10 10 CDCEHN O=C1O[C@@H](C[NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000848577809 769099119 /nfs/dbraw/zinc/09/91/19/769099119.db2.gz JURNDXPOUYLBPU-LBPRGKRZSA-N 0 3 262.309 1.465 10 10 CDCEHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[NH+](C)C ZINC000922743603 769380062 /nfs/dbraw/zinc/38/00/62/769380062.db2.gz RHHIDQZYMULUHM-VIFPVBQESA-N 0 3 269.320 1.281 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000826952717 770051612 /nfs/dbraw/zinc/05/16/12/770051612.db2.gz QSBVIEOHJNFWRB-HNNXBMFYSA-N 0 3 281.352 1.374 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000826952717 770051632 /nfs/dbraw/zinc/05/16/32/770051632.db2.gz QSBVIEOHJNFWRB-HNNXBMFYSA-N 0 3 281.352 1.374 10 10 CDCEHN COc1ccc(N(C)C[C@H]2CNCCO2)cc1F ZINC000258863649 771450212 /nfs/dbraw/zinc/45/02/12/771450212.db2.gz HHBHESFCZNDPIC-LLVKDONJSA-N 0 3 254.305 1.259 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1[O-] ZINC000872148373 771781513 /nfs/dbraw/zinc/78/15/13/771781513.db2.gz DBJILJIIIINXOE-BLLLJJGKSA-N 0 3 292.354 1.775 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000228675400 772038248 /nfs/dbraw/zinc/03/82/48/772038248.db2.gz UWOFNQFXXOKFPK-JTQLQIEISA-N 0 3 284.743 1.422 10 10 CDCEHN COC[C@H]1CCN1Cc1cc(C)cc(OC)c1O ZINC000840083766 772046245 /nfs/dbraw/zinc/04/62/45/772046245.db2.gz RTUSTANRVVYPSE-GFCCVEGCSA-N 0 3 251.326 1.930 10 10 CDCEHN C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@]2(C)C1 ZINC000702464635 772064528 /nfs/dbraw/zinc/06/45/28/772064528.db2.gz DFOLQJTUXVVXPF-BMIGLBTASA-N 0 3 276.336 1.122 10 10 CDCEHN C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@]2(C)C1 ZINC000702464635 772064537 /nfs/dbraw/zinc/06/45/37/772064537.db2.gz DFOLQJTUXVVXPF-BMIGLBTASA-N 0 3 276.336 1.122 10 10 CDCEHN CN(Cc1ccccc1O)C(=O)[C@@H](N)Cc1ccccc1 ZINC000037823757 772604368 /nfs/dbraw/zinc/60/43/68/772604368.db2.gz HHAABFXLISLYCQ-HNNXBMFYSA-N 0 3 284.359 1.921 10 10 CDCEHN C[C@@H](C[NH+](C)C)NC(=O)NCc1c([O-])cccc1F ZINC000922479185 772719134 /nfs/dbraw/zinc/71/91/34/772719134.db2.gz RXOWOOTWUAUZSX-VIFPVBQESA-N 0 3 269.320 1.281 10 10 CDCEHN CCOc1ccc(O)c(CN2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726768 772890578 /nfs/dbraw/zinc/89/05/78/772890578.db2.gz SYMSFNNDUBLFCJ-AWEZNQCLSA-N 0 3 287.306 1.993 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724564010 773292481 /nfs/dbraw/zinc/29/24/81/773292481.db2.gz SQFONFLUGLOAIT-FJJYHAOUSA-N 0 3 263.337 1.847 10 10 CDCEHN C[C@H](Cn1cncn1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834544190 936693427 /nfs/dbraw/zinc/69/34/27/936693427.db2.gz JBYIYXWOTFCQDX-PWSUYJOCSA-N 0 3 258.325 1.649 10 10 CDCEHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000795675118 934911231 /nfs/dbraw/zinc/91/12/31/934911231.db2.gz PNBWXNVPTBQCBB-WDMOLILDSA-N 0 3 279.336 1.427 10 10 CDCEHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000795675118 934911235 /nfs/dbraw/zinc/91/12/35/934911235.db2.gz PNBWXNVPTBQCBB-WDMOLILDSA-N 0 3 279.336 1.427 10 10 CDCEHN O=C(NCc1c([O-])cccc1F)C12CCC[NH+]1CCC2 ZINC001332476150 957581901 /nfs/dbraw/zinc/58/19/01/957581901.db2.gz CRKDTLORAWIZJM-UHFFFAOYSA-N 0 3 278.327 1.776 10 10 CDCEHN C[C@H]([NH2+]CC(=O)Nc1cnccn1)c1ccccc1[O-] ZINC001560074749 960859187 /nfs/dbraw/zinc/85/91/87/960859187.db2.gz DIPQCCHFXLVLLF-JTQLQIEISA-N 0 3 272.308 1.472 10 10 CDCEHN C[C@H](NCC(=O)Nc1cnccn1)c1ccccc1O ZINC001560074749 960859219 /nfs/dbraw/zinc/85/92/19/960859219.db2.gz DIPQCCHFXLVLLF-JTQLQIEISA-N 0 3 272.308 1.472 10 10 CDCEHN CCc1cccc(CN2CCN(CCO)C[C@@H]2C)c1O ZINC000848914163 969352597 /nfs/dbraw/zinc/35/25/97/969352597.db2.gz FIUTXGIBUKSISR-ZDUSSCGKSA-N 0 3 278.396 1.453 10 10 CDCEHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)C(F)F ZINC000295022120 199304650 /nfs/dbraw/zinc/30/46/50/199304650.db2.gz KRAMAHAOAMRLHC-UFBFGSQYSA-N 0 3 289.278 1.615 10 10 CDCEHN COc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000371405381 370274084 /nfs/dbraw/zinc/27/40/84/370274084.db2.gz CVMUZEPAFLUJLU-CJNGLKHVSA-N 0 3 293.363 1.829 10 10 CDCEHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1C ZINC000295124009 371133196 /nfs/dbraw/zinc/13/31/96/371133196.db2.gz NSAAODHEIDZLIY-WBVHZDCISA-N 0 3 290.407 1.914 10 10 CDCEHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1C ZINC000295124009 371133199 /nfs/dbraw/zinc/13/31/99/371133199.db2.gz NSAAODHEIDZLIY-WBVHZDCISA-N 0 3 290.407 1.914 10 10 CDCEHN O=C1N=C(N2CCNCC2)S/C1=C/c1ccccc1 ZINC000020413010 296355098 /nfs/dbraw/zinc/35/50/98/296355098.db2.gz KEEZZHPNCUDSCF-ZRDIBKRKSA-N 0 3 273.361 1.562 10 10 CDCEHN CN(C(=O)CCc1ccc(N)cc1)C1CCN(C)CC1 ZINC000037222603 173043134 /nfs/dbraw/zinc/04/31/34/173043134.db2.gz FXMLJZHERDQIBO-UHFFFAOYSA-N 0 3 275.396 1.754 10 10 CDCEHN CN(C)c1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1 ZINC000077900331 260167454 /nfs/dbraw/zinc/16/74/54/260167454.db2.gz TVQXLSWTPKNHBB-ZDUSSCGKSA-N 0 3 261.369 1.463 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H](CO)C1CCCC1)OCO2 ZINC000289545040 527609451 /nfs/dbraw/zinc/60/94/51/527609451.db2.gz JXCGRCVPNPBXJG-LBPRGKRZSA-N 0 3 279.336 1.762 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@@H]2COC[C@H]2O)cc1 ZINC000842212085 777826520 /nfs/dbraw/zinc/82/65/20/777826520.db2.gz KYQRMOCHWPZGGE-LRPXVYOUSA-N 0 3 262.353 1.115 10 10 CDCEHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCOC ZINC000052808555 773802515 /nfs/dbraw/zinc/80/25/15/773802515.db2.gz IXSIVZZIMMOUAG-HNNXBMFYSA-N 0 3 293.411 1.465 10 10 CDCEHN COc1ccc(O)c(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000827169782 773888195 /nfs/dbraw/zinc/88/81/95/773888195.db2.gz FWSRQRMJOPTHQY-PWSUYJOCSA-N 0 3 299.392 1.456 10 10 CDCEHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000824501698 773889645 /nfs/dbraw/zinc/88/96/45/773889645.db2.gz SHEIZOHGFXJGCV-ZFWWWQNUSA-N 0 3 280.343 1.436 10 10 CDCEHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000824501698 773889647 /nfs/dbraw/zinc/88/96/47/773889647.db2.gz SHEIZOHGFXJGCV-ZFWWWQNUSA-N 0 3 280.343 1.436 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)C[C@@H]2C)cc1C ZINC000825337659 774834954 /nfs/dbraw/zinc/83/49/54/774834954.db2.gz HWSIUQXPEMLJKG-AWEZNQCLSA-N 0 3 278.396 1.507 10 10 CDCEHN CCS(=O)(=O)C1(CNCc2c(O)cccc2OC)CC1 ZINC000850397971 775562857 /nfs/dbraw/zinc/56/28/57/775562857.db2.gz MNTAMAGTJHSNQQ-UHFFFAOYSA-N 0 3 299.392 1.458 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000846047717 775974396 /nfs/dbraw/zinc/97/43/96/775974396.db2.gz APQJNHONPINUDK-CQSZACIVSA-N 0 3 285.771 1.985 10 10 CDCEHN CC(=O)NCCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843427507 776379712 /nfs/dbraw/zinc/37/97/12/776379712.db2.gz FWCBANSHRFAWBU-WAYWQWQTSA-N 0 3 275.396 1.834 10 10 CDCEHN CN1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841727566 777109278 /nfs/dbraw/zinc/10/92/78/777109278.db2.gz QMIXDVSCWLIDDP-CQSZACIVSA-N 0 3 276.384 1.205 10 10 CDCEHN COc1ccc(O)c(CN(C)C[C@@H]2CN(C)CCO2)c1 ZINC000709429205 777214288 /nfs/dbraw/zinc/21/42/88/777214288.db2.gz YPHBYIZURVGGBV-AWEZNQCLSA-N 0 3 280.368 1.163 10 10 CDCEHN C[C@@H]1CCN(CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000847589674 777435282 /nfs/dbraw/zinc/43/52/82/777435282.db2.gz LTUHRJVYBHNUMR-LLVKDONJSA-N 0 3 278.352 1.098 10 10 CDCEHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000812290514 777517589 /nfs/dbraw/zinc/51/75/89/777517589.db2.gz DVJZQJBKDTZEEP-WFASDCNBSA-N 0 3 293.363 1.817 10 10 CDCEHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000812290514 777517596 /nfs/dbraw/zinc/51/75/96/777517596.db2.gz DVJZQJBKDTZEEP-WFASDCNBSA-N 0 3 293.363 1.817 10 10 CDCEHN CC[S@@](=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168766414 777735356 /nfs/dbraw/zinc/73/53/56/777735356.db2.gz JJOTVWVWTQWRGP-XLFHBGCDSA-N 0 3 259.346 1.951 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929974854 777812452 /nfs/dbraw/zinc/81/24/52/777812452.db2.gz CAENOJFEBPKULY-KCQAQPDRSA-N 0 3 263.337 1.628 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929974854 777812454 /nfs/dbraw/zinc/81/24/54/777812454.db2.gz CAENOJFEBPKULY-KCQAQPDRSA-N 0 3 263.337 1.628 10 10 CDCEHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000132098422 778552640 /nfs/dbraw/zinc/55/26/40/778552640.db2.gz FKDUEBNPZRUSPS-CQSZACIVSA-N 0 3 294.370 1.883 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c1 ZINC000817970925 778691943 /nfs/dbraw/zinc/69/19/43/778691943.db2.gz HSICWOMTVLOUHM-MJVIPROJSA-N 0 3 292.379 1.827 10 10 CDCEHN Cc1ccc(O)c([C@H](C)N[C@H](CO)c2ccnn2C)c1 ZINC000858434730 779064806 /nfs/dbraw/zinc/06/48/06/779064806.db2.gz NUMPMAXEDCUZMY-WCQYABFASA-N 0 3 275.352 1.818 10 10 CDCEHN COC(=O)N(C)CCN(C)Cc1cc(OC)ccc1O ZINC000690814668 899779159 /nfs/dbraw/zinc/77/91/59/899779159.db2.gz CPOVPLPFJBETCH-UHFFFAOYSA-N 0 3 282.340 1.531 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000862531438 929421616 /nfs/dbraw/zinc/42/16/16/929421616.db2.gz GTKJYYFHOOUOHM-CYBMUJFWSA-N 0 3 284.787 1.510 10 10 CDCEHN COc1ccc(CN2C[C@H](C)[NH2+]C[C@H]2C)c([O-])c1 ZINC000083383246 178385424 /nfs/dbraw/zinc/38/54/24/178385424.db2.gz RWAUFZYTNXEYSZ-WDEREUQCSA-N 0 3 250.342 1.583 10 10 CDCEHN Cc1cccc(C[NH2+]CC2(C)OCCCO2)c1[O-] ZINC000190839123 358095155 /nfs/dbraw/zinc/09/51/55/358095155.db2.gz BKEKMQXIPGPJEE-UHFFFAOYSA-N 0 3 251.326 1.943 10 10 CDCEHN Cc1cccc(CNCC2(C)OCCCO2)c1O ZINC000190839123 358095160 /nfs/dbraw/zinc/09/51/60/358095160.db2.gz BKEKMQXIPGPJEE-UHFFFAOYSA-N 0 3 251.326 1.943 10 10 CDCEHN COCC[N@H+](CCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000271705343 364994290 /nfs/dbraw/zinc/99/42/90/364994290.db2.gz FGRXFMXBAFXLHB-UHFFFAOYSA-N 0 3 273.760 1.795 10 10 CDCEHN COCC[N@@H+](CCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000271705343 364994294 /nfs/dbraw/zinc/99/42/94/364994294.db2.gz FGRXFMXBAFXLHB-UHFFFAOYSA-N 0 3 273.760 1.795 10 10 CDCEHN CN1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000121014897 390878665 /nfs/dbraw/zinc/87/86/65/390878665.db2.gz HSKHUGUTMYYORV-NSHDSACASA-N 0 3 252.333 1.915 10 10 CDCEHN CN1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000121014897 390878666 /nfs/dbraw/zinc/87/86/66/390878666.db2.gz HSKHUGUTMYYORV-NSHDSACASA-N 0 3 252.333 1.915 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000183449832 391264681 /nfs/dbraw/zinc/26/46/81/391264681.db2.gz DSPBYJLREITICV-VIFPVBQESA-N 0 3 268.744 1.661 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000183449832 391264685 /nfs/dbraw/zinc/26/46/85/391264685.db2.gz DSPBYJLREITICV-VIFPVBQESA-N 0 3 268.744 1.661 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000527955574 393005643 /nfs/dbraw/zinc/00/56/43/393005643.db2.gz MQXRSXYEDWVIBY-NILFDRSVSA-N 0 3 265.353 1.891 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000527955572 393005701 /nfs/dbraw/zinc/00/57/01/393005701.db2.gz MQXRSXYEDWVIBY-CQDKDKBSSA-N 0 3 265.353 1.891 10 10 CDCEHN CN1CCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227440329 393208061 /nfs/dbraw/zinc/20/80/61/393208061.db2.gz VJAPLELAQWPQHJ-NSHDSACASA-N 0 3 264.325 1.305 10 10 CDCEHN COc1cc(Br)cc([C@@H]([NH3+])CO)c1[O-] ZINC000072199333 176340394 /nfs/dbraw/zinc/34/03/94/176340394.db2.gz DNSGEYWSPXGRGL-ZETCQYMHSA-N 0 3 262.103 1.155 10 10 CDCEHN O[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC12CC2 ZINC000368734290 267200649 /nfs/dbraw/zinc/20/06/49/267200649.db2.gz WHRWFSQBHLLQJF-MRXNPFEDSA-N 0 3 288.391 1.480 10 10 CDCEHN COc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000369391856 267238655 /nfs/dbraw/zinc/23/86/55/267238655.db2.gz PTMKJMBMMPQWAE-OAHLLOKOSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1cccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000369391856 267238658 /nfs/dbraw/zinc/23/86/58/267238658.db2.gz PTMKJMBMMPQWAE-OAHLLOKOSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1ccc(C[NH2+][C@@H]2CCCN(C)C2)c([O-])c1 ZINC000040906867 1159754688 /nfs/dbraw/zinc/75/46/88/1159754688.db2.gz XCOUCQRHZLHELK-GFCCVEGCSA-N 0 3 250.342 1.585 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1[O-] ZINC000277728237 526039751 /nfs/dbraw/zinc/03/97/51/526039751.db2.gz JKUSDUBFFOHONX-PWSUYJOCSA-N 0 3 251.326 1.915 10 10 CDCEHN CCCN1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000769358939 576348737 /nfs/dbraw/zinc/34/87/37/576348737.db2.gz DOINCSXRYIBMAC-CYBMUJFWSA-N 0 3 262.353 1.883 10 10 CDCEHN CCc1cccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O ZINC000848918578 782249636 /nfs/dbraw/zinc/24/96/36/782249636.db2.gz DWIXXWAZSIJZEP-ZJNRKIDTSA-N 0 3 265.378 1.660 10 10 CDCEHN CC(=O)C(=O)COC(=O)c1ccc(CN2CCCC2)cc1 ZINC000808549063 782259865 /nfs/dbraw/zinc/25/98/65/782259865.db2.gz PSTVVJPBHRDYRP-UHFFFAOYSA-N 0 3 289.331 1.597 10 10 CDCEHN COc1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c([O-])c1 ZINC000801735965 782791131 /nfs/dbraw/zinc/79/11/31/782791131.db2.gz UMXFDMJBIUVFNF-ZDUSSCGKSA-N 0 3 278.352 1.548 10 10 CDCEHN CN(C)c1ccc(CN[C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000858340896 783049099 /nfs/dbraw/zinc/04/90/99/783049099.db2.gz RIXGKBYMCWRPNR-INIZCTEOSA-N 0 3 287.407 1.996 10 10 CDCEHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CO ZINC000817417994 783142421 /nfs/dbraw/zinc/14/24/21/783142421.db2.gz WWPQLPFLSLBJGV-GFCCVEGCSA-N 0 3 257.305 1.095 10 10 CDCEHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)CO ZINC000817417994 783142430 /nfs/dbraw/zinc/14/24/30/783142430.db2.gz WWPQLPFLSLBJGV-GFCCVEGCSA-N 0 3 257.305 1.095 10 10 CDCEHN CCN(C)c1ccc(CN2CCN(CCO)C[C@H]2C)cc1 ZINC000832784208 783193015 /nfs/dbraw/zinc/19/30/15/783193015.db2.gz WDXIFBPHNAWUGR-OAHLLOKOSA-N 0 3 291.439 1.641 10 10 CDCEHN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCN(C)C1 ZINC000855360146 780278241 /nfs/dbraw/zinc/27/82/41/780278241.db2.gz HQXQMAVMVVPWNE-SCXUMTSISA-N 0 3 290.363 1.664 10 10 CDCEHN O=C(c1cc([O-])cs1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856256664 780466007 /nfs/dbraw/zinc/46/60/07/780466007.db2.gz NFJAFDCGAJQKJS-LLVKDONJSA-N 0 3 296.392 1.125 10 10 CDCEHN O=C(c1cc([O-])cs1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856256664 780466048 /nfs/dbraw/zinc/46/60/48/780466048.db2.gz NFJAFDCGAJQKJS-LLVKDONJSA-N 0 3 296.392 1.125 10 10 CDCEHN CC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000872798958 781005549 /nfs/dbraw/zinc/00/55/49/781005549.db2.gz UPSPJGUUQOXPFD-UHFFFAOYSA-N 0 3 277.320 1.922 10 10 CDCEHN C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927128717 781072585 /nfs/dbraw/zinc/07/25/85/781072585.db2.gz DQFNTWMDCYCNOF-YGRLFVJLSA-N 0 3 261.325 1.510 10 10 CDCEHN C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508402 781840580 /nfs/dbraw/zinc/84/05/80/781840580.db2.gz NEPPUXVKEYDZIL-IUODEOHRSA-N 0 3 281.352 1.211 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([O-])c1 ZINC000827292739 936585688 /nfs/dbraw/zinc/58/56/88/936585688.db2.gz SFAAZQIJHQSKOC-SWLSCSKDSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([O-])c1 ZINC000827292739 936585690 /nfs/dbraw/zinc/58/56/90/936585690.db2.gz SFAAZQIJHQSKOC-SWLSCSKDSA-N 0 3 263.337 1.748 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@H]2CCCNC2=O)cc1 ZINC000835038966 936715318 /nfs/dbraw/zinc/71/53/18/936715318.db2.gz ZYZDLRIDCKVJJM-QTLSWZBMSA-N 0 3 273.380 1.634 10 10 CDCEHN CNC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001193198456 923523812 /nfs/dbraw/zinc/52/38/12/923523812.db2.gz NGZZYZSYZLAQMR-CQSZACIVSA-N 0 3 290.411 1.564 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c([O-])c1 ZINC000850507283 927439324 /nfs/dbraw/zinc/43/93/24/927439324.db2.gz IKAOEWRLCPPYLT-CZUORRHYSA-N 0 3 295.379 1.519 10 10 CDCEHN CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@H](C)N1 ZINC000856407820 928591937 /nfs/dbraw/zinc/59/19/37/928591937.db2.gz CIKARWIVKONDHX-WDEREUQCSA-N 0 3 278.352 1.619 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528599 929421690 /nfs/dbraw/zinc/42/16/90/929421690.db2.gz BWDALCLRYPDZIT-BLLLJJGKSA-N 0 3 277.364 1.995 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862528599 929421697 /nfs/dbraw/zinc/42/16/97/929421697.db2.gz BWDALCLRYPDZIT-BLLLJJGKSA-N 0 3 277.364 1.995 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c([O-])c1 ZINC000824726413 931481486 /nfs/dbraw/zinc/48/14/86/931481486.db2.gz LXWSBTXKWHRBBJ-AWEZNQCLSA-N 0 3 287.306 1.993 10 10 CDCEHN CCOc1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c([O-])c1 ZINC000824726413 931481489 /nfs/dbraw/zinc/48/14/89/931481489.db2.gz LXWSBTXKWHRBBJ-AWEZNQCLSA-N 0 3 287.306 1.993 10 10 CDCEHN CCOc1ccc(CN2CC[C@@](O)(C(F)F)C2)c(O)c1 ZINC000824726413 931481491 /nfs/dbraw/zinc/48/14/91/931481491.db2.gz LXWSBTXKWHRBBJ-AWEZNQCLSA-N 0 3 287.306 1.993 10 10 CDCEHN CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927134159 933046968 /nfs/dbraw/zinc/04/69/68/933046968.db2.gz HFTZEDVEXZENNU-IUODEOHRSA-N 0 3 275.352 1.900 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c([O-])c1 ZINC000404171887 940955113 /nfs/dbraw/zinc/95/51/13/940955113.db2.gz OUBOODHCEYWCMG-SWLSCSKDSA-N 0 3 265.353 1.893 10 10 CDCEHN COc1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)c([O-])c1 ZINC000849025102 969415044 /nfs/dbraw/zinc/41/50/44/969415044.db2.gz OCXHZAYFKVAOEY-SNVBAGLBSA-N 0 3 279.340 1.146 10 10 CDCEHN Nc1nccc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000367658838 358092337 /nfs/dbraw/zinc/09/23/37/358092337.db2.gz QOJOPUDZHGCLIX-LBPRGKRZSA-N 0 3 284.363 1.974 10 10 CDCEHN Nc1nccc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000367658838 358092342 /nfs/dbraw/zinc/09/23/42/358092342.db2.gz QOJOPUDZHGCLIX-LBPRGKRZSA-N 0 3 284.363 1.974 10 10 CDCEHN NCC[C@@H]([NH3+])c1ccc(Br)c(F)c1[O-] ZINC000306654894 364347753 /nfs/dbraw/zinc/34/77/53/364347753.db2.gz KBJCTVDOMDYUMR-SSDOTTSWSA-N 0 3 263.110 1.642 10 10 CDCEHN C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000183441676 391264382 /nfs/dbraw/zinc/26/43/82/391264382.db2.gz QYCWNUQJWAQFDP-KGLIPLIRSA-N 0 3 278.396 1.890 10 10 CDCEHN CC[C@](C)(O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000119395475 391312711 /nfs/dbraw/zinc/31/27/11/391312711.db2.gz DZHXAFHEKIYHFD-INIZCTEOSA-N 0 3 278.396 1.978 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(O)ccc1[O-] ZINC000038082773 174091702 /nfs/dbraw/zinc/09/17/02/174091702.db2.gz FESOCGCQJHRXNQ-UWVGGRQHSA-N 0 3 285.365 1.183 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@H]2CCOC[C@H]2C)cc1OC ZINC000277340109 328221124 /nfs/dbraw/zinc/22/11/24/328221124.db2.gz DDNNOYJMIHGMPJ-PWSUYJOCSA-N 0 3 281.352 1.924 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1)OCO2 ZINC000230316768 333316287 /nfs/dbraw/zinc/31/62/87/333316287.db2.gz ZOIPNOODOACLRN-XHDPSFHLSA-N 0 3 277.320 1.778 10 10 CDCEHN CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000280616700 520857501 /nfs/dbraw/zinc/85/75/01/520857501.db2.gz PWWAFVVVPCEYNM-LLVKDONJSA-N 0 3 280.368 1.866 10 10 CDCEHN CCOc1ccc(O)c(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000128197203 521149442 /nfs/dbraw/zinc/14/94/42/521149442.db2.gz VMXXFHKBHHWKNS-HNNXBMFYSA-N 0 3 294.395 1.553 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@H](C)[C@H](C)OC)cc1OC ZINC000290904339 522782528 /nfs/dbraw/zinc/78/25/28/522782528.db2.gz MKILXJQYYSDBNT-ZJUUUORDSA-N 0 3 269.341 1.922 10 10 CDCEHN O=C1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CN1 ZINC000279494774 527035631 /nfs/dbraw/zinc/03/56/31/527035631.db2.gz VGWCZSQHANAIET-CQSZACIVSA-N 0 3 264.300 1.243 10 10 CDCEHN O=C1C[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)CN1 ZINC000279494774 527035632 /nfs/dbraw/zinc/03/56/32/527035632.db2.gz VGWCZSQHANAIET-CQSZACIVSA-N 0 3 264.300 1.243 10 10 CDCEHN COc1cccc([O-])c1CN1CCC([NH+](C)C)CC1 ZINC000768530419 576293619 /nfs/dbraw/zinc/29/36/19/576293619.db2.gz ICEWVFCJSLHJSW-UHFFFAOYSA-N 0 3 264.369 1.927 10 10 CDCEHN C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894957521 619159717 /nfs/dbraw/zinc/15/97/17/619159717.db2.gz MFANMZLLKQEEMZ-SNVBAGLBSA-N 0 3 286.322 1.169 10 10 CDCEHN C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894957521 619159719 /nfs/dbraw/zinc/15/97/19/619159719.db2.gz MFANMZLLKQEEMZ-SNVBAGLBSA-N 0 3 286.322 1.169 10 10 CDCEHN C[C@@H]1[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCN1C ZINC000925347019 633206009 /nfs/dbraw/zinc/20/60/09/633206009.db2.gz WHDOGSGROGBEIX-MFKMUULPSA-N 0 3 275.352 1.510 10 10 CDCEHN COc1cc(Cl)cc(CNCC(=O)NCC2CC2)c1O ZINC000393057978 1187283960 /nfs/dbraw/zinc/28/39/60/1187283960.db2.gz NRVIJCJABIDBII-UHFFFAOYSA-N 0 3 298.770 1.670 10 10 CDCEHN CSCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000870987677 1165249901 /nfs/dbraw/zinc/24/99/01/1165249901.db2.gz AEKVDGXQRAXPGR-ONGXEEELSA-N 0 3 268.382 1.650 10 10 CDCEHN CCN1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835055716 936715415 /nfs/dbraw/zinc/71/54/15/936715415.db2.gz YCMNIRKIQUGLQR-LLYBFZRZSA-N 0 3 287.407 1.976 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC000850344735 927417370 /nfs/dbraw/zinc/41/73/70/927417370.db2.gz UIVRFYQVIHHSRW-CJNGLKHVSA-N 0 3 295.379 1.932 10 10 CDCEHN O=S1(=O)CC(CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000787418813 929369062 /nfs/dbraw/zinc/36/90/62/929369062.db2.gz ZUMZZEHQAHHMMD-UHFFFAOYSA-N 0 3 273.329 1.056 10 10 CDCEHN CCc1cccc(CN2CCC[C@@H]2C(=O)NC)c1O ZINC000692129752 934547064 /nfs/dbraw/zinc/54/70/64/934547064.db2.gz PCHKLAWSJCVUFJ-CYBMUJFWSA-N 0 3 262.353 1.665 10 10 CDCEHN COc1cccc(O)c1CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848578022 969183499 /nfs/dbraw/zinc/18/34/99/969183499.db2.gz MLRHOMYSEDMURJ-LLVKDONJSA-N 0 3 292.335 1.474 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848578022 969183504 /nfs/dbraw/zinc/18/35/04/969183504.db2.gz MLRHOMYSEDMURJ-LLVKDONJSA-N 0 3 292.335 1.474 10 10 CDCEHN C[C@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000245760714 361916252 /nfs/dbraw/zinc/91/62/52/361916252.db2.gz PPZJJZCDYSQZFO-GJZGRUSLSA-N 0 3 291.439 1.640 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](C)CCOCCO)c1[O-] ZINC000282677770 367988586 /nfs/dbraw/zinc/98/85/86/367988586.db2.gz IAXKDCKZUUGDCJ-UHFFFAOYSA-N 0 3 273.760 1.795 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](C)CCOCCO)c1[O-] ZINC000282677770 367988588 /nfs/dbraw/zinc/98/85/88/367988588.db2.gz IAXKDCKZUUGDCJ-UHFFFAOYSA-N 0 3 273.760 1.795 10 10 CDCEHN COc1cccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284184815 368504471 /nfs/dbraw/zinc/50/44/71/368504471.db2.gz XVNZOVDBYAXNBM-OCCSQVGLSA-N 0 3 297.395 1.648 10 10 CDCEHN C[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000237639146 376005674 /nfs/dbraw/zinc/00/56/74/376005674.db2.gz LULRUWJZSNBBNP-WCQYABFASA-N 0 3 291.370 1.508 10 10 CDCEHN CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(O)c1[O-] ZINC000126407125 260351366 /nfs/dbraw/zinc/35/13/66/260351366.db2.gz BKPFEPQCWAZKPM-SNVBAGLBSA-N 0 3 264.325 1.122 10 10 CDCEHN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccc(O)c1[O-] ZINC000126407125 260351368 /nfs/dbraw/zinc/35/13/68/260351368.db2.gz BKPFEPQCWAZKPM-SNVBAGLBSA-N 0 3 264.325 1.122 10 10 CDCEHN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000283811603 263084298 /nfs/dbraw/zinc/08/42/98/263084298.db2.gz BPFWDZWDOZMNAU-GXTWGEPZSA-N 0 3 267.369 1.640 10 10 CDCEHN O[C@@H](CNCc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000527762367 281180164 /nfs/dbraw/zinc/18/01/64/281180164.db2.gz ZOGRXHHJNNPUGE-ZFWWWQNUSA-N 0 3 263.337 1.251 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000094618341 525602010 /nfs/dbraw/zinc/60/20/10/525602010.db2.gz UMSWQHHKKCBMHV-ONGXEEELSA-N 0 3 266.316 1.803 10 10 CDCEHN C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000093522924 1174441230 /nfs/dbraw/zinc/44/12/30/1174441230.db2.gz CGEGSPMUMZHABP-JTQLQIEISA-N 0 3 271.382 1.866 10 10 CDCEHN COCCN(CCOC)Cc1cc2c(cc1O)CCC2 ZINC000747450627 576870857 /nfs/dbraw/zinc/87/08/57/576870857.db2.gz BDJPDJBLNFXRDO-UHFFFAOYSA-N 0 3 279.380 1.976 10 10 CDCEHN COCC[NH+](CCOC)Cc1cc2c(cc1[O-])CCC2 ZINC000747450627 576870858 /nfs/dbraw/zinc/87/08/58/576870858.db2.gz BDJPDJBLNFXRDO-UHFFFAOYSA-N 0 3 279.380 1.976 10 10 CDCEHN CC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)OC ZINC000895124756 619320186 /nfs/dbraw/zinc/32/01/86/619320186.db2.gz YOBKDISXPKTINB-VIFPVBQESA-N 0 3 255.289 1.820 10 10 CDCEHN CCOc1ccc(CN2CC[C@H](NC(=O)OC)C2)c(O)c1 ZINC000895851349 619872608 /nfs/dbraw/zinc/87/26/08/619872608.db2.gz WAIYOHQJFCDWLX-LBPRGKRZSA-N 0 3 294.351 1.721 10 10 CDCEHN C[C@H]1[C@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000915518629 631758310 /nfs/dbraw/zinc/75/83/10/631758310.db2.gz XLODLBCZKJEHIK-CMPLNLGQSA-N 0 3 263.341 1.284 10 10 CDCEHN COCC(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001715780740 1179805188 /nfs/dbraw/zinc/80/51/88/1179805188.db2.gz OKVDNRQEOWJZMN-SNAWJCMRSA-N 0 3 292.379 1.412 10 10 CDCEHN CCc1cccc(CN2CCN(CCO)C[C@H]2C)c1O ZINC000848914162 784639978 /nfs/dbraw/zinc/63/99/78/784639978.db2.gz FIUTXGIBUKSISR-CYBMUJFWSA-N 0 3 278.396 1.453 10 10 CDCEHN CCOc1ccc(C[N@H+](C[C@H](O)CO)C(C)C)c([O-])c1 ZINC000817417434 784920142 /nfs/dbraw/zinc/92/01/42/784920142.db2.gz GXSOUVWDDXHCKZ-ZDUSSCGKSA-N 0 3 283.368 1.355 10 10 CDCEHN CCOc1ccc(C[N@@H+](C[C@H](O)CO)C(C)C)c([O-])c1 ZINC000817417434 784920157 /nfs/dbraw/zinc/92/01/57/784920157.db2.gz GXSOUVWDDXHCKZ-ZDUSSCGKSA-N 0 3 283.368 1.355 10 10 CDCEHN COc1ccc(O)c([C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC000847590796 785486927 /nfs/dbraw/zinc/48/69/27/785486927.db2.gz HTWVAEDBXLLGON-NEPJUHHUSA-N 0 3 292.379 1.920 10 10 CDCEHN COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000839538917 786009279 /nfs/dbraw/zinc/00/92/79/786009279.db2.gz OMJRCMCZEZXKBR-LLVKDONJSA-N 0 3 294.351 1.112 10 10 CDCEHN COCCN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000782976315 786217839 /nfs/dbraw/zinc/21/78/39/786217839.db2.gz LBXAIMQTEZFHQA-GFCCVEGCSA-N 0 3 295.335 1.358 10 10 CDCEHN CN(C)c1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000824726256 786347986 /nfs/dbraw/zinc/34/79/86/786347986.db2.gz JWNWWDBIIZUIQK-CQSZACIVSA-N 0 3 270.323 1.955 10 10 CDCEHN [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[C@H]1F ZINC000853248214 787736831 /nfs/dbraw/zinc/73/68/31/787736831.db2.gz OEHFIKBEQHATGA-GHMZBOCLSA-N 0 3 258.724 1.917 10 10 CDCEHN Cc1cc(Cl)cc(CNCc2cn[nH]n2)c1O ZINC000862424039 788148067 /nfs/dbraw/zinc/14/80/67/788148067.db2.gz FZOPMDIMKIWWQL-UHFFFAOYSA-N 0 3 252.705 1.762 10 10 CDCEHN C[C@H](NS(=O)(=O)CCCN(C)C)c1ccccc1O ZINC000867836360 788379197 /nfs/dbraw/zinc/37/91/97/788379197.db2.gz PTOZTLVCYYECBY-NSHDSACASA-N 0 3 286.397 1.324 10 10 CDCEHN Oc1cc2c(cc1CN1C[C@@H]3C[C@H]1CS3)[C@@H](O)CO2 ZINC000840169218 789040152 /nfs/dbraw/zinc/04/01/52/789040152.db2.gz UFNHRKPWHUQYOS-KWBADKCTSA-N 0 3 279.361 1.508 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@H]1CS3)[C@@H](O)CO2 ZINC000840169218 789040163 /nfs/dbraw/zinc/04/01/63/789040163.db2.gz UFNHRKPWHUQYOS-KWBADKCTSA-N 0 3 279.361 1.508 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3C[C@H]1CS3)[C@@H](O)CO2 ZINC000840169218 789040174 /nfs/dbraw/zinc/04/01/74/789040174.db2.gz UFNHRKPWHUQYOS-KWBADKCTSA-N 0 3 279.361 1.508 10 10 CDCEHN COC(=O)N(C)CCN(C)Cc1cccc(OC)c1O ZINC000690815422 899777916 /nfs/dbraw/zinc/77/79/16/899777916.db2.gz HQQLBIFEFVUXCW-UHFFFAOYSA-N 0 3 282.340 1.531 10 10 CDCEHN COc1cccc([O-])c1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000827152831 936494966 /nfs/dbraw/zinc/49/49/66/936494966.db2.gz WWKKWFVCIXDTDT-GHMZBOCLSA-N 0 3 265.353 1.850 10 10 CDCEHN CCS(=O)(=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000693502652 920046410 /nfs/dbraw/zinc/04/64/10/920046410.db2.gz PXAUMWPIATVZIM-UHFFFAOYSA-N 0 3 269.366 1.449 10 10 CDCEHN COc1ccc(CNCC2(C)OCCO2)cc1C ZINC000716871516 925579894 /nfs/dbraw/zinc/57/98/94/925579894.db2.gz KWEMGACEPRHWLU-UHFFFAOYSA-N 0 3 251.326 1.856 10 10 CDCEHN CC(C)(C[NH2+]Cc1ccccc1[O-])[C@]1(O)CCOC1 ZINC000842758083 937077725 /nfs/dbraw/zinc/07/77/25/937077725.db2.gz GJPZOXDSDBCJJE-HNNXBMFYSA-N 0 3 265.353 1.659 10 10 CDCEHN CCOc1ccc(N2CCN(C[C@H](O)C3CC3)CC2)cc1 ZINC001325012728 953681894 /nfs/dbraw/zinc/68/18/94/953681894.db2.gz IYYGZIFQKSASMS-KRWDZBQOSA-N 0 3 290.407 1.978 10 10 CDCEHN CCOc1ccc(C[NH2+]CCOCCCO)c([O-])c1 ZINC001323981241 961083286 /nfs/dbraw/zinc/08/32/86/961083286.db2.gz KQRKYSMOTUHHEC-UHFFFAOYSA-N 0 3 269.341 1.280 10 10 CDCEHN COCCN1CCN(Cc2cc(C)ccc2O)C[C@@H]1C ZINC000245717304 361911625 /nfs/dbraw/zinc/91/16/25/361911625.db2.gz HFQSPJRPIHHUNQ-AWEZNQCLSA-N 0 3 278.396 1.853 10 10 CDCEHN C[C@H](NC(N)=[NH2+])c1cc(Br)ccc1[O-] ZINC000306739789 362388943 /nfs/dbraw/zinc/38/89/43/362388943.db2.gz SLARSRQLRZTMSK-YFKPBYRVSA-N 0 3 258.119 1.699 10 10 CDCEHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]2CCCCN12 ZINC000373019236 364554898 /nfs/dbraw/zinc/55/48/98/364554898.db2.gz GEOOLKDKFUZAQZ-STQMWFEESA-N 0 3 260.337 1.635 10 10 CDCEHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000184936371 262033893 /nfs/dbraw/zinc/03/38/93/262033893.db2.gz AISHYYUDQJTLEW-VXGBXAGGSA-N 0 3 282.359 1.903 10 10 CDCEHN CCCN1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001651223018 1171304507 /nfs/dbraw/zinc/30/45/07/1171304507.db2.gz WIFMQKIZCWQLBZ-CYBMUJFWSA-N 0 3 278.352 1.588 10 10 CDCEHN C[C@H](NC1COCCOC1)c1ccc(N(C)C)cc1 ZINC000389110095 789862030 /nfs/dbraw/zinc/86/20/30/789862030.db2.gz KVKZMHFZIXWBAT-LBPRGKRZSA-N 0 3 264.369 1.819 10 10 CDCEHN Cn1nccc1[C@H](CO)N[C@@H]1CCc2cccc(O)c21 ZINC000858435426 790028116 /nfs/dbraw/zinc/02/81/16/790028116.db2.gz IBLYVZLBOBZUCN-NEPJUHHUSA-N 0 3 273.336 1.436 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)c([O-])c1 ZINC000788975287 791477926 /nfs/dbraw/zinc/47/79/26/791477926.db2.gz HXUZLPBVRDRURQ-NSHDSACASA-N 0 3 279.258 1.804 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826846723 792251929 /nfs/dbraw/zinc/25/19/29/792251929.db2.gz YLBSKRJEGYVTSA-LBPRGKRZSA-N 0 3 288.351 1.514 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826846723 792251955 /nfs/dbraw/zinc/25/19/55/792251955.db2.gz YLBSKRJEGYVTSA-LBPRGKRZSA-N 0 3 288.351 1.514 10 10 CDCEHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000812290511 792816219 /nfs/dbraw/zinc/81/62/19/792816219.db2.gz DVJZQJBKDTZEEP-DOMZBBRYSA-N 0 3 293.363 1.817 10 10 CDCEHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000812290511 792816224 /nfs/dbraw/zinc/81/62/24/792816224.db2.gz DVJZQJBKDTZEEP-DOMZBBRYSA-N 0 3 293.363 1.817 10 10 CDCEHN COc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)c(O)c1 ZINC000792900721 794486322 /nfs/dbraw/zinc/48/63/22/794486322.db2.gz VEWTWUHIFXFMOU-LBPRGKRZSA-N 0 3 293.367 1.294 10 10 CDCEHN COC(=O)CC1(NCc2ccc3c(c2)CCO3)CC1 ZINC000846026832 794625225 /nfs/dbraw/zinc/62/52/25/794625225.db2.gz GYKVYNBIZHLRDY-UHFFFAOYSA-N 0 3 261.321 1.807 10 10 CDCEHN CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000831905722 795166159 /nfs/dbraw/zinc/16/61/59/795166159.db2.gz OHJCKDDUHMURAV-OAHLLOKOSA-N 0 3 273.380 1.506 10 10 CDCEHN C[C@@H]([NH2+]CCCn1ccnn1)c1cc(F)ccc1[O-] ZINC000126597996 795594237 /nfs/dbraw/zinc/59/42/37/795594237.db2.gz UKUAHSSPWBAMRX-SNVBAGLBSA-N 0 3 264.304 1.864 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCCC1 ZINC000929977892 795633660 /nfs/dbraw/zinc/63/36/60/795633660.db2.gz YDDAFFUBFYMNMK-AWEZNQCLSA-N 0 3 265.353 1.490 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCCC1 ZINC000929977892 795633694 /nfs/dbraw/zinc/63/36/94/795633694.db2.gz YDDAFFUBFYMNMK-AWEZNQCLSA-N 0 3 265.353 1.490 10 10 CDCEHN COc1ccc(N(C)C[C@H]2CNCCO2)cc1OC ZINC000258848942 795872761 /nfs/dbraw/zinc/87/27/61/795872761.db2.gz FTIYEEASKWCFJT-GFCCVEGCSA-N 0 3 266.341 1.128 10 10 CDCEHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000808430007 796094357 /nfs/dbraw/zinc/09/43/57/796094357.db2.gz AXTSEYMIMYCQHH-AWEZNQCLSA-N 0 3 258.321 1.653 10 10 CDCEHN CNC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001193198455 923519065 /nfs/dbraw/zinc/51/90/65/923519065.db2.gz NGZZYZSYZLAQMR-AWEZNQCLSA-N 0 3 290.411 1.564 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([O-])c1 ZINC001320775059 959383176 /nfs/dbraw/zinc/38/31/76/959383176.db2.gz LJQNBCUTBAFIOT-CQSZACIVSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c([O-])c1 ZINC001320775059 959383192 /nfs/dbraw/zinc/38/31/92/959383192.db2.gz LJQNBCUTBAFIOT-CQSZACIVSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc(O)c(CN[C@H]2CCCNC2=O)c1 ZINC000294959299 199270296 /nfs/dbraw/zinc/27/02/96/199270296.db2.gz DSCGPFYIDAXZSL-LBPRGKRZSA-N 0 3 264.325 1.159 10 10 CDCEHN CN(C(=O)c1cn[n-]c1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000662431926 413011959 /nfs/dbraw/zinc/01/19/59/413011959.db2.gz KCTXWLLOLQIECS-NSHDSACASA-N 0 3 270.336 1.763 10 10 CDCEHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126474508 260353123 /nfs/dbraw/zinc/35/31/23/260353123.db2.gz BHMBECZJAZBNOF-NSHDSACASA-N 0 3 278.352 1.654 10 10 CDCEHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126474508 260353125 /nfs/dbraw/zinc/35/31/25/260353125.db2.gz BHMBECZJAZBNOF-NSHDSACASA-N 0 3 278.352 1.654 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000283814558 263084336 /nfs/dbraw/zinc/08/43/36/263084336.db2.gz BYQCHBJAUALLJJ-ZFWWWQNUSA-N 0 3 281.396 1.948 10 10 CDCEHN COc1cccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000369391854 267239423 /nfs/dbraw/zinc/23/94/23/267239423.db2.gz PTMKJMBMMPQWAE-HNNXBMFYSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1cccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000369391854 267239424 /nfs/dbraw/zinc/23/94/24/267239424.db2.gz PTMKJMBMMPQWAE-HNNXBMFYSA-N 0 3 276.336 1.113 10 10 CDCEHN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000293722384 276235962 /nfs/dbraw/zinc/23/59/62/276235962.db2.gz UCAQZVUONYAASS-GOEBONIOSA-N 0 3 294.370 1.826 10 10 CDCEHN CC[N@H+]1CC[C@H]2OCCN(Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000293722384 276235964 /nfs/dbraw/zinc/23/59/64/276235964.db2.gz UCAQZVUONYAASS-GOEBONIOSA-N 0 3 294.370 1.826 10 10 CDCEHN CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)CO)c1[O-] ZINC000134981474 329662099 /nfs/dbraw/zinc/66/20/99/329662099.db2.gz AYUBOPXQBRDELU-MNOVXSKESA-N 0 3 253.342 1.897 10 10 CDCEHN COC(=O)C(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000380992870 1160725940 /nfs/dbraw/zinc/72/59/40/1160725940.db2.gz GBXBSVVVVWVNGK-UHFFFAOYSA-N 0 3 255.289 1.820 10 10 CDCEHN COc1cccc(CN2CCSC[C@@H]2CCO)c1O ZINC000770305001 575437659 /nfs/dbraw/zinc/43/76/59/575437659.db2.gz PPQNIUXMCRJCFP-LBPRGKRZSA-N 0 3 283.393 1.701 10 10 CDCEHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000768193722 576263714 /nfs/dbraw/zinc/26/37/14/576263714.db2.gz JZRISGYBDFEKDV-UHFFFAOYSA-N 0 3 292.379 1.701 10 10 CDCEHN COC(=O)[C@H]1CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000768444256 576283484 /nfs/dbraw/zinc/28/34/84/576283484.db2.gz WGHHOTBLFPCWND-NSHDSACASA-N 0 3 279.336 1.704 10 10 CDCEHN CC(=O)NCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000741735420 576570307 /nfs/dbraw/zinc/57/03/07/576570307.db2.gz JHQQCPQGZORNNH-UHFFFAOYSA-N 0 3 291.395 1.091 10 10 CDCEHN [O-]c1c(F)cccc1C[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000903973083 626168638 /nfs/dbraw/zinc/16/86/38/626168638.db2.gz NXOJYRWOVFDVMG-ZDUSSCGKSA-N 0 3 294.370 1.780 10 10 CDCEHN [O-]c1c(F)cccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973083 626168641 /nfs/dbraw/zinc/16/86/41/626168641.db2.gz NXOJYRWOVFDVMG-ZDUSSCGKSA-N 0 3 294.370 1.780 10 10 CDCEHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[N@H+](C)C1CC1 ZINC000916851367 632090329 /nfs/dbraw/zinc/09/03/29/632090329.db2.gz NYYPQNBKKAKIKT-SNVBAGLBSA-N 0 3 295.358 1.813 10 10 CDCEHN C[C@H](CNC(=O)NCc1c([O-])cccc1F)[N@@H+](C)C1CC1 ZINC000916851367 632090334 /nfs/dbraw/zinc/09/03/34/632090334.db2.gz NYYPQNBKKAKIKT-SNVBAGLBSA-N 0 3 295.358 1.813 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824654989 796490967 /nfs/dbraw/zinc/49/09/67/796490967.db2.gz SVCOQMYYPGTHIO-DFBGVHRSSA-N 0 3 295.354 1.893 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824654989 796490970 /nfs/dbraw/zinc/49/09/70/796490970.db2.gz SVCOQMYYPGTHIO-DFBGVHRSSA-N 0 3 295.354 1.893 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCC1 ZINC000929975314 796643802 /nfs/dbraw/zinc/64/38/02/796643802.db2.gz FFIONNAEXRAVHQ-CYBMUJFWSA-N 0 3 251.326 1.100 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCC1 ZINC000929975314 796643804 /nfs/dbraw/zinc/64/38/04/796643804.db2.gz FFIONNAEXRAVHQ-CYBMUJFWSA-N 0 3 251.326 1.100 10 10 CDCEHN COC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000178854973 796954130 /nfs/dbraw/zinc/95/41/30/796954130.db2.gz QTTMJJMZDYVJSQ-AWEZNQCLSA-N 0 3 291.347 1.995 10 10 CDCEHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000835049427 797430492 /nfs/dbraw/zinc/43/04/92/797430492.db2.gz IPQBGJYPHDOLBW-ZFDPJTLLSA-N 0 3 293.386 1.830 10 10 CDCEHN C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000183564183 797784463 /nfs/dbraw/zinc/78/44/63/797784463.db2.gz SRKMSWFBHRVSSL-SWLSCSKDSA-N 0 3 265.353 1.832 10 10 CDCEHN COc1cc(Cl)cc(CN[C@H]2CCNC2=O)c1O ZINC000693955049 897826894 /nfs/dbraw/zinc/82/68/94/897826894.db2.gz PNALNRVJKMJELQ-VIFPVBQESA-N 0 3 270.716 1.032 10 10 CDCEHN CCC[N@@H+]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923319978 923728910 /nfs/dbraw/zinc/72/89/10/923728910.db2.gz ROECFPYSTNVNRO-NSHDSACASA-N 0 3 295.358 1.815 10 10 CDCEHN CCC[N@H+]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923319978 923728921 /nfs/dbraw/zinc/72/89/21/923728921.db2.gz ROECFPYSTNVNRO-NSHDSACASA-N 0 3 295.358 1.815 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@H]2COCCN2C)c([O-])c1 ZINC000858276821 928830273 /nfs/dbraw/zinc/83/02/73/928830273.db2.gz ZEZFMSGMPCYPDO-ZDUSSCGKSA-N 0 3 280.368 1.211 10 10 CDCEHN C[C@H]1CCN(CC(=O)N(C)Cc2ccccc2O)C1 ZINC000816889174 930380070 /nfs/dbraw/zinc/38/00/70/930380070.db2.gz OQENTXWPBQXUAR-LBPRGKRZSA-N 0 3 262.353 1.692 10 10 CDCEHN C[C@@H](NCc1ccc2c(c1)CCO2)C1(S(C)(=O)=O)CC1 ZINC000796490810 935298918 /nfs/dbraw/zinc/29/89/18/935298918.db2.gz OEZMSJKSWNALKW-LLVKDONJSA-N 0 3 295.404 1.677 10 10 CDCEHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CC[C@H](C)C1 ZINC000847696040 967967326 /nfs/dbraw/zinc/96/73/26/967967326.db2.gz KLNLYJFELFPNLV-NWDGAFQWSA-N 0 3 292.379 1.487 10 10 CDCEHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H](O)C(F)F ZINC000295121346 199357032 /nfs/dbraw/zinc/35/70/32/199357032.db2.gz WPKOBGMLNPNJEJ-BXKDBHETSA-N 0 3 275.295 1.895 10 10 CDCEHN COC[C@@](C)(CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180829607 357289837 /nfs/dbraw/zinc/28/98/37/357289837.db2.gz XAFBKALWTGSORJ-CYBMUJFWSA-N 0 3 257.305 1.408 10 10 CDCEHN COC[C@@](C)(CCO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000182560914 391236941 /nfs/dbraw/zinc/23/69/41/391236941.db2.gz LJJRAKXHYVQFBL-CQSZACIVSA-N 0 3 269.341 1.278 10 10 CDCEHN Cn1nccc1CNCc1cc2c(cc1O)OCO2 ZINC000071138207 176036335 /nfs/dbraw/zinc/03/63/35/176036335.db2.gz JEMLLFNUJSWAOA-UHFFFAOYSA-N 0 3 261.281 1.144 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)c([O-])c1 ZINC000185994266 262075201 /nfs/dbraw/zinc/07/52/01/262075201.db2.gz GRAKMQUMFLNHEN-RYUDHWBXSA-N 0 3 272.352 1.958 10 10 CDCEHN C[C@H]1CCOCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774661114 575225382 /nfs/dbraw/zinc/22/53/82/575225382.db2.gz ULFCIWUPISHFGV-IINYFYTJSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@H]1CCOCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774661114 575225384 /nfs/dbraw/zinc/22/53/84/575225384.db2.gz ULFCIWUPISHFGV-IINYFYTJSA-N 0 3 279.336 1.429 10 10 CDCEHN COCC1(O)CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000758371955 577102580 /nfs/dbraw/zinc/10/25/80/577102580.db2.gz NFDSGMOJWCGQNF-UHFFFAOYSA-N 0 3 295.379 1.683 10 10 CDCEHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000898833069 621892081 /nfs/dbraw/zinc/89/20/81/621892081.db2.gz PQAMKQLXUCEMCB-QWHCGFSZSA-N 0 3 290.363 1.700 10 10 CDCEHN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CNCCC1(F)F ZINC000903954230 626166694 /nfs/dbraw/zinc/16/66/94/626166694.db2.gz AWORZEFZNLWCIN-SNVBAGLBSA-N 0 3 274.286 1.866 10 10 CDCEHN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN(C)C1 ZINC001638824410 1166877007 /nfs/dbraw/zinc/87/70/07/1166877007.db2.gz PTKSMARRRFTULQ-CYBMUJFWSA-N 0 3 292.379 1.583 10 10 CDCEHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1c(O)cccc1O ZINC001645363402 1167397602 /nfs/dbraw/zinc/39/76/02/1167397602.db2.gz UBXKNVQXLIJZHV-QWRGUYRKSA-N 0 3 278.352 1.587 10 10 CDCEHN CN(C(=O)c1cccc(O)c1O)[C@H]1CN2CCC1CC2 ZINC000312617391 1186700631 /nfs/dbraw/zinc/70/06/31/1186700631.db2.gz GKITZXBQSXLEEG-LBPRGKRZSA-N 0 3 276.336 1.264 10 10 CDCEHN Cc1cc(CN2CCN(C)[C@@H](CO)C2)ccc1N(C)C ZINC000931398705 811846271 /nfs/dbraw/zinc/84/62/71/811846271.db2.gz DJQNKTBDASPAKN-OAHLLOKOSA-N 0 3 277.412 1.169 10 10 CDCEHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988585 811857386 /nfs/dbraw/zinc/85/73/86/811857386.db2.gz UEVWDSFQUIPSFY-CMPLNLGQSA-N 0 3 250.342 1.943 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1[O-] ZINC000862426755 813061939 /nfs/dbraw/zinc/06/19/39/813061939.db2.gz NHVNTBJVDXWRQQ-CQSZACIVSA-N 0 3 285.771 1.937 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1[O-] ZINC000862426755 813061951 /nfs/dbraw/zinc/06/19/51/813061951.db2.gz NHVNTBJVDXWRQQ-CQSZACIVSA-N 0 3 285.771 1.937 10 10 CDCEHN CCNC(=O)C1CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840952538 813088795 /nfs/dbraw/zinc/08/87/95/813088795.db2.gz DOLKAZLWFIRUES-UHFFFAOYSA-N 0 3 275.396 1.629 10 10 CDCEHN CC(C)C[N@H+](C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000846291779 813332564 /nfs/dbraw/zinc/33/25/64/813332564.db2.gz RSMAQVVDPKYQQG-UHFFFAOYSA-N 0 3 280.368 1.806 10 10 CDCEHN CC(C)C[N@@H+](C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000846291779 813332574 /nfs/dbraw/zinc/33/25/74/813332574.db2.gz RSMAQVVDPKYQQG-UHFFFAOYSA-N 0 3 280.368 1.806 10 10 CDCEHN COc1ccc(CNC(=O)CN2CC[C@@H](C)C2)c(O)c1 ZINC000848024064 813390119 /nfs/dbraw/zinc/39/01/19/813390119.db2.gz VPBKAEPEPRXANR-LLVKDONJSA-N 0 3 278.352 1.359 10 10 CDCEHN O=S(=O)(CC[NH2+]Cc1ccccc1[O-])CC(F)(F)F ZINC000850364036 817979665 /nfs/dbraw/zinc/97/96/65/817979665.db2.gz PLAQHLBUUXHBKF-UHFFFAOYSA-N 0 3 297.298 1.459 10 10 CDCEHN O=S(=O)(CCNCc1ccccc1O)CC(F)(F)F ZINC000850364036 817979676 /nfs/dbraw/zinc/97/96/76/817979676.db2.gz PLAQHLBUUXHBKF-UHFFFAOYSA-N 0 3 297.298 1.459 10 10 CDCEHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])CCN1C1CCC1 ZINC000708705872 923193577 /nfs/dbraw/zinc/19/35/77/923193577.db2.gz WGTQTWSNIXCEHK-CYBMUJFWSA-N 0 3 260.337 1.635 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(CO)C2)c1[O-] ZINC000839152874 936906850 /nfs/dbraw/zinc/90/68/50/936906850.db2.gz CCEAVZXNPIPILQ-AWEZNQCLSA-N 0 3 285.771 1.673 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(CO)C2)c1[O-] ZINC000839152874 936906852 /nfs/dbraw/zinc/90/68/52/936906852.db2.gz CCEAVZXNPIPILQ-AWEZNQCLSA-N 0 3 285.771 1.673 10 10 CDCEHN Cc1cc(Cl)cc(CN2CCC[C@@](O)(CO)C2)c1O ZINC000839152874 936906853 /nfs/dbraw/zinc/90/68/53/936906853.db2.gz CCEAVZXNPIPILQ-AWEZNQCLSA-N 0 3 285.771 1.673 10 10 CDCEHN COc1ccc(N2CC[C@H](NCc3cncnc3)C2)cc1 ZINC000850345742 927418494 /nfs/dbraw/zinc/41/84/94/927418494.db2.gz JKNNDMDZTXJQTN-AWEZNQCLSA-N 0 3 284.363 1.854 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c([O-])c1 ZINC000404171885 940955370 /nfs/dbraw/zinc/95/53/70/940955370.db2.gz OUBOODHCEYWCMG-DOMZBBRYSA-N 0 3 265.353 1.893 10 10 CDCEHN Cc1cc(O)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1C ZINC000245748652 361914957 /nfs/dbraw/zinc/91/49/57/361914957.db2.gz NHSKMTACWLYMMY-CABCVRRESA-N 0 3 292.423 1.896 10 10 CDCEHN COc1cc([O-])c(C[NH2+]C(C)(C)[C@@H](C)O)cc1OC ZINC000271770247 364997838 /nfs/dbraw/zinc/99/78/38/364997838.db2.gz BMRLLZZTVQTXIE-SECBINFHSA-N 0 3 269.341 1.658 10 10 CDCEHN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000284853955 368555327 /nfs/dbraw/zinc/55/53/27/368555327.db2.gz CVLVEKBXONYAJO-TZMCWYRMSA-N 0 3 285.359 1.779 10 10 CDCEHN O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(O)c1[O-] ZINC000376594697 391242975 /nfs/dbraw/zinc/24/29/75/391242975.db2.gz GTNNFDIGUUOKHK-UHFFFAOYSA-N 0 3 290.363 1.845 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000527955568 393005236 /nfs/dbraw/zinc/00/52/36/393005236.db2.gz MQJKLEWMAFVFSY-FZZIBODNSA-N 0 3 269.316 1.722 10 10 CDCEHN C[C@@H](N[C@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000769849679 575391773 /nfs/dbraw/zinc/39/17/73/575391773.db2.gz BGLGOUZIJLZRMN-DOMZBBRYSA-N 0 3 289.379 1.062 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C1(CCO)CCOCC1)OCO2 ZINC000761991856 576610852 /nfs/dbraw/zinc/61/08/52/576610852.db2.gz CXSFHUJOFGUEDJ-UHFFFAOYSA-N 0 3 295.335 1.142 10 10 CDCEHN C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1[O-] ZINC000895131343 619330149 /nfs/dbraw/zinc/33/01/49/619330149.db2.gz WZUCLEUFFLUDHW-NSHDSACASA-N 0 3 273.336 1.970 10 10 CDCEHN C[NH+](C)CCCNC(=S)NCc1c([O-])cccc1F ZINC000905660125 626905359 /nfs/dbraw/zinc/90/53/59/626905359.db2.gz DGCCFLMMSKRMRS-UHFFFAOYSA-N 0 3 285.388 1.447 10 10 CDCEHN Cc1cc(N(C)C)ccc1CNC(=O)COC1(C)CNC1 ZINC000844186787 818443351 /nfs/dbraw/zinc/44/33/51/818443351.db2.gz UUXAJJYGGLLEKN-UHFFFAOYSA-N 0 3 291.395 1.056 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000789767778 818447321 /nfs/dbraw/zinc/44/73/21/818447321.db2.gz KMTVYQDFNIZQKJ-HNNXBMFYSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000789767778 818447331 /nfs/dbraw/zinc/44/73/31/818447331.db2.gz KMTVYQDFNIZQKJ-HNNXBMFYSA-N 0 3 276.336 1.113 10 10 CDCEHN CC(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)N(C)C ZINC000871202880 818493821 /nfs/dbraw/zinc/49/38/21/818493821.db2.gz OBIMUGAIDHQUKT-AWEZNQCLSA-N 0 3 262.353 1.821 10 10 CDCEHN NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779001966 818595290 /nfs/dbraw/zinc/59/52/90/818595290.db2.gz GCWHAHQBNCBTGY-GFCCVEGCSA-N 0 3 266.316 1.761 10 10 CDCEHN NC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779001966 818595298 /nfs/dbraw/zinc/59/52/98/818595298.db2.gz GCWHAHQBNCBTGY-GFCCVEGCSA-N 0 3 266.316 1.761 10 10 CDCEHN CCN(CC)Cc1ccc(C(=O)OCC(=O)C(C)=O)cc1 ZINC000808548081 819044273 /nfs/dbraw/zinc/04/42/73/819044273.db2.gz WLNCVANHQYVUHR-UHFFFAOYSA-N 0 3 291.347 1.843 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000846047425 819829230 /nfs/dbraw/zinc/82/92/30/819829230.db2.gz YAXSCHDEJLFTAT-WKFQBHICSA-N 0 3 284.743 1.408 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN1C ZINC000858308130 821868372 /nfs/dbraw/zinc/86/83/72/821868372.db2.gz ZFJHRUUIZQDVOY-NSHDSACASA-N 0 3 250.342 1.585 10 10 CDCEHN CN1C[C@H](CC[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000723590205 896030302 /nfs/dbraw/zinc/03/03/02/896030302.db2.gz ULRSJAWJHSSQOE-SNVBAGLBSA-N 0 3 266.316 1.489 10 10 CDCEHN COc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c([O-])c1 ZINC000801735964 936006629 /nfs/dbraw/zinc/00/66/29/936006629.db2.gz UMXFDMJBIUVFNF-CYBMUJFWSA-N 0 3 278.352 1.548 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)C[C@H]2C)cc1Cl ZINC001328759175 955459745 /nfs/dbraw/zinc/45/97/45/955459745.db2.gz MKWYYUSNMUQHPP-GFCCVEGCSA-N 0 3 298.814 1.852 10 10 CDCEHN CC[C@H](C(=O)NCc1cc(O)ccc1O)N(C)C ZINC001471662285 970459901 /nfs/dbraw/zinc/45/99/01/970459901.db2.gz XNORUBJYDGNQFR-LLVKDONJSA-N 0 3 252.314 1.054 10 10 CDCEHN Fc1cc(OC[C@H]2CCCO2)ccc1N1CCNCC1 ZINC000087439257 345703795 /nfs/dbraw/zinc/70/37/95/345703795.db2.gz YJLZSBXKDGCSFJ-CYBMUJFWSA-N 0 3 280.343 1.793 10 10 CDCEHN CCOCc1cc(CN[C@H]2CCCNC2=O)ccc1OC ZINC000295138233 199366906 /nfs/dbraw/zinc/36/69/06/199366906.db2.gz ZEDYWMACNJRLKU-AWEZNQCLSA-N 0 3 292.379 1.600 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091666742 360245014 /nfs/dbraw/zinc/24/50/14/360245014.db2.gz ZTFMMQODFNDFOR-NEPJUHHUSA-N 0 3 250.342 1.373 10 10 CDCEHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1[O-] ZINC000282510047 364137718 /nfs/dbraw/zinc/13/77/18/364137718.db2.gz XJDIGYDNCXENDQ-CMPLNLGQSA-N 0 3 278.352 1.548 10 10 CDCEHN CN1CCO[C@@H]2CN(Cc3cc4c(cc3O)CCC4)C[C@H]21 ZINC000230226773 375542741 /nfs/dbraw/zinc/54/27/41/375542741.db2.gz YRYGUUHDNRCLRL-NVXWUHKLSA-N 0 3 288.391 1.396 10 10 CDCEHN CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000527958855 390260458 /nfs/dbraw/zinc/26/04/58/390260458.db2.gz XEMVCNNGJPTKTN-CFVMTHIKSA-N 0 3 265.353 1.973 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCN2C)c1 ZINC000224570140 390896872 /nfs/dbraw/zinc/89/68/72/390896872.db2.gz BBMTYHLWHWMDFD-LBPRGKRZSA-N 0 3 250.342 1.585 10 10 CDCEHN C[C@H]1Cc2cc(N3CCNCC3)ccc2N(C)C1=O ZINC000071476986 397905943 /nfs/dbraw/zinc/90/59/43/397905943.db2.gz UHEPMITZEZXYIN-NSHDSACASA-N 0 3 259.353 1.251 10 10 CDCEHN c1cc(CNC[C@H]2CN(C3CC3)CCO2)cc2c1OCC2 ZINC000069920106 175862331 /nfs/dbraw/zinc/86/23/31/175862331.db2.gz IPKDHLCFPMWKAD-INIZCTEOSA-N 0 3 288.391 1.574 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000051994810 260210055 /nfs/dbraw/zinc/21/00/55/260210055.db2.gz OFUUQZOZBPWCMX-GXTWGEPZSA-N 0 3 251.326 1.794 10 10 CDCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000186111225 262080317 /nfs/dbraw/zinc/08/03/17/262080317.db2.gz RQUUDOWWVSSMRC-CMPLNLGQSA-N 0 3 295.358 1.986 10 10 CDCEHN COc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000363264075 267082520 /nfs/dbraw/zinc/08/25/20/267082520.db2.gz HTOXEAUYYVSIGK-UHTWSYAYSA-N 0 3 290.363 1.500 10 10 CDCEHN C[C@@H]1[C@@H](NC(=O)NCc2c([O-])cccc2F)CC[N@@H+]1C ZINC000925346024 633192662 /nfs/dbraw/zinc/19/26/62/633192662.db2.gz BBHYKLHNALNHEX-SKDRFNHKSA-N 0 3 281.331 1.423 10 10 CDCEHN C[C@@H]1[C@@H](NC(=O)NCc2c([O-])cccc2F)CC[N@H+]1C ZINC000925346024 633192668 /nfs/dbraw/zinc/19/26/68/633192668.db2.gz BBHYKLHNALNHEX-SKDRFNHKSA-N 0 3 281.331 1.423 10 10 CDCEHN C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1O ZINC001648889837 1158591664 /nfs/dbraw/zinc/59/16/64/1158591664.db2.gz OKTYAOKVYARVTI-NWDGAFQWSA-N 0 3 262.353 1.911 10 10 CDCEHN O[C@H]1COC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000323869549 1186805378 /nfs/dbraw/zinc/80/53/78/1186805378.db2.gz SVXOKGRUYQLTCM-CVEARBPZSA-N 0 3 276.380 1.526 10 10 CDCEHN CN(Cc1ccccc1O)C(=O)C(N)C(F)(F)F ZINC000705556479 822713652 /nfs/dbraw/zinc/71/36/52/822713652.db2.gz PGNWDRRNLANJKH-SECBINFHSA-N 0 3 262.231 1.240 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN1CC(C)(C(N)=O)C1 ZINC000843415968 823843232 /nfs/dbraw/zinc/84/32/32/823843232.db2.gz OAFWDCXOJRCMJC-UHFFFAOYSA-N 0 3 261.369 1.368 10 10 CDCEHN CN1C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000723600662 823917381 /nfs/dbraw/zinc/91/73/81/823917381.db2.gz JZMCXYYDPXTRGV-JQWIXIFHSA-N 0 3 260.337 1.447 10 10 CDCEHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H](C)[C@H]1O ZINC000827151804 824086178 /nfs/dbraw/zinc/08/61/78/824086178.db2.gz KCNWBGCAIJEZCA-MSRIBSCDSA-N 0 3 253.317 1.980 10 10 CDCEHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H](C)[C@H]1O ZINC000827151804 824086183 /nfs/dbraw/zinc/08/61/83/824086183.db2.gz KCNWBGCAIJEZCA-MSRIBSCDSA-N 0 3 253.317 1.980 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H](O)C(F)F)CC2 ZINC000716769379 824239696 /nfs/dbraw/zinc/23/96/96/824239696.db2.gz KLXZZPQIQHBAQQ-ONGXEEELSA-N 0 3 257.280 1.985 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000858331086 824891177 /nfs/dbraw/zinc/89/11/77/824891177.db2.gz PCGUKPILSYIDAN-PHIMTYICSA-N 0 3 251.326 1.915 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)[C@H](C)C2)cc1C ZINC000190244451 826351506 /nfs/dbraw/zinc/35/15/06/826351506.db2.gz RWTLRDDSAJKPBS-CQSZACIVSA-N 0 3 278.396 1.507 10 10 CDCEHN C[C@@H](NCC1([NH3+])CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863541330 826351839 /nfs/dbraw/zinc/35/18/39/826351839.db2.gz KPXMTFWKENOWIM-SNVBAGLBSA-N 0 3 295.339 1.459 10 10 CDCEHN COCC[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000052808347 826435391 /nfs/dbraw/zinc/43/53/91/826435391.db2.gz SMUVJDSLLNFZEG-AWEZNQCLSA-N 0 3 279.384 1.075 10 10 CDCEHN Cc1cc(C)c(O)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000844745040 826514242 /nfs/dbraw/zinc/51/42/42/826514242.db2.gz VSUCWHWMILGEII-LXIYXOSZSA-N 0 3 265.378 1.714 10 10 CDCEHN CCON(CC)C(=O)CNCc1ccccc1O ZINC000858219608 827886404 /nfs/dbraw/zinc/88/64/04/827886404.db2.gz UCKONELZPIVKMJ-UHFFFAOYSA-N 0 3 252.314 1.282 10 10 CDCEHN CN(C)C(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027910 828029614 /nfs/dbraw/zinc/02/96/14/828029614.db2.gz QKQIEUUUMAPECN-UHFFFAOYSA-N 0 3 272.146 1.741 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CCC[C@@](O)(CO)C2)cc1 ZINC000839156691 936906487 /nfs/dbraw/zinc/90/64/87/936906487.db2.gz LUZUWQRGXFCDBV-RCFWFJCLSA-N 0 3 290.407 1.585 10 10 CDCEHN O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000126320723 932209004 /nfs/dbraw/zinc/20/90/04/932209004.db2.gz SCVJWNFNUPOUIW-VXGBXAGGSA-N 0 3 276.336 1.454 10 10 CDCEHN O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000126320723 932209009 /nfs/dbraw/zinc/20/90/09/932209009.db2.gz SCVJWNFNUPOUIW-VXGBXAGGSA-N 0 3 276.336 1.454 10 10 CDCEHN NC(=O)N=Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001539532390 967098769 /nfs/dbraw/zinc/09/87/69/967098769.db2.gz UEQXOCPXVOYMIY-UHFFFAOYSA-N 0 3 289.339 1.675 10 10 CDCEHN CC(C)N1CCC[C@@](O)(c2ccc(O)c(O)c2)C1 ZINC000013451618 356670842 /nfs/dbraw/zinc/67/08/42/356670842.db2.gz MBUKMBGVKHZMRE-AWEZNQCLSA-N 0 3 251.326 1.790 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271211477 364976305 /nfs/dbraw/zinc/97/63/05/364976305.db2.gz HSEWTHUAKFGPDC-UHFFFAOYSA-N 0 3 283.393 1.649 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271211477 364976307 /nfs/dbraw/zinc/97/63/07/364976307.db2.gz HSEWTHUAKFGPDC-UHFFFAOYSA-N 0 3 283.393 1.649 10 10 CDCEHN [O-]c1ccc(F)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530176633 368147215 /nfs/dbraw/zinc/14/72/15/368147215.db2.gz DRUWFEHCIONGKU-CYBMUJFWSA-N 0 3 250.317 1.906 10 10 CDCEHN CCC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000183418683 391264946 /nfs/dbraw/zinc/26/49/46/391264946.db2.gz ZQIPQDPSWBHDCS-AAEUAGOBSA-N 0 3 294.395 1.875 10 10 CDCEHN COc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)c([O-])c1 ZINC000038060651 174071721 /nfs/dbraw/zinc/07/17/21/174071721.db2.gz AUOLSJINCWOEGE-ZYHUDNBSSA-N 0 3 267.325 1.467 10 10 CDCEHN CN1CCO[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297128987 277119910 /nfs/dbraw/zinc/11/99/10/277119910.db2.gz YVKZOIOVBPCQLQ-STQMWFEESA-N 0 3 262.353 1.300 10 10 CDCEHN COc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529683496 281354844 /nfs/dbraw/zinc/35/48/44/281354844.db2.gz ZRHDUKZHNVHFQF-LAPQFRIASA-N 0 3 295.404 1.886 10 10 CDCEHN COC(=O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000265737127 523951099 /nfs/dbraw/zinc/95/10/99/523951099.db2.gz SZFXLKOSFCFUEC-JTQLQIEISA-N 0 3 293.319 1.506 10 10 CDCEHN C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1[NH+](C)C ZINC000252765018 525003330 /nfs/dbraw/zinc/00/33/30/525003330.db2.gz GGTJJTDLWZMQGO-ZWNOBZJWSA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1N(C)C ZINC000252765018 525003334 /nfs/dbraw/zinc/00/33/34/525003334.db2.gz GGTJJTDLWZMQGO-ZWNOBZJWSA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1N(C)C ZINC000252765018 525003346 /nfs/dbraw/zinc/00/33/46/525003346.db2.gz GGTJJTDLWZMQGO-ZWNOBZJWSA-N 0 3 252.333 1.913 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]CCc2nnnn2C)c([O-])c1C ZINC000756675888 576999622 /nfs/dbraw/zinc/99/96/22/576999622.db2.gz HNEUWBCHSMNWFG-NSHDSACASA-N 0 3 275.356 1.426 10 10 CDCEHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000905741110 626956028 /nfs/dbraw/zinc/95/60/28/626956028.db2.gz CDICOTDQMXARLH-HZMBPMFUSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCO1 ZINC000905741110 626956029 /nfs/dbraw/zinc/95/60/29/626956029.db2.gz CDICOTDQMXARLH-HZMBPMFUSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000905741110 626956031 /nfs/dbraw/zinc/95/60/31/626956031.db2.gz CDICOTDQMXARLH-HZMBPMFUSA-N 0 3 279.336 1.429 10 10 CDCEHN CC[C@@H](C(=O)NCc1cc(O)ccc1O)N(C)C ZINC001593873715 1174173376 /nfs/dbraw/zinc/17/33/76/1174173376.db2.gz XNORUBJYDGNQFR-NSHDSACASA-N 0 3 252.314 1.054 10 10 CDCEHN COc1ccc(CNC/C=C\CNC(C)=O)cc1C ZINC001732814664 1183135234 /nfs/dbraw/zinc/13/52/34/1183135234.db2.gz GJKNKJJQFXXKCC-PLNGDYQASA-N 0 3 262.353 1.786 10 10 CDCEHN Cc1cc(C)c(O)c(CN2CCN(c3nccnn3)CC2)c1 ZINC000863271958 828851702 /nfs/dbraw/zinc/85/17/02/828851702.db2.gz WSQHELBGZABEAY-UHFFFAOYSA-N 0 3 299.378 1.516 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724581084 828889493 /nfs/dbraw/zinc/88/94/93/828889493.db2.gz AHSDMCCBRBIRDL-QKCSRTOESA-N 0 3 267.300 1.425 10 10 CDCEHN CN(C)c1cc(F)c(CNC[C@H]2COCCN2C)cc1F ZINC000858278463 829340211 /nfs/dbraw/zinc/34/02/11/829340211.db2.gz ZWDUDQHBGBIJRR-LBPRGKRZSA-N 0 3 299.365 1.451 10 10 CDCEHN CC[C@@H](C(=O)NCc1c(O)cccc1F)N(C)C ZINC000928705301 829829998 /nfs/dbraw/zinc/82/99/98/829829998.db2.gz JBUFGDCCSAEGCF-NSHDSACASA-N 0 3 254.305 1.488 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000850482890 833564339 /nfs/dbraw/zinc/56/43/39/833564339.db2.gz VSBKJQDFDKIDBM-JEZHCXPESA-N 0 3 264.300 1.558 10 10 CDCEHN CCOc1cccc(CN2CC[C@](O)(C(F)F)C2)c1O ZINC000824726454 830002359 /nfs/dbraw/zinc/00/23/59/830002359.db2.gz MOMPJJRKMGYJLM-CQSZACIVSA-N 0 3 287.306 1.993 10 10 CDCEHN C[C@H](NCC1([NH3+])CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863541329 832294364 /nfs/dbraw/zinc/29/43/64/832294364.db2.gz KPXMTFWKENOWIM-JTQLQIEISA-N 0 3 295.339 1.459 10 10 CDCEHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N(C)C)cc1C ZINC000826957720 832350152 /nfs/dbraw/zinc/35/01/52/832350152.db2.gz FGSVSULGLOQOKK-LSDHHAIUSA-N 0 3 292.379 1.481 10 10 CDCEHN CCOc1ccc(C[NH2+][C@](C)(CO)COC)c([O-])c1 ZINC000777483575 833474950 /nfs/dbraw/zinc/47/49/50/833474950.db2.gz UQLOZWBXGZOYAZ-CQSZACIVSA-N 0 3 269.341 1.278 10 10 CDCEHN [O-]c1ccc(Br)cc1CNC1=[NH+]CCCCN1 ZINC000849216508 834853991 /nfs/dbraw/zinc/85/39/91/834853991.db2.gz KFBOWYSKYTYMCW-UHFFFAOYSA-N 0 3 298.184 1.984 10 10 CDCEHN CN(C)c1ccc(CN2CCOC3(CNC3)C2)cc1F ZINC000853249513 835378068 /nfs/dbraw/zinc/37/80/68/835378068.db2.gz QUAGLIMFFJDCDZ-UHFFFAOYSA-N 0 3 279.359 1.066 10 10 CDCEHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C(=O)NC ZINC000697858689 937287649 /nfs/dbraw/zinc/28/76/49/937287649.db2.gz MREGWDACKRPFAE-PWSUYJOCSA-N 0 3 250.342 1.876 10 10 CDCEHN COC(=O)N(C)CCN(C)Cc1cc2c(cc1O)OCO2 ZINC001118595019 937645431 /nfs/dbraw/zinc/64/54/31/937645431.db2.gz INEAQDICYDWBLZ-UHFFFAOYSA-N 0 3 296.323 1.251 10 10 CDCEHN CC[NH+](CC)CCCCNC(=O)c1cccc(O)c1[O-] ZINC001294336187 954490931 /nfs/dbraw/zinc/49/09/31/954490931.db2.gz FJSDFTBFFVGQMP-UHFFFAOYSA-N 0 3 280.368 1.950 10 10 CDCEHN CN(CC(=O)NCc1cccc(O)c1O)CC(C)(C)C ZINC001528771708 968926504 /nfs/dbraw/zinc/92/65/04/968926504.db2.gz VFUVQXPHVKZGOO-UHFFFAOYSA-N 0 3 280.368 1.692 10 10 CDCEHN C[C@@H](CO)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000123218715 360269999 /nfs/dbraw/zinc/26/99/99/360269999.db2.gz UHPHWGMFAWDZJY-IUCAKERBSA-N 0 3 253.298 1.227 10 10 CDCEHN CC[C@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000123462575 360288877 /nfs/dbraw/zinc/28/88/77/360288877.db2.gz BCYNZDZPGGCIDS-KRWDZBQOSA-N 0 3 291.439 1.641 10 10 CDCEHN Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c([O-])c1O ZINC000272733405 365371090 /nfs/dbraw/zinc/37/10/90/365371090.db2.gz HGAAMMWDJXFEDB-LLVKDONJSA-N 0 3 278.352 1.572 10 10 CDCEHN COc1cccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284184810 368504143 /nfs/dbraw/zinc/50/41/43/368504143.db2.gz XVNZOVDBYAXNBM-GXTWGEPZSA-N 0 3 297.395 1.648 10 10 CDCEHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000284169781 368498793 /nfs/dbraw/zinc/49/87/93/368498793.db2.gz WWZIFJZBWJJVFW-ZBFHGGJFSA-N 0 3 293.407 1.869 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000527954353 393005536 /nfs/dbraw/zinc/00/55/36/393005536.db2.gz JGMACNKGPBAJQJ-COLVAYQJSA-N 0 3 281.352 1.591 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)CC2 ZINC000527956855 393005946 /nfs/dbraw/zinc/00/59/46/393005946.db2.gz YBVWWCVTSVDBQU-BNOWGMLFSA-N 0 3 263.337 1.509 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(O)ccc1[O-] ZINC000038060266 174071020 /nfs/dbraw/zinc/07/10/20/174071020.db2.gz CCDHZQYTZXVMBW-GXSJLCMTSA-N 0 3 253.298 1.164 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]CC2COC2)c1[O-] ZINC000529676915 281353817 /nfs/dbraw/zinc/35/38/17/281353817.db2.gz XNFYWNBGAZXQHZ-UHFFFAOYSA-N 0 3 257.717 1.790 10 10 CDCEHN COc1ccc(O)c(CN2CCC(n3cncn3)CC2)c1 ZINC000179902376 329213200 /nfs/dbraw/zinc/21/32/00/329213200.db2.gz CCCNYSKXKIAWRW-UHFFFAOYSA-N 0 3 288.351 1.829 10 10 CDCEHN COc1ccc([O-])c(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000179902376 329213202 /nfs/dbraw/zinc/21/32/02/329213202.db2.gz CCCNYSKXKIAWRW-UHFFFAOYSA-N 0 3 288.351 1.829 10 10 CDCEHN CCCNC(=O)CNCc1cc(OC)ccc1O ZINC000036780781 519880282 /nfs/dbraw/zinc/88/02/82/519880282.db2.gz VFFQXRZXCNVYKQ-UHFFFAOYSA-N 0 3 252.314 1.017 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000084059362 524756136 /nfs/dbraw/zinc/75/61/36/524756136.db2.gz YNUIKLPBMFVUEY-NSHDSACASA-N 0 3 264.325 1.111 10 10 CDCEHN COc1cccc(O)c1CN1CCN(C2CC2)CC1 ZINC000768243012 576266800 /nfs/dbraw/zinc/26/68/00/576266800.db2.gz GAHOWPJVHWWHBJ-UHFFFAOYSA-N 0 3 262.353 1.681 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCO1 ZINC000768448622 576284828 /nfs/dbraw/zinc/28/48/28/576284828.db2.gz UDDFORXWQWLNOV-FZMZJTMJSA-N 0 3 279.336 1.429 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CCCO1 ZINC000768448622 576284830 /nfs/dbraw/zinc/28/48/30/576284830.db2.gz UDDFORXWQWLNOV-FZMZJTMJSA-N 0 3 279.336 1.429 10 10 CDCEHN Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CNOC2)c1O ZINC000925860653 617899634 /nfs/dbraw/zinc/89/96/34/617899634.db2.gz TZBFCZXQQZGDOI-PSASIEDQSA-N 0 3 256.733 1.908 10 10 CDCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CNOC2)c1[O-] ZINC000925860653 617899635 /nfs/dbraw/zinc/89/96/35/617899635.db2.gz TZBFCZXQQZGDOI-PSASIEDQSA-N 0 3 256.733 1.908 10 10 CDCEHN C[NH+]1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928704946 835780817 /nfs/dbraw/zinc/78/08/17/835780817.db2.gz GMTWIUJHVFGXMV-UHFFFAOYSA-N 0 3 266.316 1.489 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000724577915 836009421 /nfs/dbraw/zinc/00/94/21/836009421.db2.gz NIVRTVXTIUSHGP-COMQUAJESA-N 0 3 275.348 1.773 10 10 CDCEHN COc1cccc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000850369658 836831239 /nfs/dbraw/zinc/83/12/39/836831239.db2.gz WYWCUOLIFLLETB-JQWIXIFHSA-N 0 3 299.392 1.456 10 10 CDCEHN CCOc1ccc(N(C)C[C@H]2CNCCO2)cc1 ZINC000258984200 836849062 /nfs/dbraw/zinc/84/90/62/836849062.db2.gz UZCPGZVLCZWDHH-CQSZACIVSA-N 0 3 250.342 1.510 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@](C)(F)C2)c1[O-] ZINC000843388012 839950091 /nfs/dbraw/zinc/95/00/91/839950091.db2.gz SLMFNRSOMRCHJX-OAHLLOKOSA-N 0 3 298.333 1.867 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000824583202 840141159 /nfs/dbraw/zinc/14/11/59/840141159.db2.gz JITVINGLTRRLRQ-ZDUSSCGKSA-N 0 3 294.395 1.337 10 10 CDCEHN C[C@@H](CC[NH2+]Cc1cc(F)ccc1[O-])[S@](C)=O ZINC000226620770 840264282 /nfs/dbraw/zinc/26/42/82/840264282.db2.gz YBYOCVFWEJFDAX-XYZCENFISA-N 0 3 259.346 1.778 10 10 CDCEHN COc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)c(O)c1 ZINC000792900720 841839695 /nfs/dbraw/zinc/83/96/95/841839695.db2.gz VEWTWUHIFXFMOU-GFCCVEGCSA-N 0 3 293.367 1.294 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@@H]3C1)[C@@H](O)CO2 ZINC000853588218 841902968 /nfs/dbraw/zinc/90/29/68/841902968.db2.gz DABCSUUEKTVMBO-GMXABZIVSA-N 0 3 291.347 1.286 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@@H]3C1)[C@@H](O)CO2 ZINC000853588218 841903001 /nfs/dbraw/zinc/90/30/01/841903001.db2.gz DABCSUUEKTVMBO-GMXABZIVSA-N 0 3 291.347 1.286 10 10 CDCEHN O=C1O[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000848573880 842507191 /nfs/dbraw/zinc/50/71/91/842507191.db2.gz KTUHGWJOJJNBTR-QWHCGFSZSA-N 0 3 288.347 1.952 10 10 CDCEHN CN(C)c1ccc(CN2CC[C@@H](F)[C@H](N)C2)cc1F ZINC000853248352 842759213 /nfs/dbraw/zinc/75/92/13/842759213.db2.gz RZFZXOWNKZKSSI-DGCLKSJQSA-N 0 3 269.339 1.763 10 10 CDCEHN CCc1cccc(CNCC(=O)NCc2ccco2)c1O ZINC000848893233 842863715 /nfs/dbraw/zinc/86/37/15/842863715.db2.gz UGHLOUTWSDSJKI-UHFFFAOYSA-N 0 3 288.347 1.954 10 10 CDCEHN COC(=O)N(C)CC[N@H+](C)Cc1ccccc1[O-] ZINC000690811653 899684736 /nfs/dbraw/zinc/68/47/36/899684736.db2.gz CSENJLDXLSXAHD-UHFFFAOYSA-N 0 3 252.314 1.522 10 10 CDCEHN COC(=O)N(C)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000690811653 899684745 /nfs/dbraw/zinc/68/47/45/899684745.db2.gz CSENJLDXLSXAHD-UHFFFAOYSA-N 0 3 252.314 1.522 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC001529326563 969027570 /nfs/dbraw/zinc/02/75/70/969027570.db2.gz AHMQREBBRSZKRZ-WCQGTBRESA-N 0 3 276.336 1.168 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC001529326563 969027576 /nfs/dbraw/zinc/02/75/76/969027576.db2.gz AHMQREBBRSZKRZ-WCQGTBRESA-N 0 3 276.336 1.168 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000374895594 370765747 /nfs/dbraw/zinc/76/57/47/370765747.db2.gz NGPGGKJTAHZLII-WQAKAFBOSA-N 0 3 278.327 1.630 10 10 CDCEHN COc1cc(O)c(CN2C[C@@H](O)C3(CC3)C2)cc1OC ZINC000375285697 370802985 /nfs/dbraw/zinc/80/29/85/370802985.db2.gz FFNYXVXFGYATSV-CQSZACIVSA-N 0 3 279.336 1.366 10 10 CDCEHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000284169772 368499049 /nfs/dbraw/zinc/49/90/49/368499049.db2.gz WWZIFJZBWJJVFW-GOEBONIOSA-N 0 3 293.407 1.869 10 10 CDCEHN CN1CCO[C@H]2CN(Cc3cc4c(cc3O)CCC4)C[C@H]21 ZINC000230226780 375542854 /nfs/dbraw/zinc/54/28/54/375542854.db2.gz YRYGUUHDNRCLRL-WBVHZDCISA-N 0 3 288.391 1.396 10 10 CDCEHN NCC[C@H]([NH3+])c1cc(Br)cc(F)c1[O-] ZINC000306846783 375799065 /nfs/dbraw/zinc/79/90/65/375799065.db2.gz IXPZCRBPAXWFDY-QMMMGPOBSA-N 0 3 263.110 1.642 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)CC2 ZINC000527956859 393005748 /nfs/dbraw/zinc/00/57/48/393005748.db2.gz YBVWWCVTSVDBQU-MRVWCRGKSA-N 0 3 263.337 1.509 10 10 CDCEHN COc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000077900267 260167345 /nfs/dbraw/zinc/16/73/45/260167345.db2.gz KZVSGNMMKMYAIA-LLVKDONJSA-N 0 3 264.325 1.111 10 10 CDCEHN Cc1ccc(O)c(CN2CCN3CCOC[C@H]3C2)c1 ZINC000363883756 262000836 /nfs/dbraw/zinc/00/08/36/262000836.db2.gz DNKUCRZOFHICAE-CQSZACIVSA-N 0 3 262.353 1.217 10 10 CDCEHN COC[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1[O-])OC ZINC000230672204 333320532 /nfs/dbraw/zinc/32/05/32/333320532.db2.gz WLDKQKAHHFOAAD-PWSUYJOCSA-N 0 3 269.341 1.713 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1[C@H]3COC[C@H]31)OCO2 ZINC000368610913 335942534 /nfs/dbraw/zinc/94/25/34/335942534.db2.gz BOEFZXQPYYRBDJ-RTCCRHLQSA-N 0 3 263.293 1.103 10 10 CDCEHN CN1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000263770375 523849444 /nfs/dbraw/zinc/84/94/44/523849444.db2.gz TUGSCNKBPMCCRZ-LBPRGKRZSA-N 0 3 263.341 1.286 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000094618043 525608687 /nfs/dbraw/zinc/60/86/87/525608687.db2.gz SAOLLOJTCPLYOU-KWQFWETISA-N 0 3 252.289 1.461 10 10 CDCEHN CCOc1ccc(CN2CC[C@@H](NC(N)=O)C2)c(O)c1 ZINC000770378235 575442595 /nfs/dbraw/zinc/44/25/95/575442595.db2.gz GCORNMPBCYHVGV-LLVKDONJSA-N 0 3 279.340 1.034 10 10 CDCEHN COc1ccc(N2CCCN([C@H]3CCOC3)CC2)cc1 ZINC000770508665 575458102 /nfs/dbraw/zinc/45/81/02/575458102.db2.gz CWQCKNRYEWURQU-HNNXBMFYSA-N 0 3 276.380 1.996 10 10 CDCEHN C[C@H](NC(=O)C(N)C(F)(F)F)c1ccccc1O ZINC000870988436 620565379 /nfs/dbraw/zinc/56/53/79/620565379.db2.gz PDWAVYJNCADWBD-RCOVLWMOSA-N 0 3 262.231 1.459 10 10 CDCEHN CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1[O-] ZINC000700209905 844030525 /nfs/dbraw/zinc/03/05/25/844030525.db2.gz MHMIJKHOTRADDN-TZMCWYRMSA-N 0 3 264.369 1.764 10 10 CDCEHN CC(C)(C[NH2+]Cc1ccccc1[O-])[C@@]1(O)CCOC1 ZINC000842758084 843008315 /nfs/dbraw/zinc/00/83/15/843008315.db2.gz GJPZOXDSDBCJJE-OAHLLOKOSA-N 0 3 265.353 1.659 10 10 CDCEHN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccccc2[O-])n1 ZINC000858327705 843107150 /nfs/dbraw/zinc/10/71/50/843107150.db2.gz XAYIEOQJFKJBSZ-WCQYABFASA-N 0 3 275.308 1.703 10 10 CDCEHN CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000168866166 843724754 /nfs/dbraw/zinc/72/47/54/843724754.db2.gz DVUMCWAOLDZKEK-WCQYABFASA-N 0 3 282.359 1.903 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1[O-] ZINC000852760699 843911932 /nfs/dbraw/zinc/91/19/32/843911932.db2.gz LWGBDPLFFLMVCN-CHWSQXEVSA-N 0 3 284.306 1.605 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000789767780 844863596 /nfs/dbraw/zinc/86/35/96/844863596.db2.gz KMTVYQDFNIZQKJ-OAHLLOKOSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000789767780 844863597 /nfs/dbraw/zinc/86/35/97/844863597.db2.gz KMTVYQDFNIZQKJ-OAHLLOKOSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1ccc(O)c(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000827169781 845534822 /nfs/dbraw/zinc/53/48/22/845534822.db2.gz FWSRQRMJOPTHQY-JQWIXIFHSA-N 0 3 299.392 1.456 10 10 CDCEHN C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977210 846293718 /nfs/dbraw/zinc/29/37/18/846293718.db2.gz DTPNWFCXCSWFDK-VGMNWLOBSA-N 0 3 253.302 1.687 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000840974618 846630341 /nfs/dbraw/zinc/63/03/41/846630341.db2.gz CYDXCWDWPQKTGF-PKOQZONYSA-N 0 3 290.407 1.441 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccccc1[O-] ZINC000700143023 847502287 /nfs/dbraw/zinc/50/22/87/847502287.db2.gz NSEFDZAIEGOIPA-RYUDHWBXSA-N 0 3 250.342 1.373 10 10 CDCEHN Cc1cc(Cl)cc(CN2CCC(O)(CO)CC2)c1O ZINC000827147202 847671045 /nfs/dbraw/zinc/67/10/45/847671045.db2.gz NPIBFDAGQPNLEF-UHFFFAOYSA-N 0 3 285.771 1.673 10 10 CDCEHN C[N@@H+]1CC[C@@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928705383 847734274 /nfs/dbraw/zinc/73/42/74/847734274.db2.gz IFYKJIVKKSBPDL-JTQLQIEISA-N 0 3 266.316 1.489 10 10 CDCEHN C[N@H+]1CC[C@@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928705383 847734281 /nfs/dbraw/zinc/73/42/81/847734281.db2.gz IFYKJIVKKSBPDL-JTQLQIEISA-N 0 3 266.316 1.489 10 10 CDCEHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc(O)ccc1O ZINC001176747987 914238006 /nfs/dbraw/zinc/23/80/06/914238006.db2.gz HAHAGIPTMCZMIZ-QWRGUYRKSA-N 0 3 278.352 1.587 10 10 CDCEHN CCN(CC)CC(=O)NCc1cccc(O)c1O ZINC001348047734 965800554 /nfs/dbraw/zinc/80/05/54/965800554.db2.gz POVIMUTUAAKFEN-UHFFFAOYSA-N 0 3 252.314 1.056 10 10 CDCEHN C[C@H](CC[NH+](C)C)C(=O)NCc1c([O-])cccc1F ZINC001471976087 970525950 /nfs/dbraw/zinc/52/59/50/970525950.db2.gz QNMVEYNLCRTMOD-SNVBAGLBSA-N 0 3 268.332 1.735 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(O)CCOCC2)c1 ZINC000162583887 362758027 /nfs/dbraw/zinc/75/80/27/362758027.db2.gz XWRMJJGPHRBVAN-LLVKDONJSA-N 0 3 281.352 1.593 10 10 CDCEHN CNC(=O)[C@H]1CCCN1Cc1cc(C)c(C)cc1O ZINC000092097859 358537849 /nfs/dbraw/zinc/53/78/49/358537849.db2.gz XPQHJZZEPCHIGK-CYBMUJFWSA-N 0 3 262.353 1.719 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000281648705 363824764 /nfs/dbraw/zinc/82/47/64/363824764.db2.gz BHTMTDAVMAHQSC-GZMMTYOYSA-N 0 3 252.289 1.288 10 10 CDCEHN CCOc1ccc(O)c(CN2CC[C@H](NC(N)=O)C2)c1 ZINC000271335992 391293734 /nfs/dbraw/zinc/29/37/34/391293734.db2.gz NTZDPZHTTWGSHA-NSHDSACASA-N 0 3 279.340 1.034 10 10 CDCEHN CCOc1cccc(CN2C[C@H](O)C3(CC3)C2)c1O ZINC000364447499 391367219 /nfs/dbraw/zinc/36/72/19/391367219.db2.gz MABWWZHXAONKKF-ZDUSSCGKSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000364447499 391367221 /nfs/dbraw/zinc/36/72/21/391367221.db2.gz MABWWZHXAONKKF-ZDUSSCGKSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1cccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000364447499 391367223 /nfs/dbraw/zinc/36/72/23/391367223.db2.gz MABWWZHXAONKKF-ZDUSSCGKSA-N 0 3 263.337 1.748 10 10 CDCEHN C[C@@H](NCCCS(C)(=O)=O)c1cc(O)ccc1O ZINC000038047132 174057235 /nfs/dbraw/zinc/05/72/35/174057235.db2.gz AHPSNZAPKLMIOB-SECBINFHSA-N 0 3 273.354 1.183 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000071407938 176156135 /nfs/dbraw/zinc/15/61/35/176156135.db2.gz MUQYHUHYUNMTBL-UHFFFAOYSA-N 0 3 262.353 1.834 10 10 CDCEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000091666858 260266349 /nfs/dbraw/zinc/26/63/49/260266349.db2.gz TWIDBAMJVSMIEU-CZUORRHYSA-N 0 3 277.412 1.734 10 10 CDCEHN COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529681134 281354260 /nfs/dbraw/zinc/35/42/60/281354260.db2.gz VYNZKXRERRZVDH-UVARLRKDSA-N 0 3 295.404 1.886 10 10 CDCEHN CCCNC(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000228668849 329058922 /nfs/dbraw/zinc/05/89/22/329058922.db2.gz XRZMCMDGKANMNG-UHFFFAOYSA-N 0 3 286.759 1.670 10 10 CDCEHN CCN1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000040501661 521618182 /nfs/dbraw/zinc/61/81/82/521618182.db2.gz XICTUAZNPIQMDL-CQSZACIVSA-N 0 3 261.369 1.412 10 10 CDCEHN C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1[NH+](C)C ZINC000252765017 524626569 /nfs/dbraw/zinc/62/65/69/524626569.db2.gz GGTJJTDLWZMQGO-GXFFZTMASA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1N(C)C ZINC000252765017 524626579 /nfs/dbraw/zinc/62/65/79/524626579.db2.gz GGTJJTDLWZMQGO-GXFFZTMASA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1N(C)C ZINC000252765017 524626581 /nfs/dbraw/zinc/62/65/81/524626581.db2.gz GGTJJTDLWZMQGO-GXFFZTMASA-N 0 3 252.333 1.913 10 10 CDCEHN CCOc1ccc(CN2CCC[C@H]2C(=O)NC)c(O)c1 ZINC000768906854 576316982 /nfs/dbraw/zinc/31/69/82/576316982.db2.gz QROQGSQYCHWGAW-ZDUSSCGKSA-N 0 3 278.352 1.501 10 10 CDCEHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1ccccc1O ZINC000870988435 620565342 /nfs/dbraw/zinc/56/53/42/620565342.db2.gz PDWAVYJNCADWBD-MUWHJKNJSA-N 0 3 262.231 1.459 10 10 CDCEHN CC[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279947 625951552 /nfs/dbraw/zinc/95/15/52/625951552.db2.gz MDIIJDIYNAERJB-GOEBONIOSA-N 0 3 294.395 1.126 10 10 CDCEHN CC[NH+]1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000913894710 630867574 /nfs/dbraw/zinc/86/75/74/630867574.db2.gz YOXYCTSWHVHEPU-UHFFFAOYSA-N 0 3 295.358 1.815 10 10 CDCEHN COc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000135215837 1175822518 /nfs/dbraw/zinc/82/25/18/1175822518.db2.gz UYKMURRTGMSKHS-ZYHUDNBSSA-N 0 3 251.326 1.915 10 10 CDCEHN COc1ccc(CNCCN2CCCS2(=O)=O)cc1C ZINC000237138148 1178559706 /nfs/dbraw/zinc/55/97/06/1178559706.db2.gz VZBVGTFPLRUHMX-UHFFFAOYSA-N 0 3 298.408 1.129 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000802310765 697776162 /nfs/dbraw/zinc/77/61/62/697776162.db2.gz VYIXYZHNQVHVBZ-QXEWZRGKSA-N 0 3 269.316 1.677 10 10 CDCEHN Cn1nccc1[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000927133024 697815271 /nfs/dbraw/zinc/81/52/71/697815271.db2.gz XSDDEFGAWOMMKY-FZMZJTMJSA-N 0 3 273.336 1.436 10 10 CDCEHN COC[C@H](CC[NH2+]Cc1c([O-])cccc1OC)OC ZINC000850344988 698033699 /nfs/dbraw/zinc/03/36/99/698033699.db2.gz FEOBFUGKBAKELU-NSHDSACASA-N 0 3 269.341 1.542 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1[O-] ZINC000839179346 698395012 /nfs/dbraw/zinc/39/50/12/698395012.db2.gz LWVYOGLFUUCEFR-GFCCVEGCSA-N 0 3 296.758 1.096 10 10 CDCEHN CCOc1ccc(CN2CC(C)(C(N)=O)C2)c(O)c1 ZINC000843416057 698425478 /nfs/dbraw/zinc/42/54/78/698425478.db2.gz OSOWBSUYAZCXOT-UHFFFAOYSA-N 0 3 264.325 1.098 10 10 CDCEHN COC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000716972515 698528686 /nfs/dbraw/zinc/52/86/86/698528686.db2.gz QNKUHBHMQVXDLU-ZDUSSCGKSA-N 0 3 289.759 1.541 10 10 CDCEHN CCS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000703495975 699004814 /nfs/dbraw/zinc/00/48/14/699004814.db2.gz XMYABVDIOFDVHL-LBPRGKRZSA-N 0 3 295.404 1.936 10 10 CDCEHN CS(=O)(=O)C1CC(NCc2ccc3c(c2)CCO3)C1 ZINC000715199563 704830444 /nfs/dbraw/zinc/83/04/44/704830444.db2.gz PIMKFASYUAHAAS-UHFFFAOYSA-N 0 3 281.377 1.287 10 10 CDCEHN C[C@H](NCc1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000796488514 705069372 /nfs/dbraw/zinc/06/93/72/705069372.db2.gz DONDLXKVAWICLW-LBPRGKRZSA-N 0 3 296.436 1.808 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCN(C)C2=O)cc1 ZINC000835043330 705283419 /nfs/dbraw/zinc/28/34/19/705283419.db2.gz OXDXEKHERCUYOK-MQDFFIGUSA-N 0 3 287.407 1.976 10 10 CDCEHN CC[C@@H]1[C@@H](C(=O)NCc2c([O-])cccc2F)CC[N@@H+]1C ZINC000928706620 848398684 /nfs/dbraw/zinc/39/86/84/848398684.db2.gz SKEIGFZAJGNUCJ-GXFFZTMASA-N 0 3 280.343 1.878 10 10 CDCEHN CC[C@@H]1[C@@H](C(=O)NCc2c([O-])cccc2F)CC[N@H+]1C ZINC000928706620 848398697 /nfs/dbraw/zinc/39/86/97/848398697.db2.gz SKEIGFZAJGNUCJ-GXFFZTMASA-N 0 3 280.343 1.878 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@]2(CO)CCOC2)cc1 ZINC000835048690 848712351 /nfs/dbraw/zinc/71/23/51/848712351.db2.gz XSKMKWWRQYGGBL-CWDCEQMOSA-N 0 3 276.380 1.507 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c([O-])c1 ZINC000090026581 848820281 /nfs/dbraw/zinc/82/02/81/848820281.db2.gz FZYACEFJGMJLIA-ZYHUDNBSSA-N 0 3 276.336 1.499 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000858494827 849256435 /nfs/dbraw/zinc/25/64/35/849256435.db2.gz ONBLXHMTYRUYBT-TURQNECASA-N 0 3 278.327 1.933 10 10 CDCEHN C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000714246717 849614264 /nfs/dbraw/zinc/61/42/64/849614264.db2.gz BQOCZORHGOCCGS-LSJOCFKGSA-N 0 3 287.356 1.758 10 10 CDCEHN C[C@@H]1C[NH+](Cc2cc(F)ccc2[O-])C[C@@H](C)C1O ZINC000827151805 849732688 /nfs/dbraw/zinc/73/26/88/849732688.db2.gz KCNWBGCAIJEZCA-NXEZZACHSA-N 0 3 253.317 1.980 10 10 CDCEHN C[C@@H]([NH2+]C1COCCOC1)c1cc(F)ccc1[O-] ZINC000310871346 850008286 /nfs/dbraw/zinc/00/82/86/850008286.db2.gz UFFTXOFDJMYBJT-SECBINFHSA-N 0 3 255.289 1.597 10 10 CDCEHN CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000866412899 850138852 /nfs/dbraw/zinc/13/88/52/850138852.db2.gz NJNGVOPPZKYWOQ-KBPBESRZSA-N 0 3 290.407 1.814 10 10 CDCEHN CCOc1cccc(CN2CC[C@@H](NC(N)=O)C2)c1O ZINC000690730820 896550641 /nfs/dbraw/zinc/55/06/41/896550641.db2.gz GJRGOHIPQCQEMV-LLVKDONJSA-N 0 3 279.340 1.034 10 10 CDCEHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCO1 ZINC000042879603 358983943 /nfs/dbraw/zinc/98/39/43/358983943.db2.gz JNJKVWLTIOCURF-SKDRFNHKSA-N 0 3 265.309 1.778 10 10 CDCEHN Cc1cc(CN2CC[C@@H](NC(N)=O)C2)ccc1N(C)C ZINC000293680179 370744825 /nfs/dbraw/zinc/74/48/25/370744825.db2.gz AYZNWUOCBQBPEO-CYBMUJFWSA-N 0 3 276.384 1.304 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000285218926 368598303 /nfs/dbraw/zinc/59/83/03/368598303.db2.gz RQJIQLDMHDHHKU-SWLSCSKDSA-N 0 3 297.395 1.648 10 10 CDCEHN Cc1noc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000297134424 371452260 /nfs/dbraw/zinc/45/22/60/371452260.db2.gz ZBJOKNXBEQOOQX-LLVKDONJSA-N 0 3 259.309 1.903 10 10 CDCEHN CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000071407960 176156305 /nfs/dbraw/zinc/15/63/05/176156305.db2.gz WFOQJHXXLABGLG-ZDUSSCGKSA-N 0 3 264.369 1.951 10 10 CDCEHN CNC(=O)[C@H](CC(C)C)NCc1cc(C)ccc1O ZINC000071407960 176156306 /nfs/dbraw/zinc/15/63/06/176156306.db2.gz WFOQJHXXLABGLG-ZDUSSCGKSA-N 0 3 264.369 1.951 10 10 CDCEHN C[C@@H](O)C(C)(C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000161153658 261238318 /nfs/dbraw/zinc/23/83/18/261238318.db2.gz PSHXWTAFTMHDRE-MRVPVSSYSA-N 0 3 253.298 1.370 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000184934658 262033868 /nfs/dbraw/zinc/03/38/68/262033868.db2.gz HHKGBOJIGSJMHJ-CHWSQXEVSA-N 0 3 294.395 1.772 10 10 CDCEHN CO[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C ZINC000190193629 264351108 /nfs/dbraw/zinc/35/11/08/264351108.db2.gz VPCAKHQPAKRNSL-BONVTDFDSA-N 0 3 279.336 1.978 10 10 CDCEHN CO[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CC[C@@H]1C ZINC000190193629 264351110 /nfs/dbraw/zinc/35/11/10/264351110.db2.gz VPCAKHQPAKRNSL-BONVTDFDSA-N 0 3 279.336 1.978 10 10 CDCEHN CO[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC[C@@H]1C ZINC000190193629 264351111 /nfs/dbraw/zinc/35/11/11/264351111.db2.gz VPCAKHQPAKRNSL-BONVTDFDSA-N 0 3 279.336 1.978 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000078638610 525350815 /nfs/dbraw/zinc/35/08/15/525350815.db2.gz GXZWQDHYZONNFM-ZDUSSCGKSA-N 0 3 250.342 1.121 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCO1 ZINC000768448623 576284641 /nfs/dbraw/zinc/28/46/41/576284641.db2.gz UDDFORXWQWLNOV-SMDDNHRTSA-N 0 3 279.336 1.429 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CCCO1 ZINC000768448623 576284644 /nfs/dbraw/zinc/28/46/44/576284644.db2.gz UDDFORXWQWLNOV-SMDDNHRTSA-N 0 3 279.336 1.429 10 10 CDCEHN COC(=O)[C@H]1CCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000754728003 576912642 /nfs/dbraw/zinc/91/26/42/576912642.db2.gz UKLNESOXFQTPLJ-NSHDSACASA-N 0 3 279.336 1.704 10 10 CDCEHN CC[C@H](C[NH2+]Cc1ccc(C)cc1[O-])C(=O)OC ZINC000895141947 619346924 /nfs/dbraw/zinc/34/69/24/619346924.db2.gz XSYYCLXIXWKOFH-LLVKDONJSA-N 0 3 251.326 1.989 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000895688288 619799932 /nfs/dbraw/zinc/79/99/32/619799932.db2.gz LBFGXTPFQRNZOR-CTYIDZIISA-N 0 3 296.436 1.726 10 10 CDCEHN C[C@@H]1CC[C@H](NCc2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850368041 705304670 /nfs/dbraw/zinc/30/46/70/705304670.db2.gz HUAWUBWBHNJXIA-OCCSQVGLSA-N 0 3 296.436 1.808 10 10 CDCEHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(OC)C2=O)c1 ZINC000930216666 705723065 /nfs/dbraw/zinc/72/30/65/705723065.db2.gz NDWAFHVRCYAPSS-BXKDBHETSA-N 0 3 280.324 1.214 10 10 CDCEHN CN1C(=O)CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000312836540 705735521 /nfs/dbraw/zinc/73/55/21/705735521.db2.gz OJZBVNDBRLGCKH-WDEREUQCSA-N 0 3 274.320 1.117 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)c1 ZINC000817969241 705785388 /nfs/dbraw/zinc/78/53/88/705785388.db2.gz SOFDDFRDBOQYOA-UHIISALHSA-N 0 3 292.379 1.827 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817969241 705785396 /nfs/dbraw/zinc/78/53/96/705785396.db2.gz SOFDDFRDBOQYOA-UHIISALHSA-N 0 3 292.379 1.827 10 10 CDCEHN Cn1cnc(CCC[NH2+]Cc2cc(F)ccc2[O-])n1 ZINC000843419804 710258145 /nfs/dbraw/zinc/25/81/45/710258145.db2.gz AEKLMZMXJDBMOQ-UHFFFAOYSA-N 0 3 264.304 1.382 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cc(F)ccc1[O-] ZINC000094618041 710471620 /nfs/dbraw/zinc/47/16/20/710471620.db2.gz SAOLLOJTCPLYOU-GZMMTYOYSA-N 0 3 252.289 1.461 10 10 CDCEHN CCN(C)c1ccc(CN2CCOC[C@@H](O)C2)cc1 ZINC000830638489 710721596 /nfs/dbraw/zinc/72/15/96/710721596.db2.gz GZNYJYUPNGOKGO-HNNXBMFYSA-N 0 3 264.369 1.336 10 10 CDCEHN Oc1cc2c(cc1CN1C[C@@H]3C[C@H]1CS3)[C@H](O)CO2 ZINC000840169221 711365699 /nfs/dbraw/zinc/36/56/99/711365699.db2.gz UFNHRKPWHUQYOS-OUJBWJOFSA-N 0 3 279.361 1.508 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@H]1CS3)[C@H](O)CO2 ZINC000840169221 711365703 /nfs/dbraw/zinc/36/57/03/711365703.db2.gz UFNHRKPWHUQYOS-OUJBWJOFSA-N 0 3 279.361 1.508 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3C[C@H]1CS3)[C@H](O)CO2 ZINC000840169221 711365706 /nfs/dbraw/zinc/36/57/06/711365706.db2.gz UFNHRKPWHUQYOS-OUJBWJOFSA-N 0 3 279.361 1.508 10 10 CDCEHN C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508406 711554114 /nfs/dbraw/zinc/55/41/14/711554114.db2.gz NEPPUXVKEYDZIL-WFASDCNBSA-N 0 3 281.352 1.211 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CC[C@]2(O)CCOC2)c1[O-] ZINC000846047716 711625932 /nfs/dbraw/zinc/62/59/32/711625932.db2.gz APQJNHONPINUDK-AWEZNQCLSA-N 0 3 285.771 1.985 10 10 CDCEHN CNC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)C(C)C ZINC000921917006 711786653 /nfs/dbraw/zinc/78/66/53/711786653.db2.gz UFDWBFQOANSVNR-HNNXBMFYSA-N 0 3 276.380 1.872 10 10 CDCEHN C[C@@H](CC[NH+](C)C)C(=O)NCc1c([O-])cccc1F ZINC001471976086 970526259 /nfs/dbraw/zinc/52/62/59/970526259.db2.gz QNMVEYNLCRTMOD-JTQLQIEISA-N 0 3 268.332 1.735 10 10 CDCEHN NCC[C@H]([NH3+])c1c([O-])c(F)ccc1Br ZINC000306981433 364927588 /nfs/dbraw/zinc/92/75/88/364927588.db2.gz HTUKZFSSJZKNKU-ZETCQYMHSA-N 0 3 263.110 1.642 10 10 CDCEHN N[C@@H](CC[NH3+])c1c([O-])c(F)ccc1Br ZINC000306981433 364927597 /nfs/dbraw/zinc/92/75/97/364927597.db2.gz HTUKZFSSJZKNKU-ZETCQYMHSA-N 0 3 263.110 1.642 10 10 CDCEHN Cc1cccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284996415 368567902 /nfs/dbraw/zinc/56/79/02/368567902.db2.gz JFTMNUODKYBRQO-KBPBESRZSA-N 0 3 281.396 1.948 10 10 CDCEHN COCCN1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000120773689 390875723 /nfs/dbraw/zinc/87/57/23/390875723.db2.gz YDPZGOBBJAQPIQ-OAHLLOKOSA-N 0 3 291.439 1.905 10 10 CDCEHN Cc1ccc(O)c([C@H](C)N(C)CC(=O)N2CCNCC2)c1 ZINC000038031126 174024940 /nfs/dbraw/zinc/02/49/40/174024940.db2.gz POZBIAGFQAKNFD-ZDUSSCGKSA-N 0 3 291.395 1.125 10 10 CDCEHN CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296950368 263198933 /nfs/dbraw/zinc/19/89/33/263198933.db2.gz QTAXDVPZOMBEAE-STQMWFEESA-N 0 3 289.379 1.773 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000179571318 329209605 /nfs/dbraw/zinc/20/96/05/329209605.db2.gz ASGORXMHKWDYNV-UHFFFAOYSA-N 0 3 284.363 1.895 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000179571318 329209606 /nfs/dbraw/zinc/20/96/06/329209606.db2.gz ASGORXMHKWDYNV-UHFFFAOYSA-N 0 3 284.363 1.895 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]CCn2cc(C)cn2)c1 ZINC000224792229 333225793 /nfs/dbraw/zinc/22/57/93/333225793.db2.gz GWZOYJWQEJQIMI-UHFFFAOYSA-N 0 3 261.325 1.696 10 10 CDCEHN COc1ccc(CNC/C=C/CNC(C)=O)cc1C ZINC001732814665 1183134564 /nfs/dbraw/zinc/13/45/64/1183134564.db2.gz GJKNKJJQFXXKCC-SNAWJCMRSA-N 0 3 262.353 1.786 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](C)CCC(N)=O)c1[O-] ZINC000289511796 524861673 /nfs/dbraw/zinc/86/16/73/524861673.db2.gz GUQWTJAMYUSWMT-UHFFFAOYSA-N 0 3 256.733 1.661 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](C)CCC(N)=O)c1[O-] ZINC000289511796 524861683 /nfs/dbraw/zinc/86/16/83/524861683.db2.gz GUQWTJAMYUSWMT-UHFFFAOYSA-N 0 3 256.733 1.661 10 10 CDCEHN CC[C@H](C[NH2+]Cc1c([O-])cccc1OC)C(=O)OC ZINC000895120788 619314850 /nfs/dbraw/zinc/31/48/50/619314850.db2.gz ROODNAPAUPIJRX-SNVBAGLBSA-N 0 3 267.325 1.690 10 10 CDCEHN CC[C@@H](C[NH2+]Cc1c([O-])cccc1OC)C(=O)OC ZINC000895120787 619314943 /nfs/dbraw/zinc/31/49/43/619314943.db2.gz ROODNAPAUPIJRX-JTQLQIEISA-N 0 3 267.325 1.690 10 10 CDCEHN Cn1nc2c(c1C[NH2+]Cc1ccccc1[O-])CCC2 ZINC000921652067 633128383 /nfs/dbraw/zinc/12/83/83/633128383.db2.gz OXENKEVRRBBHLC-UHFFFAOYSA-N 0 3 257.337 1.904 10 10 CDCEHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1O ZINC001648889838 1158591442 /nfs/dbraw/zinc/59/14/42/1158591442.db2.gz OKTYAOKVYARVTI-VXGBXAGGSA-N 0 3 262.353 1.911 10 10 CDCEHN CCOc1cccc(CNCC(=O)N(C)OCC)c1O ZINC000846062277 711915066 /nfs/dbraw/zinc/91/50/66/711915066.db2.gz BUHLIIICTHJCLY-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)OC)c1 ZINC000397531969 712128959 /nfs/dbraw/zinc/12/89/59/712128959.db2.gz COGSLODAXCHJOL-SECBINFHSA-N 0 3 268.313 1.071 10 10 CDCEHN CC[C@H]([NH2+]C[C@](C)(CO)OC)c1ccccc1[O-] ZINC000702536023 712210013 /nfs/dbraw/zinc/21/00/13/712210013.db2.gz FPAFVWMYAUPKFB-GXTWGEPZSA-N 0 3 253.342 1.830 10 10 CDCEHN CN(C)c1cc(F)c(CNCC[C@@H]2CNC(=O)C2)cc1F ZINC000922778515 712243704 /nfs/dbraw/zinc/24/37/04/712243704.db2.gz FBHWVYZATVTQHS-JTQLQIEISA-N 0 3 297.349 1.647 10 10 CDCEHN Cc1cccc([O-])c1C[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000872261758 712268625 /nfs/dbraw/zinc/26/86/25/712268625.db2.gz XAGUDYYZHOFYCO-OAHLLOKOSA-N 0 3 292.335 1.011 10 10 CDCEHN C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129900 712342471 /nfs/dbraw/zinc/34/24/71/712342471.db2.gz HOJYHHHEYZDWTA-GXFFZTMASA-N 0 3 269.316 1.503 10 10 CDCEHN C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129900 712342473 /nfs/dbraw/zinc/34/24/73/712342473.db2.gz HOJYHHHEYZDWTA-GXFFZTMASA-N 0 3 269.316 1.503 10 10 CDCEHN CCc1cccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000703136657 712415559 /nfs/dbraw/zinc/41/55/59/712415559.db2.gz CIFIVFCNVRZBGO-CYBMUJFWSA-N 0 3 298.408 1.078 10 10 CDCEHN CCOc1ccc(C[NH2+]C2COCCOC2)c([O-])c1 ZINC000813789540 712756983 /nfs/dbraw/zinc/75/69/83/712756983.db2.gz SSADKPBOEFGOJP-UHFFFAOYSA-N 0 3 267.325 1.296 10 10 CDCEHN CC[C@H]([NH2+]C1COCCOC1)c1ccccc1[O-] ZINC000311040302 898631488 /nfs/dbraw/zinc/63/14/88/898631488.db2.gz FALNSXCFHAWAEC-ZDUSSCGKSA-N 0 3 251.326 1.848 10 10 CDCEHN CS(=O)(=O)C1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000716074137 910112168 /nfs/dbraw/zinc/11/21/68/910112168.db2.gz XXAUYAJRUNBLKD-UHFFFAOYSA-N 0 3 255.339 1.057 10 10 CDCEHN CN(C)c1ccc(/C=C/CN(C)CCOCCO)cc1 ZINC000835049418 936714883 /nfs/dbraw/zinc/71/48/83/936714883.db2.gz IPDGGWPTMKHYES-SNAWJCMRSA-N 0 3 278.396 1.707 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(F)ccc1[O-] ZINC000700232025 922193549 /nfs/dbraw/zinc/19/35/49/922193549.db2.gz KJSOUEICJBESGV-CMPLNLGQSA-N 0 3 268.332 1.513 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)c([O-])c1 ZINC000839152870 936906621 /nfs/dbraw/zinc/90/66/21/936906621.db2.gz CBYFPCWJVHRUEK-HNNXBMFYSA-N 0 3 281.352 1.110 10 10 CDCEHN CCOc1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)c([O-])c1 ZINC000839152870 936906625 /nfs/dbraw/zinc/90/66/25/936906625.db2.gz CBYFPCWJVHRUEK-HNNXBMFYSA-N 0 3 281.352 1.110 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])[C@@H]2C)c1[O-] ZINC000842475493 937058293 /nfs/dbraw/zinc/05/82/93/937058293.db2.gz QOKNDQXAKOCJPX-SDBXPKJASA-N 0 3 266.316 1.655 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)c([O-])c1 ZINC000786945375 929298281 /nfs/dbraw/zinc/29/82/81/929298281.db2.gz MOPPVBZEQZUETK-NSHDSACASA-N 0 3 283.393 1.786 10 10 CDCEHN C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccccc1[O-] ZINC000825130420 931491677 /nfs/dbraw/zinc/49/16/77/931491677.db2.gz XVUUEMUDINOLRY-WCQYABFASA-N 0 3 251.326 1.364 10 10 CDCEHN C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccccc1[O-] ZINC000825130420 931491678 /nfs/dbraw/zinc/49/16/78/931491678.db2.gz XVUUEMUDINOLRY-WCQYABFASA-N 0 3 251.326 1.364 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000779027791 934351331 /nfs/dbraw/zinc/35/13/31/934351331.db2.gz CLJLAXNOQLXOSB-LBPRGKRZSA-N 0 3 253.367 1.692 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000779027791 934351335 /nfs/dbraw/zinc/35/13/35/934351335.db2.gz CLJLAXNOQLXOSB-LBPRGKRZSA-N 0 3 253.367 1.692 10 10 CDCEHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001558689102 965337491 /nfs/dbraw/zinc/33/74/91/965337491.db2.gz JQMVVLSYAPVLSV-GFCCVEGCSA-N 0 3 278.352 1.241 10 10 CDCEHN C[C@H](NCCO)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000020551005 356547441 /nfs/dbraw/zinc/54/74/41/356547441.db2.gz LYMKCAWEUWKGIH-LBPRGKRZSA-N 0 3 281.375 1.220 10 10 CDCEHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272378080 365213183 /nfs/dbraw/zinc/21/31/83/365213183.db2.gz FGVKMCGZHSAYJC-STMXVASLSA-N 0 3 290.363 1.664 10 10 CDCEHN [O-]c1ccc(F)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530176634 368146972 /nfs/dbraw/zinc/14/69/72/368146972.db2.gz DRUWFEHCIONGKU-ZDUSSCGKSA-N 0 3 250.317 1.906 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000371405380 370274355 /nfs/dbraw/zinc/27/43/55/370274355.db2.gz CVMUZEPAFLUJLU-BBRMVZONSA-N 0 3 293.363 1.829 10 10 CDCEHN CCOc1cccc(C[NH2+]C[C@H]2CN(C)CCO2)c1[O-] ZINC000105471214 391064677 /nfs/dbraw/zinc/06/46/77/391064677.db2.gz LJTAKFQCVIOADV-ZDUSSCGKSA-N 0 3 280.368 1.211 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000036331715 172615510 /nfs/dbraw/zinc/61/55/10/172615510.db2.gz HKMYLKSQYKADJE-NSHDSACASA-N 0 3 283.393 1.928 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180233991 329218728 /nfs/dbraw/zinc/21/87/28/329218728.db2.gz YBGDGHIRDULDLV-GDBMZVCRSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000180233991 329218729 /nfs/dbraw/zinc/21/87/29/329218729.db2.gz YBGDGHIRDULDLV-GDBMZVCRSA-N 0 3 290.407 1.853 10 10 CDCEHN CN(CCC[NH+](C)C)C(=O)c1cccc(O)c1[O-] ZINC000126418371 1175465238 /nfs/dbraw/zinc/46/52/38/1175465238.db2.gz LLJAEUITXALFEN-UHFFFAOYSA-N 0 3 252.314 1.122 10 10 CDCEHN COCCN(Cc1cc(OC)c(C)cc1O)[C@@H]1CCOC1 ZINC000782954298 898858203 /nfs/dbraw/zinc/85/82/03/898858203.db2.gz MOWQSKMIMCKHCU-CQSZACIVSA-N 0 3 295.379 1.947 10 10 CDCEHN COc1ccc(N(C)C[C@@H]2CNCCO2)c(OC)c1 ZINC000258912199 901017237 /nfs/dbraw/zinc/01/72/37/901017237.db2.gz MHHWHOXWNGQBJO-LBPRGKRZSA-N 0 3 266.341 1.128 10 10 CDCEHN COc1ccc(C[NH2+]C2CC(S(C)(=O)=O)C2)c([O-])c1 ZINC000715209544 909861036 /nfs/dbraw/zinc/86/10/36/909861036.db2.gz VLRYXJOCXHCRQG-UHFFFAOYSA-N 0 3 285.365 1.066 10 10 CDCEHN COc1cc(C)cc(CN2CCN(C3CC3)CC2)c1O ZINC000164243264 911345819 /nfs/dbraw/zinc/34/58/19/911345819.db2.gz MBVNFNLCNZCLFL-UHFFFAOYSA-N 0 3 276.380 1.989 10 10 CDCEHN CNC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000398455800 936711158 /nfs/dbraw/zinc/71/11/58/936711158.db2.gz GLQBMQHECDTPGZ-VIFPVBQESA-N 0 3 252.289 1.099 10 10 CDCEHN CNC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000398455800 936711160 /nfs/dbraw/zinc/71/11/60/936711160.db2.gz GLQBMQHECDTPGZ-VIFPVBQESA-N 0 3 252.289 1.099 10 10 CDCEHN CC[C@@H]([NH2+]CCc1nnnn1C)c1ccccc1[O-] ZINC000775520556 923019421 /nfs/dbraw/zinc/01/94/21/923019421.db2.gz SVKPYGNQLXEGDB-LLVKDONJSA-N 0 3 261.329 1.199 10 10 CDCEHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C1CCC1 ZINC000708705873 923193790 /nfs/dbraw/zinc/19/37/90/923193790.db2.gz WGTQTWSNIXCEHK-ZDUSSCGKSA-N 0 3 260.337 1.635 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CCC[C@](O)(CO)C2)c([O-])c1 ZINC000839152871 936906794 /nfs/dbraw/zinc/90/67/94/936906794.db2.gz CBYFPCWJVHRUEK-OAHLLOKOSA-N 0 3 281.352 1.110 10 10 CDCEHN CCOc1ccc(C[N@H+]2CCC[C@](O)(CO)C2)c([O-])c1 ZINC000839152871 936906796 /nfs/dbraw/zinc/90/67/96/936906796.db2.gz CBYFPCWJVHRUEK-OAHLLOKOSA-N 0 3 281.352 1.110 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000839196672 936908479 /nfs/dbraw/zinc/90/84/79/936908479.db2.gz WXIOFRGRQHNLTH-SNVBAGLBSA-N 0 3 282.771 1.970 10 10 CDCEHN COC(=O)C1=CC[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000862465568 929419525 /nfs/dbraw/zinc/41/95/25/929419525.db2.gz RMQJVVFCUOMOON-NSHDSACASA-N 0 3 277.320 1.752 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c([O-])c1 ZINC000090026585 930196384 /nfs/dbraw/zinc/19/63/84/930196384.db2.gz FZYACEFJGMJLIA-CMPLNLGQSA-N 0 3 276.336 1.499 10 10 CDCEHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2O)C1 ZINC000816889173 930380983 /nfs/dbraw/zinc/38/09/83/930380983.db2.gz OQENTXWPBQXUAR-GFCCVEGCSA-N 0 3 262.353 1.692 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000925344678 932875131 /nfs/dbraw/zinc/87/51/31/932875131.db2.gz LZKDELMESIDNJL-YPMHNXCESA-N 0 3 277.368 1.592 10 10 CDCEHN CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000796512654 935316958 /nfs/dbraw/zinc/31/69/58/935316958.db2.gz HLZFZAULMBMSPY-CYBMUJFWSA-N 0 3 298.408 1.296 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2cccc(C)c2O)CC1 ZINC000180518960 357274256 /nfs/dbraw/zinc/27/42/56/357274256.db2.gz NUZNKUJVLXPSIR-OAHLLOKOSA-N 0 3 278.396 1.589 10 10 CDCEHN CCOc1cccc(C[NH2+][C@H](C)[C@H](C)CO)c1[O-] ZINC000134981495 375668264 /nfs/dbraw/zinc/66/82/64/375668264.db2.gz AYUBOPXQBRDELU-GHMZBOCLSA-N 0 3 253.342 1.897 10 10 CDCEHN COc1ccc(O)c([C@H](C)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000019900144 170912307 /nfs/dbraw/zinc/91/23/07/170912307.db2.gz ZSNPYBFNYGAVMX-VHSXEESVSA-N 0 3 285.365 1.239 10 10 CDCEHN CN1CCN(CCCC(=O)Nc2ccc(N)cc2)CC1 ZINC000022153411 171360670 /nfs/dbraw/zinc/36/06/70/171360670.db2.gz VNNXRJDTQTWUIH-UHFFFAOYSA-N 0 3 276.384 1.235 10 10 CDCEHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]2CCCCN12 ZINC000373019232 327687189 /nfs/dbraw/zinc/68/71/89/327687189.db2.gz GEOOLKDKFUZAQZ-OLZOCXBDSA-N 0 3 260.337 1.635 10 10 CDCEHN CN1CCN(CCC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000164936157 331305412 /nfs/dbraw/zinc/30/54/12/331305412.db2.gz ABKUZSBUPRZESH-UHFFFAOYSA-N 0 3 281.375 1.258 10 10 CDCEHN COc1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1C ZINC000527757369 538446873 /nfs/dbraw/zinc/44/68/73/538446873.db2.gz DUBOLQSXVNFLRR-HIFRSBDPSA-N 0 3 265.353 1.633 10 10 CDCEHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])NCC1CC1 ZINC000393203578 1159472396 /nfs/dbraw/zinc/47/23/96/1159472396.db2.gz IXURLWDMJJPGDY-UHFFFAOYSA-N 0 3 252.289 1.147 10 10 CDCEHN COc1cccc(O)c1CNC[C@H](O)C(F)(F)F ZINC000788977321 1162064119 /nfs/dbraw/zinc/06/41/19/1162064119.db2.gz CCRMSMMDILXUHK-JTQLQIEISA-N 0 3 265.231 1.414 10 10 CDCEHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001616565605 1165570690 /nfs/dbraw/zinc/57/06/90/1165570690.db2.gz SXKSPZSJBOVNFX-UHFFFAOYSA-N 0 3 294.395 1.687 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000714244212 909718169 /nfs/dbraw/zinc/71/81/69/909718169.db2.gz ATXZZUUMHRMFQD-IJLUTSLNSA-N 0 3 283.393 1.927 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]CC1CCC(O)CC1)OCO2 ZINC000227636639 911788537 /nfs/dbraw/zinc/78/85/37/911788537.db2.gz QMWZFOFXUHPDHX-UHFFFAOYSA-N 0 3 279.336 1.762 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@@H]2CCCN2C)c([O-])c1 ZINC000858307201 928834320 /nfs/dbraw/zinc/83/43/20/928834320.db2.gz DAYQEONCMJDHEB-ZDUSSCGKSA-N 0 3 264.369 1.975 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001320497217 959205549 /nfs/dbraw/zinc/20/55/49/959205549.db2.gz ASNCJAWRYBTDLA-HBBFGDNQSA-N 0 3 277.364 1.994 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001320497217 959205557 /nfs/dbraw/zinc/20/55/57/959205557.db2.gz ASNCJAWRYBTDLA-HBBFGDNQSA-N 0 3 277.364 1.994 10 10 CDCEHN CN(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179886823 357228556 /nfs/dbraw/zinc/22/85/56/357228556.db2.gz IRFVSBKSNBCDDH-UHFFFAOYSA-N 0 3 280.343 1.832 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nc(C)no2)c1 ZINC000185972129 358790488 /nfs/dbraw/zinc/79/04/88/358790488.db2.gz HDUULLUEGKVIHT-VIFPVBQESA-N 0 3 277.324 1.986 10 10 CDCEHN NCC[C@H]([NH3+])c1cc(F)cc(Br)c1[O-] ZINC000306595551 360649177 /nfs/dbraw/zinc/64/91/77/360649177.db2.gz XZZUJQFBYXPQBV-QMMMGPOBSA-N 0 3 263.110 1.642 10 10 CDCEHN N[C@@H](CC[NH3+])c1c(F)ccc(Br)c1[O-] ZINC000307205374 375818178 /nfs/dbraw/zinc/81/81/78/375818178.db2.gz HFSCYLINKMVOGZ-ZETCQYMHSA-N 0 3 263.110 1.642 10 10 CDCEHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1N1CCOCC1 ZINC000245900227 376307609 /nfs/dbraw/zinc/30/76/09/376307609.db2.gz DOFBJOJBXPEBRK-IUODEOHRSA-N 0 3 294.370 1.684 10 10 CDCEHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1N1CCOCC1 ZINC000245900227 376307610 /nfs/dbraw/zinc/30/76/10/376307610.db2.gz DOFBJOJBXPEBRK-IUODEOHRSA-N 0 3 294.370 1.684 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(O)ccc1[O-] ZINC000038060269 174070875 /nfs/dbraw/zinc/07/08/75/174070875.db2.gz CCDHZQYTZXVMBW-KOLCDFICSA-N 0 3 253.298 1.164 10 10 CDCEHN CN1CCc2cc(CNCc3ccnn3C)ccc21 ZINC000071333622 176126372 /nfs/dbraw/zinc/12/63/72/176126372.db2.gz RMTFWECSDGJWKS-UHFFFAOYSA-N 0 3 256.353 1.702 10 10 CDCEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000091666859 260266354 /nfs/dbraw/zinc/26/63/54/260266354.db2.gz TWIDBAMJVSMIEU-BBRMVZONSA-N 0 3 277.412 1.734 10 10 CDCEHN CN1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCC1=O ZINC000297750981 277205281 /nfs/dbraw/zinc/20/52/81/277205281.db2.gz OJXQWGPYGFMYBM-NEPJUHHUSA-N 0 3 260.337 1.590 10 10 CDCEHN CCCN(CCO)c1c(F)cc(CNC)cc1F ZINC000062712107 521668428 /nfs/dbraw/zinc/66/84/28/521668428.db2.gz SFWHLPIIDKHYCG-UHFFFAOYSA-N 0 3 258.312 1.893 10 10 CDCEHN C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914391674 631401490 /nfs/dbraw/zinc/40/14/90/631401490.db2.gz LJVMWXMTNPFTRE-SNVBAGLBSA-N 0 3 281.331 1.425 10 10 CDCEHN C[N@H+]1CCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914391674 631401494 /nfs/dbraw/zinc/40/14/94/631401494.db2.gz LJVMWXMTNPFTRE-SNVBAGLBSA-N 0 3 281.331 1.425 10 10 CDCEHN CO[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000826822148 678964961 /nfs/dbraw/zinc/96/49/61/678964961.db2.gz LEGGXQHZNKASKZ-HZMBPMFUSA-N 0 3 269.316 1.672 10 10 CDCEHN CO[C@H](C[N@H+](C)Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000851840236 677729592 /nfs/dbraw/zinc/72/95/92/677729592.db2.gz CXGHUVVPUWLFAZ-DZGCQCFKSA-N 0 3 265.353 1.876 10 10 CDCEHN CO[C@H](C[N@@H+](C)Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000851840236 677729595 /nfs/dbraw/zinc/72/95/95/677729595.db2.gz CXGHUVVPUWLFAZ-DZGCQCFKSA-N 0 3 265.353 1.876 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C1(CCO)CCOCC1 ZINC000779047153 677723140 /nfs/dbraw/zinc/72/31/40/677723140.db2.gz WOKCMPSQAMHMEA-UHFFFAOYSA-N 0 3 269.316 1.553 10 10 CDCEHN Oc1cc2c(cc1CN1CCOCC3(CC3)C1)[C@@H](O)CO2 ZINC000782303384 677935357 /nfs/dbraw/zinc/93/53/57/677935357.db2.gz ZUHUKULEGZLCAL-AWEZNQCLSA-N 0 3 291.347 1.430 10 10 CDCEHN C[C@@H]1C[C@H](N[C@@H]2CNOC2)c2c1c(F)ccc2O ZINC000925862873 677940302 /nfs/dbraw/zinc/94/03/02/677940302.db2.gz ZEFBLQYKTCBNAU-MRTMQBJTSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+][C@@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925862873 677940306 /nfs/dbraw/zinc/94/03/06/677940306.db2.gz ZEFBLQYKTCBNAU-MRTMQBJTSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CS1(=O)=O ZINC000850369538 678178677 /nfs/dbraw/zinc/17/86/77/678178677.db2.gz VZZNHMVIWAVQLO-CMPLNLGQSA-N 0 3 269.366 1.448 10 10 CDCEHN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000847405446 678041304 /nfs/dbraw/zinc/04/13/04/678041304.db2.gz KMZMRLKBHNUANJ-LBPRGKRZSA-N 0 3 293.386 1.850 10 10 CDCEHN COc1cccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840977554 678250045 /nfs/dbraw/zinc/25/00/45/678250045.db2.gz WCEQGZXRIUHYOF-ZDUSSCGKSA-N 0 3 292.379 1.890 10 10 CDCEHN COc1cccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840977554 678250047 /nfs/dbraw/zinc/25/00/47/678250047.db2.gz WCEQGZXRIUHYOF-ZDUSSCGKSA-N 0 3 292.379 1.890 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCNC2=O)c1[O-] ZINC000839196671 678292196 /nfs/dbraw/zinc/29/21/96/678292196.db2.gz WXIOFRGRQHNLTH-JTQLQIEISA-N 0 3 282.771 1.970 10 10 CDCEHN C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)ccc1[O-] ZINC000850506627 678351413 /nfs/dbraw/zinc/35/14/13/678351413.db2.gz GEKPUQCDCCNINW-ABAIWWIYSA-N 0 3 299.342 1.350 10 10 CDCEHN CN(C)C1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871203865 678383571 /nfs/dbraw/zinc/38/35/71/678383571.db2.gz UQKZFDFNHHQFIP-UHFFFAOYSA-N 0 3 260.337 1.719 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000776251071 678505571 /nfs/dbraw/zinc/50/55/71/678505571.db2.gz PKPQNKUDLKOJLU-MRVPVSSYSA-N 0 3 256.733 1.708 10 10 CDCEHN CN1C[C@H](CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000723538411 678898043 /nfs/dbraw/zinc/89/80/43/678898043.db2.gz CKSSMBHLQSXBOJ-DGCLKSJQSA-N 0 3 274.364 1.838 10 10 CDCEHN CN(C)c1ccc(CNC2CC(S(C)(=O)=O)C2)cc1 ZINC000716137684 678927015 /nfs/dbraw/zinc/92/70/15/678927015.db2.gz CBDSXDIYVKDGLJ-UHFFFAOYSA-N 0 3 282.409 1.418 10 10 CDCEHN CN(C)c1cc(F)c(CNC[C@@H]2CCC(=O)N2)cc1F ZINC000858193061 679563931 /nfs/dbraw/zinc/56/39/31/679563931.db2.gz TWQGDWUKAKSEGB-JTQLQIEISA-N 0 3 283.322 1.399 10 10 CDCEHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN1CCO ZINC000190244846 679591747 /nfs/dbraw/zinc/59/17/47/679591747.db2.gz RGZOOTMWVAYDPQ-AWEZNQCLSA-N 0 3 277.412 1.251 10 10 CDCEHN CN1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001629610244 1166150706 /nfs/dbraw/zinc/15/07/06/1166150706.db2.gz FJHPMVFVEYCFAA-GFCCVEGCSA-N 0 3 289.339 1.673 10 10 CDCEHN COC(=O)N(C)CCN(C)Cc1cc(C)cc(OC)c1O ZINC001118595125 937645513 /nfs/dbraw/zinc/64/55/13/937645513.db2.gz LYGHKSYPAYFCPY-UHFFFAOYSA-N 0 3 296.367 1.839 10 10 CDCEHN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN(C)C1 ZINC001166443777 939608962 /nfs/dbraw/zinc/60/89/62/939608962.db2.gz GOJSMFNBFPRZRE-GFCCVEGCSA-N 0 3 278.352 1.193 10 10 CDCEHN C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1ccccc1[O-] ZINC000405384246 940986145 /nfs/dbraw/zinc/98/61/45/940986145.db2.gz IYGLFNCHMBFYCU-JTQLQIEISA-N 0 3 262.309 1.192 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]CCOCCCO)c([O-])c1 ZINC001321859376 959989051 /nfs/dbraw/zinc/98/90/51/959989051.db2.gz XRBASKVSMUMGNM-GFCCVEGCSA-N 0 3 253.342 1.750 10 10 CDCEHN Nc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000367658837 358092684 /nfs/dbraw/zinc/09/26/84/358092684.db2.gz QOJOPUDZHGCLIX-GFCCVEGCSA-N 0 3 284.363 1.974 10 10 CDCEHN Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000367658837 358092685 /nfs/dbraw/zinc/09/26/85/358092685.db2.gz QOJOPUDZHGCLIX-GFCCVEGCSA-N 0 3 284.363 1.974 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1[O-] ZINC000282500560 364127372 /nfs/dbraw/zinc/12/73/72/364127372.db2.gz WPNFMINNEVSAPY-ONGXEEELSA-N 0 3 264.325 1.158 10 10 CDCEHN CCOc1ccc([O-])c(C[NH2+][C@](C)(CCO)COC)c1 ZINC000175850691 391141821 /nfs/dbraw/zinc/14/18/21/391141821.db2.gz ULSPEKHIMIVYMI-OAHLLOKOSA-N 0 3 283.368 1.668 10 10 CDCEHN CCOc1cccc(C[NH2+][C@](C)(CCO)COC)c1[O-] ZINC000175855804 391141909 /nfs/dbraw/zinc/14/19/09/391141909.db2.gz ZCCUXKMSGUVATG-OAHLLOKOSA-N 0 3 283.368 1.668 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)CC2 ZINC000527956857 393005604 /nfs/dbraw/zinc/00/56/04/393005604.db2.gz YBVWWCVTSVDBQU-KWCYVHTRSA-N 0 3 263.337 1.509 10 10 CDCEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000193127852 287224162 /nfs/dbraw/zinc/22/41/62/287224162.db2.gz BLEKUNSKZAJKPW-VXGBXAGGSA-N 0 3 290.363 1.797 10 10 CDCEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000193127852 287224165 /nfs/dbraw/zinc/22/41/65/287224165.db2.gz BLEKUNSKZAJKPW-VXGBXAGGSA-N 0 3 290.363 1.797 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1[O-] ZINC000038082701 174092103 /nfs/dbraw/zinc/09/21/03/174092103.db2.gz YRXVYXPSWPIRPI-VHSXEESVSA-N 0 3 285.365 1.183 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000377837149 329030983 /nfs/dbraw/zinc/03/09/83/329030983.db2.gz JODOQFIUUAXIGV-BYCMXARLSA-N 0 3 286.375 1.720 10 10 CDCEHN COCCN(C)CC[NH2+]Cc1ccc(OC)cc1[O-] ZINC000061377792 523608750 /nfs/dbraw/zinc/60/87/50/523608750.db2.gz HLYPJQMTOIFHGO-UHFFFAOYSA-N 0 3 268.357 1.069 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000084062245 524774844 /nfs/dbraw/zinc/77/48/44/524774844.db2.gz UMFUXFRTARFCRF-QWRGUYRKSA-N 0 3 278.352 1.672 10 10 CDCEHN COc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1[O-] ZINC000277728240 526035349 /nfs/dbraw/zinc/03/53/49/526035349.db2.gz JKUSDUBFFOHONX-ZYHUDNBSSA-N 0 3 251.326 1.915 10 10 CDCEHN [O-]c1c(O)cccc1C[NH2+]CCN1CCCCC1 ZINC000049575030 526358843 /nfs/dbraw/zinc/35/88/43/526358843.db2.gz DCBUGGLUKHCIKI-UHFFFAOYSA-N 0 3 250.342 1.673 10 10 CDCEHN CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000746687156 576789326 /nfs/dbraw/zinc/78/93/26/576789326.db2.gz ZOGWMPGLCYPORF-VIFPVBQESA-N 0 3 254.355 1.525 10 10 CDCEHN CC[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000746687156 576789328 /nfs/dbraw/zinc/78/93/28/576789328.db2.gz ZOGWMPGLCYPORF-VIFPVBQESA-N 0 3 254.355 1.525 10 10 CDCEHN C[C@@H](N[C@H]1CNOC1)c1cc2c(cc1O)CCCC2 ZINC000925868630 617924761 /nfs/dbraw/zinc/92/47/61/617924761.db2.gz FHXMINNTVBKPNM-MFKMUULPSA-N 0 3 262.353 1.825 10 10 CDCEHN O=C1CC2(CCC2)[N@H+](Cc2ccccc2[O-])CCN1 ZINC000895929051 619907237 /nfs/dbraw/zinc/90/72/37/619907237.db2.gz UPBOPDFKPAALIE-UHFFFAOYSA-N 0 3 260.337 1.637 10 10 CDCEHN O=C1CC2(CCC2)[N@@H+](Cc2ccccc2[O-])CCN1 ZINC000895929051 619907239 /nfs/dbraw/zinc/90/72/39/619907239.db2.gz UPBOPDFKPAALIE-UHFFFAOYSA-N 0 3 260.337 1.637 10 10 CDCEHN C[NH+]1C[C@@]2(C)CN(C(=O)c3cc([O-])cs3)C[C@]2(C)C1 ZINC000913278405 630421837 /nfs/dbraw/zinc/42/18/37/630421837.db2.gz GFHPABRQGQAYGC-KBPBESRZSA-N 0 3 280.393 1.868 10 10 CDCEHN CN1C[C@@]2(C)CN(C(=O)C3=CC(=O)CS3)C[C@]2(C)C1 ZINC000913278405 630421839 /nfs/dbraw/zinc/42/18/39/630421839.db2.gz GFHPABRQGQAYGC-KBPBESRZSA-N 0 3 280.393 1.868 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCC1 ZINC000929752869 679778241 /nfs/dbraw/zinc/77/82/41/679778241.db2.gz GONMKVIJEHEHDF-HNNXBMFYSA-N 0 3 279.380 1.880 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCC1 ZINC000929752869 679778244 /nfs/dbraw/zinc/77/82/44/679778244.db2.gz GONMKVIJEHEHDF-HNNXBMFYSA-N 0 3 279.380 1.880 10 10 CDCEHN CC(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000843427786 679852756 /nfs/dbraw/zinc/85/27/56/679852756.db2.gz MOANMINHXWWIMU-UHFFFAOYSA-N 0 3 270.760 1.922 10 10 CDCEHN CC(=O)NCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000843427786 679852757 /nfs/dbraw/zinc/85/27/57/679852757.db2.gz MOANMINHXWWIMU-UHFFFAOYSA-N 0 3 270.760 1.922 10 10 CDCEHN CC(=O)NCCN(C)Cc1cc(Cl)cc(C)c1O ZINC000843427786 679852759 /nfs/dbraw/zinc/85/27/59/679852759.db2.gz MOANMINHXWWIMU-UHFFFAOYSA-N 0 3 270.760 1.922 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000827281702 681524803 /nfs/dbraw/zinc/52/48/03/681524803.db2.gz JSFUVZMYCFEHCZ-IAQYHMDHSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000827281702 681524814 /nfs/dbraw/zinc/52/48/14/681524814.db2.gz JSFUVZMYCFEHCZ-IAQYHMDHSA-N 0 3 263.337 1.869 10 10 CDCEHN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CS1(=O)=O ZINC000827164023 681624920 /nfs/dbraw/zinc/62/49/20/681624920.db2.gz BIDFSWQXEFHZBP-BXKDBHETSA-N 0 3 287.356 1.587 10 10 CDCEHN COc1cc(C)cc(CN2CCC[C@H](NC(C)=O)C2)c1O ZINC000164138624 681897681 /nfs/dbraw/zinc/89/76/81/681897681.db2.gz DZWQNDLWJLEPDI-AWEZNQCLSA-N 0 3 292.379 1.810 10 10 CDCEHN CC[C@H]([NH2+]CCc1nnnn1C)c1ccccc1[O-] ZINC000775520557 681906801 /nfs/dbraw/zinc/90/68/01/681906801.db2.gz SVKPYGNQLXEGDB-NSHDSACASA-N 0 3 261.329 1.199 10 10 CDCEHN Cn1cnc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000313250095 682190211 /nfs/dbraw/zinc/19/02/11/682190211.db2.gz BETUPMREJLZVQL-CYBMUJFWSA-N 0 3 257.337 1.945 10 10 CDCEHN C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccccc1[O-] ZINC000866494128 682309754 /nfs/dbraw/zinc/30/97/54/682309754.db2.gz JLVVCETVWKSFGV-LLVKDONJSA-N 0 3 270.336 1.722 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)NCC23CC(C2)C[NH2+]3)c1 ZINC000854226993 682514105 /nfs/dbraw/zinc/51/41/05/682514105.db2.gz KGCKUCOYHXQZET-SGWRBKMISA-N 0 3 290.363 1.581 10 10 CDCEHN Cc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c(O)c1O ZINC000816955259 682621002 /nfs/dbraw/zinc/62/10/02/682621002.db2.gz YCAQQIQYICNPLG-CMPLNLGQSA-N 0 3 276.336 1.182 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000809743533 682800968 /nfs/dbraw/zinc/80/09/68/682800968.db2.gz UNEVEVGXKQCMFO-NSHDSACASA-N 0 3 279.258 1.804 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCC1 ZINC000929975316 682817481 /nfs/dbraw/zinc/81/74/81/682817481.db2.gz FFIONNAEXRAVHQ-ZDUSSCGKSA-N 0 3 251.326 1.100 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCC1 ZINC000929975316 682817480 /nfs/dbraw/zinc/81/74/80/682817480.db2.gz FFIONNAEXRAVHQ-ZDUSSCGKSA-N 0 3 251.326 1.100 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000724612931 682852152 /nfs/dbraw/zinc/85/21/52/682852152.db2.gz NIVRTVXTIUSHGP-CXTNEJHOSA-N 0 3 275.348 1.773 10 10 CDCEHN COc1cccc([O-])c1C[N@H+](C)CC1CN(C)C1 ZINC000827125286 683047613 /nfs/dbraw/zinc/04/76/13/683047613.db2.gz INFOGPUWQLONOV-UHFFFAOYSA-N 0 3 250.342 1.394 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+](C)CC1CN(C)C1 ZINC000827125286 683047622 /nfs/dbraw/zinc/04/76/22/683047622.db2.gz INFOGPUWQLONOV-UHFFFAOYSA-N 0 3 250.342 1.394 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000789766888 683367569 /nfs/dbraw/zinc/36/75/69/683367569.db2.gz CCJSZMDTEOKJPO-INIZCTEOSA-N 0 3 290.363 1.503 10 10 CDCEHN CCOc1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000789766888 683367575 /nfs/dbraw/zinc/36/75/75/683367575.db2.gz CCJSZMDTEOKJPO-INIZCTEOSA-N 0 3 290.363 1.503 10 10 CDCEHN Cc1cc(N(C)C)ccc1CNC(=O)C(N)C(F)(F)F ZINC000829764541 683465724 /nfs/dbraw/zinc/46/57/24/683465724.db2.gz OGUBBNVQQHBVQR-LLVKDONJSA-N 0 3 289.301 1.567 10 10 CDCEHN CCc1cccc(CN2CCN(CCO)[C@H](C)C2)c1O ZINC000848903881 683585928 /nfs/dbraw/zinc/58/59/28/683585928.db2.gz GEEMISJDDXKJAM-CYBMUJFWSA-N 0 3 278.396 1.453 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC000850344736 684102252 /nfs/dbraw/zinc/10/22/52/684102252.db2.gz UIVRFYQVIHHSRW-CZUORRHYSA-N 0 3 295.379 1.932 10 10 CDCEHN CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC001181839730 917411285 /nfs/dbraw/zinc/41/12/85/917411285.db2.gz ONZRPXWPCGEHLY-SECBINFHSA-N 0 3 254.355 1.620 10 10 CDCEHN CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC001181839730 917411291 /nfs/dbraw/zinc/41/12/91/917411291.db2.gz ONZRPXWPCGEHLY-SECBINFHSA-N 0 3 254.355 1.620 10 10 CDCEHN O[C@H]1COC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000323526059 942324958 /nfs/dbraw/zinc/32/49/58/942324958.db2.gz JBQDXXNVYSHKLQ-CABCVRRESA-N 0 3 262.353 1.136 10 10 CDCEHN CC(C)N1CCC[C@](O)(c2ccc(O)c(O)c2)C1 ZINC000013451623 356671268 /nfs/dbraw/zinc/67/12/68/356671268.db2.gz MBUKMBGVKHZMRE-CQSZACIVSA-N 0 3 251.326 1.790 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(CO)CO)c1[O-] ZINC000271884914 365002695 /nfs/dbraw/zinc/00/26/95/365002695.db2.gz VWRDHQKEVSIODY-UHFFFAOYSA-N 0 3 287.787 1.777 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](C)CC(C)(CO)CO)c1[O-] ZINC000271884914 365002697 /nfs/dbraw/zinc/00/26/97/365002697.db2.gz VWRDHQKEVSIODY-UHFFFAOYSA-N 0 3 287.787 1.777 10 10 CDCEHN CCCCN(CC(=O)NC(N)=O)Cc1ccccc1O ZINC000282383892 367859481 /nfs/dbraw/zinc/85/94/81/367859481.db2.gz GDNVCWKRPJGXAE-UHFFFAOYSA-N 0 3 279.340 1.189 10 10 CDCEHN Cn1cncc1CNCc1ccc2c(c1)CCN2C ZINC000370428937 372662551 /nfs/dbraw/zinc/66/25/51/372662551.db2.gz UYCIAWVVEGFHSI-UHFFFAOYSA-N 0 3 256.353 1.702 10 10 CDCEHN COC[C@](C)(CCO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000175851674 391142071 /nfs/dbraw/zinc/14/20/71/391142071.db2.gz SCKHEAKQZQCGPX-AWEZNQCLSA-N 0 3 269.341 1.278 10 10 CDCEHN CN(C)CCN1C(=O)/C(=C\c2ccc[nH]2)SC1=S ZINC000027230861 171511268 /nfs/dbraw/zinc/51/12/68/171511268.db2.gz YIVKNJYEAWEOMF-CSKARUKUSA-N 0 3 281.406 1.778 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCO1 ZINC000760541915 576492657 /nfs/dbraw/zinc/49/26/57/576492657.db2.gz UDDFORXWQWLNOV-RISCZKNCSA-N 0 3 279.336 1.429 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CCCO1 ZINC000760541915 576492659 /nfs/dbraw/zinc/49/26/59/576492659.db2.gz UDDFORXWQWLNOV-RISCZKNCSA-N 0 3 279.336 1.429 10 10 CDCEHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)COCCO2 ZINC000895694158 619801825 /nfs/dbraw/zinc/80/18/25/619801825.db2.gz CZIMTXZJZLBWBN-UHFFFAOYSA-N 0 3 293.363 1.782 10 10 CDCEHN CCOc1ccc(O)c(CN2CC[C@H](NC(=O)OC)C2)c1 ZINC000895850530 619872957 /nfs/dbraw/zinc/87/29/57/619872957.db2.gz MOBCXSLQVLVGIY-LBPRGKRZSA-N 0 3 294.351 1.721 10 10 CDCEHN CCOc1ccc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c([O-])c1 ZINC000825130216 685374023 /nfs/dbraw/zinc/37/40/23/685374023.db2.gz PPZNTVFIIZTPIL-WFASDCNBSA-N 0 3 295.379 1.763 10 10 CDCEHN CCOc1ccc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c([O-])c1 ZINC000825130216 685374027 /nfs/dbraw/zinc/37/40/27/685374027.db2.gz PPZNTVFIIZTPIL-WFASDCNBSA-N 0 3 295.379 1.763 10 10 CDCEHN CC[S@](=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168766318 684465449 /nfs/dbraw/zinc/46/54/49/684465449.db2.gz JJOTVWVWTQWRGP-HUTHGQBESA-N 0 3 259.346 1.951 10 10 CDCEHN CNC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000398519728 684726515 /nfs/dbraw/zinc/72/65/15/684726515.db2.gz VAOJIMNRJBRWAB-VIFPVBQESA-N 0 3 298.770 1.622 10 10 CDCEHN CNC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000398519728 684726523 /nfs/dbraw/zinc/72/65/23/684726523.db2.gz VAOJIMNRJBRWAB-VIFPVBQESA-N 0 3 298.770 1.622 10 10 CDCEHN C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000720496749 684808176 /nfs/dbraw/zinc/80/81/76/684808176.db2.gz RGCNPOKNYCOWTC-SNVBAGLBSA-N 0 3 265.309 1.732 10 10 CDCEHN COCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000787336114 684837432 /nfs/dbraw/zinc/83/74/32/684837432.db2.gz YZSDWRDSAQEOBB-CYBMUJFWSA-N 0 3 251.326 1.630 10 10 CDCEHN COCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000787336114 684837433 /nfs/dbraw/zinc/83/74/33/684837433.db2.gz YZSDWRDSAQEOBB-CYBMUJFWSA-N 0 3 251.326 1.630 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c([O-])c1 ZINC000927134499 685819175 /nfs/dbraw/zinc/81/91/75/685819175.db2.gz JAONYIROFPRKLU-IAQYHMDHSA-N 0 3 275.352 1.818 10 10 CDCEHN Cc1cccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000846102389 686354973 /nfs/dbraw/zinc/35/49/73/686354973.db2.gz FCDOUGBIBDNSKJ-PRXAMGSTSA-N 0 3 251.351 1.406 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(COC3)C1)[C@@H](O)CO2 ZINC000853598029 686843377 /nfs/dbraw/zinc/84/33/77/686843377.db2.gz OHNKCINQSHDNJC-ZDUSSCGKSA-N 0 3 277.320 1.040 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CCC3(COC3)C1)[C@@H](O)CO2 ZINC000853598029 686843378 /nfs/dbraw/zinc/84/33/78/686843378.db2.gz OHNKCINQSHDNJC-ZDUSSCGKSA-N 0 3 277.320 1.040 10 10 CDCEHN Nc1ccc(CCNC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000851631411 686869657 /nfs/dbraw/zinc/86/96/57/686869657.db2.gz AUADVSPGRVVETL-UHFFFAOYSA-N 0 3 273.380 1.589 10 10 CDCEHN CN1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779516147 687034424 /nfs/dbraw/zinc/03/44/24/687034424.db2.gz VGVANUPAVQXSES-HWPRWLFBSA-N 0 3 276.336 1.321 10 10 CDCEHN CCOc1ccc(C[NH2+]CCCc2ncn(C)n2)c([O-])c1 ZINC000842737251 687087232 /nfs/dbraw/zinc/08/72/32/687087232.db2.gz LMFUREFXAOUXOM-UHFFFAOYSA-N 0 3 290.367 1.642 10 10 CDCEHN O=C(C[NH2+]Cc1ccccc1[O-])NCc1ccco1 ZINC000238096177 687148120 /nfs/dbraw/zinc/14/81/20/687148120.db2.gz NJCMYRVFUNWHMZ-UHFFFAOYSA-N 0 3 260.293 1.391 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC000862756463 687748556 /nfs/dbraw/zinc/74/85/56/687748556.db2.gz YSBVJTRXQMIBDS-GFCCVEGCSA-N 0 3 262.353 1.659 10 10 CDCEHN COC[C@](C)(CO)NCc1ccc(OC)c(C)c1 ZINC000716873522 688157845 /nfs/dbraw/zinc/15/78/45/688157845.db2.gz PSHZYDCDHNZGGK-AWEZNQCLSA-N 0 3 253.342 1.491 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000093740291 342426191 /nfs/dbraw/zinc/42/61/91/342426191.db2.gz BHEGQDFQLUKIMP-HNNXBMFYSA-N 0 3 278.396 1.589 10 10 CDCEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(N)cc1 ZINC000364213776 358088411 /nfs/dbraw/zinc/08/84/11/358088411.db2.gz JKXRCDRRYSZEAI-IOASZLSFSA-N 0 3 289.379 1.740 10 10 CDCEHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCO1 ZINC000042879600 358983771 /nfs/dbraw/zinc/98/37/71/358983771.db2.gz JNJKVWLTIOCURF-CABZTGNLSA-N 0 3 265.309 1.778 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000282459054 364107994 /nfs/dbraw/zinc/10/79/94/364107994.db2.gz SZMKBCWDAFCEHZ-GWCFXTLKSA-N 0 3 260.337 1.378 10 10 CDCEHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)NC)CC2)c1 ZINC000122534360 390903053 /nfs/dbraw/zinc/90/30/53/390903053.db2.gz FDFCVSKBLKQVNY-UHFFFAOYSA-N 0 3 292.379 1.749 10 10 CDCEHN CCC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000183418723 391264441 /nfs/dbraw/zinc/26/44/41/391264441.db2.gz ZQIPQDPSWBHDCS-YPMHNXCESA-N 0 3 294.395 1.875 10 10 CDCEHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000035628493 172307243 /nfs/dbraw/zinc/30/72/43/172307243.db2.gz XBPQETPZCAZBQF-GHMZBOCLSA-N 0 3 269.366 1.538 10 10 CDCEHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000768461395 576286500 /nfs/dbraw/zinc/28/65/00/576286500.db2.gz UHJVFEVYWQEADX-SNVBAGLBSA-N 0 3 265.309 1.396 10 10 CDCEHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000768461395 576286502 /nfs/dbraw/zinc/28/65/02/576286502.db2.gz UHJVFEVYWQEADX-SNVBAGLBSA-N 0 3 265.309 1.396 10 10 CDCEHN C[N@@H+]1CC[C@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928705384 693873022 /nfs/dbraw/zinc/87/30/22/693873022.db2.gz IFYKJIVKKSBPDL-SNVBAGLBSA-N 0 3 266.316 1.489 10 10 CDCEHN C[N@H+]1CC[C@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928705384 693873023 /nfs/dbraw/zinc/87/30/23/693873023.db2.gz IFYKJIVKKSBPDL-SNVBAGLBSA-N 0 3 266.316 1.489 10 10 CDCEHN C[NH+]1CCC2(CCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000854497972 694179288 /nfs/dbraw/zinc/17/92/88/694179288.db2.gz FXMGIKOBJZACBQ-UHFFFAOYSA-N 0 3 290.363 1.656 10 10 CDCEHN C[C@H]([NH2+]C[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000879650209 688576315 /nfs/dbraw/zinc/57/63/15/688576315.db2.gz PMPKWQGJJZOGEB-SMDDNHRTSA-N 0 3 251.326 1.584 10 10 CDCEHN Cc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c(O)c1O ZINC000816955261 692274261 /nfs/dbraw/zinc/27/42/61/692274261.db2.gz YCAQQIQYICNPLG-PWSUYJOCSA-N 0 3 276.336 1.182 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CCC[C@@](O)(CO)C2)cc1 ZINC000839156687 692292030 /nfs/dbraw/zinc/29/20/30/692292030.db2.gz LUZUWQRGXFCDBV-IVZVJUQRSA-N 0 3 290.407 1.585 10 10 CDCEHN CN(C)c1ccc(/C=C/CN(C)CC(C)(CO)CO)cc1 ZINC000835027099 692481180 /nfs/dbraw/zinc/48/11/80/692481180.db2.gz ZSKIODSFZSGXIW-AATRIKPKSA-N 0 3 292.423 1.689 10 10 CDCEHN C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CS1(=O)=O ZINC000850369542 692544193 /nfs/dbraw/zinc/54/41/93/692544193.db2.gz VZZNHMVIWAVQLO-PWSUYJOCSA-N 0 3 269.366 1.448 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CCC[C@@]([NH3+])(CO)C2)c1[O-] ZINC000923478478 692850954 /nfs/dbraw/zinc/85/09/54/692850954.db2.gz BSPPWICNDKDFIV-HNNXBMFYSA-N 0 3 296.342 1.020 10 10 CDCEHN COC(=O)[C@H]1CSCC[N@H+](Cc2ccccc2[O-])C1 ZINC000840978767 692874554 /nfs/dbraw/zinc/87/45/54/692874554.db2.gz VVIAIOBWIHHFJX-GFCCVEGCSA-N 0 3 281.377 1.730 10 10 CDCEHN COC(=O)[C@H]1CSCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840978767 692874555 /nfs/dbraw/zinc/87/45/55/692874555.db2.gz VVIAIOBWIHHFJX-GFCCVEGCSA-N 0 3 281.377 1.730 10 10 CDCEHN CN1C[C@H](CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000723538413 692920166 /nfs/dbraw/zinc/92/01/66/692920166.db2.gz CKSSMBHLQSXBOJ-YPMHNXCESA-N 0 3 274.364 1.838 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC[C@H]1CCOC1 ZINC000784663174 692936943 /nfs/dbraw/zinc/93/69/43/692936943.db2.gz LAHZBVVNHBRILJ-NSHDSACASA-N 0 3 251.326 1.917 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2C)c2c1c(F)ccc2[O-] ZINC000858523163 692967195 /nfs/dbraw/zinc/96/71/95/692967195.db2.gz NZTFTCKBADYFRW-WZRBSPASSA-N 0 3 294.370 2.000 10 10 CDCEHN CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000714250232 693113375 /nfs/dbraw/zinc/11/33/75/693113375.db2.gz JYEXWNSZBTXNCK-XYPYZODXSA-N 0 3 273.329 1.197 10 10 CDCEHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000800309318 693370091 /nfs/dbraw/zinc/37/00/91/693370091.db2.gz HQWSUDNEVSVGCX-AAEUAGOBSA-N 0 3 298.408 1.200 10 10 CDCEHN CCOc1ccc(C[N@H+](C[C@@H](O)CO)C(C)C)c([O-])c1 ZINC000817417432 693397987 /nfs/dbraw/zinc/39/79/87/693397987.db2.gz GXSOUVWDDXHCKZ-CYBMUJFWSA-N 0 3 283.368 1.355 10 10 CDCEHN CCOc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)C)c([O-])c1 ZINC000817417432 693397991 /nfs/dbraw/zinc/39/79/91/693397991.db2.gz GXSOUVWDDXHCKZ-CYBMUJFWSA-N 0 3 283.368 1.355 10 10 CDCEHN C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000846187704 693424319 /nfs/dbraw/zinc/42/43/19/693424319.db2.gz BGPOVDLSJRZKHG-MRTMQBJTSA-N 0 3 252.289 1.446 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000929975328 694634153 /nfs/dbraw/zinc/63/41/53/694634153.db2.gz FLULKHRSTVVDGH-AWEZNQCLSA-N 0 3 279.380 1.880 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CCC1(O)CCC1 ZINC000929975328 694634155 /nfs/dbraw/zinc/63/41/55/694634155.db2.gz FLULKHRSTVVDGH-AWEZNQCLSA-N 0 3 279.380 1.880 10 10 CDCEHN C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000848391105 694639870 /nfs/dbraw/zinc/63/98/70/694639870.db2.gz VNFPSAXSBPHUMB-DTORHVGOSA-N 0 3 254.355 1.524 10 10 CDCEHN COCC1(C[NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000848564073 694834519 /nfs/dbraw/zinc/83/45/19/694834519.db2.gz BDDPCVKGDXVXPF-UHFFFAOYSA-N 0 3 251.326 1.917 10 10 CDCEHN O=C1NCCC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000921627097 694855649 /nfs/dbraw/zinc/85/56/49/694855649.db2.gz FRMXHMHDKAEAAP-ZDUSSCGKSA-N 0 3 260.337 1.380 10 10 CDCEHN C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000846187707 694861360 /nfs/dbraw/zinc/86/13/60/694861360.db2.gz BGPOVDLSJRZKHG-OYNCUSHFSA-N 0 3 252.289 1.446 10 10 CDCEHN CC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844013 694867686 /nfs/dbraw/zinc/86/76/86/694867686.db2.gz MXJXDKFDSSEZAC-BXUZGUMPSA-N 0 3 277.368 1.127 10 10 CDCEHN CO[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000842752083 723302492 /nfs/dbraw/zinc/30/24/92/723302492.db2.gz GMDPKPHFIPNCCJ-HZPDHXFCSA-N 0 3 292.379 1.027 10 10 CDCEHN C[C@@H]1[NH2+]CC[C@H]1NCc1cc(Br)ccc1[O-] ZINC000863487935 723180458 /nfs/dbraw/zinc/18/04/58/723180458.db2.gz ZECFBVWWXUHXKU-GZMMTYOYSA-N 0 3 285.185 1.995 10 10 CDCEHN C[C@@H](N[C@@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434974 723570628 /nfs/dbraw/zinc/57/06/28/723570628.db2.gz VIYMDBKXWLKXPT-PWSUYJOCSA-N 0 3 261.325 1.510 10 10 CDCEHN CCOc1cccc(CNC[C@H](O)C(F)(F)F)c1O ZINC000227439473 911771230 /nfs/dbraw/zinc/77/12/30/911771230.db2.gz GOFLEQABAZLRHX-JTQLQIEISA-N 0 3 279.258 1.804 10 10 CDCEHN COc1ccc(CN[C@H](CO)CNC(=O)C(C)C)cc1C ZINC001485974561 920622357 /nfs/dbraw/zinc/62/23/57/920622357.db2.gz GCVHMNDOPREUCO-AWEZNQCLSA-N 0 3 294.395 1.226 10 10 CDCEHN Cc1ccc(O)c(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000843429423 937149287 /nfs/dbraw/zinc/14/92/87/937149287.db2.gz VIVBIXYEBPLFAR-CYBMUJFWSA-N 0 3 291.395 1.252 10 10 CDCEHN C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508404 927437571 /nfs/dbraw/zinc/43/75/71/927437571.db2.gz NEPPUXVKEYDZIL-SWLSCSKDSA-N 0 3 281.352 1.211 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c([O-])c1 ZINC000850507272 927438217 /nfs/dbraw/zinc/43/82/17/927438217.db2.gz IKAOEWRLCPPYLT-BBRMVZONSA-N 0 3 295.379 1.519 10 10 CDCEHN C[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)c2c1c(F)ccc2[O-] ZINC000853237299 927990642 /nfs/dbraw/zinc/99/06/42/927990642.db2.gz VSBKJQDFDKIDBM-HGNGGELXSA-N 0 3 264.300 1.558 10 10 CDCEHN CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000404175985 940955209 /nfs/dbraw/zinc/95/52/09/940955209.db2.gz SANMQBMNRSTPSB-ZFWWWQNUSA-N 0 3 265.353 1.974 10 10 CDCEHN COC(=O)N(C)CCN(C)Cc1cc(OC)c(C)cc1O ZINC001330046912 956249598 /nfs/dbraw/zinc/24/95/98/956249598.db2.gz SFBSWSSBIOBMHG-UHFFFAOYSA-N 0 3 296.367 1.839 10 10 CDCEHN COc1ccc([O-])c(C[N@H+](C)CC2(CO)CC2)c1 ZINC000188949190 357955119 /nfs/dbraw/zinc/95/51/19/357955119.db2.gz FOLSHSVOLKDCBG-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN COc1ccc([O-])c(C[N@@H+](C)CC2(CO)CC2)c1 ZINC000188949190 357955120 /nfs/dbraw/zinc/95/51/20/357955120.db2.gz FOLSHSVOLKDCBG-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272378078 365212116 /nfs/dbraw/zinc/21/21/16/365212116.db2.gz FGVKMCGZHSAYJC-CFNZNRNTSA-N 0 3 290.363 1.664 10 10 CDCEHN CN1CCc2cc(CNC3CCS(=O)(=O)CC3)ccc21 ZINC000050286536 390827013 /nfs/dbraw/zinc/82/70/13/390827013.db2.gz PQSGBLCYLJNFAN-UHFFFAOYSA-N 0 3 294.420 1.346 10 10 CDCEHN CCOc1cccc(C[NH2+]CC2CC(O)C2)c1[O-] ZINC000091426179 334378092 /nfs/dbraw/zinc/37/80/92/334378092.db2.gz JQABXZIILAGGGZ-UHFFFAOYSA-N 0 3 251.326 1.651 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]1O)OCO2 ZINC000089151327 526337129 /nfs/dbraw/zinc/33/71/29/526337129.db2.gz PPQSUOSRFPRFCR-ONGXEEELSA-N 0 3 265.309 1.372 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128569205 526372244 /nfs/dbraw/zinc/37/22/44/526372244.db2.gz SPZKPFMIFDUFMD-CYBMUJFWSA-N 0 3 272.352 1.896 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128569205 526372253 /nfs/dbraw/zinc/37/22/53/526372253.db2.gz SPZKPFMIFDUFMD-CYBMUJFWSA-N 0 3 272.352 1.896 10 10 CDCEHN C[C@H](NCC[S@@](C)=O)c1ccc(N2CCOCC2)cc1 ZINC000766050642 576074290 /nfs/dbraw/zinc/07/42/90/576074290.db2.gz QKWSNWDHBTUZKZ-RNODOKPDSA-N 0 3 296.436 1.552 10 10 CDCEHN CCOc1ccc(CN2CCN3CCOC[C@H]3C2)c(O)c1 ZINC000757927824 577061452 /nfs/dbraw/zinc/06/14/52/577061452.db2.gz LQSJUDATNDNMBQ-CQSZACIVSA-N 0 3 292.379 1.307 10 10 CDCEHN Cc1cc([O-])c(CN2CCCO[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000841101253 618682946 /nfs/dbraw/zinc/68/29/46/618682946.db2.gz UILJZTHNBOHNIP-NSHDSACASA-N 0 3 284.787 1.904 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CNCC[C@@H]2C)c1 ZINC000817969237 695331414 /nfs/dbraw/zinc/33/14/14/695331414.db2.gz SOFDDFRDBOQYOA-COPLHBTASA-N 0 3 292.379 1.827 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817969237 695331429 /nfs/dbraw/zinc/33/14/29/695331429.db2.gz SOFDDFRDBOQYOA-COPLHBTASA-N 0 3 292.379 1.827 10 10 CDCEHN CO[C@H](C[NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000826822149 695379500 /nfs/dbraw/zinc/37/95/00/695379500.db2.gz LEGGXQHZNKASKZ-IINYFYTJSA-N 0 3 269.316 1.672 10 10 CDCEHN COC1(OC)CC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000710893821 695498553 /nfs/dbraw/zinc/49/85/53/695498553.db2.gz KEOVTRUNARLNJY-CQSZACIVSA-N 0 3 264.369 1.994 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccccc1[O-] ZINC000866413600 695917877 /nfs/dbraw/zinc/91/78/77/695917877.db2.gz JAXSREBFCLLGRC-OLZOCXBDSA-N 0 3 278.396 1.888 10 10 CDCEHN Cc1ccc([C@H](C)N[C@H](CO)c2ccnn2C)c(O)c1 ZINC000858434815 723744698 /nfs/dbraw/zinc/74/46/98/723744698.db2.gz QDMDJLKLSDYVMX-WCQYABFASA-N 0 3 275.352 1.818 10 10 CDCEHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299695 724014085 /nfs/dbraw/zinc/01/40/85/724014085.db2.gz ICMSSBBSGKXOOA-CQSZACIVSA-N 0 3 292.383 1.501 10 10 CDCEHN Cc1cc(Cl)cc(CN2CCN(CCO)C[C@@H]2C)c1O ZINC000825337217 724563356 /nfs/dbraw/zinc/56/33/56/724563356.db2.gz DZYKQMAMIJMDNA-LBPRGKRZSA-N 0 3 298.814 1.852 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C2COCCOC2)c([O-])c1 ZINC000310837523 724574556 /nfs/dbraw/zinc/57/45/56/724574556.db2.gz MYUSSEMSYCWPLX-NSHDSACASA-N 0 3 251.326 1.767 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CNCCO1 ZINC000852745103 724822342 /nfs/dbraw/zinc/82/23/42/724822342.db2.gz OWLIOWVENCRIPP-CQSZACIVSA-N 0 3 264.369 1.593 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CNCCO1 ZINC000852745103 724822345 /nfs/dbraw/zinc/82/23/45/724822345.db2.gz OWLIOWVENCRIPP-CQSZACIVSA-N 0 3 264.369 1.593 10 10 CDCEHN CNC(=O)CCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000779032476 724314651 /nfs/dbraw/zinc/31/46/51/724314651.db2.gz JJRROBFMOSAYNE-UHFFFAOYSA-N 0 3 292.379 1.509 10 10 CDCEHN CNC(=O)[C@@H](NCc1ccc(OC)c(C)c1)C(C)C ZINC000776252504 725169438 /nfs/dbraw/zinc/16/94/38/725169438.db2.gz CEYSRNNKKLGOBL-AWEZNQCLSA-N 0 3 264.369 1.864 10 10 CDCEHN Cc1cccc(CN2CCN(CCO)C[C@@H]2C)c1O ZINC000825338126 725350412 /nfs/dbraw/zinc/35/04/12/725350412.db2.gz MELDLKUBSDNXBQ-ZDUSSCGKSA-N 0 3 264.369 1.199 10 10 CDCEHN CCN(C[C@@H]1CNCCO1)c1ccc(OC)c(OC)c1 ZINC000852744947 725361015 /nfs/dbraw/zinc/36/10/15/725361015.db2.gz LLLBMMCLEXMDFI-ZDUSSCGKSA-N 0 3 280.368 1.519 10 10 CDCEHN COC(=O)N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000228353930 725396500 /nfs/dbraw/zinc/39/65/00/725396500.db2.gz RYVBOPNFWAHAEZ-NSHDSACASA-N 0 3 250.298 1.323 10 10 CDCEHN COC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000228353930 725396503 /nfs/dbraw/zinc/39/65/03/725396503.db2.gz RYVBOPNFWAHAEZ-NSHDSACASA-N 0 3 250.298 1.323 10 10 CDCEHN CCOCc1cc(CNC2COCCOC2)ccc1OC ZINC000813789661 725483655 /nfs/dbraw/zinc/48/36/55/725483655.db2.gz XFJAPKMDOSKOND-UHFFFAOYSA-N 0 3 295.379 1.737 10 10 CDCEHN Oc1ccc(F)cc1CN1CC[C@@](O)(C(F)F)C1 ZINC000824726801 725545613 /nfs/dbraw/zinc/54/56/13/725545613.db2.gz USVMXDVJOPEOHY-LBPRGKRZSA-N 0 3 261.243 1.733 10 10 CDCEHN C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])CS1(=O)=O ZINC000850369544 725710170 /nfs/dbraw/zinc/71/01/70/725710170.db2.gz VZZNHMVIWAVQLO-ZYHUDNBSSA-N 0 3 269.366 1.448 10 10 CDCEHN CCOc1ccc(C[NH2+]CC[C@H](COC)OC)c([O-])c1 ZINC000850345426 725986304 /nfs/dbraw/zinc/98/63/04/725986304.db2.gz ZYMALHSILVXEFG-CQSZACIVSA-N 0 3 283.368 1.932 10 10 CDCEHN CC(C)[C@H](C(=O)NCc1cccc(O)c1O)N(C)C ZINC001123888739 936240217 /nfs/dbraw/zinc/24/02/17/936240217.db2.gz KHIZEXVTDNOHFU-GFCCVEGCSA-N 0 3 266.341 1.300 10 10 CDCEHN CN(CCNCCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493809064 972116997 /nfs/dbraw/zinc/11/69/97/972116997.db2.gz DKURTHJGSSFMMU-UHFFFAOYSA-N 0 3 295.318 1.480 10 10 CDCEHN CCOc1ccc(O)c(CN2CCNC(=O)CC2(C)C)c1 ZINC001331586275 957151806 /nfs/dbraw/zinc/15/18/06/957151806.db2.gz XTXKHGKGTOREOG-UHFFFAOYSA-N 0 3 292.379 1.891 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([O-])cs3)[C@H]2C1 ZINC001347596409 965610645 /nfs/dbraw/zinc/61/06/45/965610645.db2.gz FAKZTQHNMMYZRQ-INTQDDNPSA-N 0 3 266.366 1.524 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([O-])cs3)[C@H]2C1 ZINC001347596409 965610652 /nfs/dbraw/zinc/61/06/52/965610652.db2.gz FAKZTQHNMMYZRQ-INTQDDNPSA-N 0 3 266.366 1.524 10 10 CDCEHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)C(F)F ZINC000295022119 199304806 /nfs/dbraw/zinc/30/48/06/199304806.db2.gz KRAMAHAOAMRLHC-QPUJVOFHSA-N 0 3 289.278 1.615 10 10 CDCEHN COc1cccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000295059911 199324810 /nfs/dbraw/zinc/32/48/10/199324810.db2.gz GLKRDRASUPTBKF-HIFRSBDPSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295059911 199324812 /nfs/dbraw/zinc/32/48/12/199324812.db2.gz GLKRDRASUPTBKF-HIFRSBDPSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295059911 199324814 /nfs/dbraw/zinc/32/48/14/199324814.db2.gz GLKRDRASUPTBKF-HIFRSBDPSA-N 0 3 292.379 1.306 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000374159266 391151294 /nfs/dbraw/zinc/15/12/94/391151294.db2.gz LYKWZGNSHNUHKX-BNOWGMLFSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000374159266 391151296 /nfs/dbraw/zinc/15/12/96/391151296.db2.gz LYKWZGNSHNUHKX-BNOWGMLFSA-N 0 3 274.364 1.800 10 10 CDCEHN CN1CCO[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297127074 277128318 /nfs/dbraw/zinc/12/83/18/277128318.db2.gz YVKZOIOVBPCQLQ-OLZOCXBDSA-N 0 3 262.353 1.300 10 10 CDCEHN CC[C@@H](C)N1CCN(Cc2cc(N)ccc2O)CC1 ZINC000055063471 522126386 /nfs/dbraw/zinc/12/63/86/522126386.db2.gz DCGWMUPQIRSKOQ-GFCCVEGCSA-N 0 3 263.385 1.891 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[O-] ZINC000278990411 524870365 /nfs/dbraw/zinc/87/03/65/524870365.db2.gz ALIGPEIVOPXQDD-QMTHXVAHSA-N 0 3 285.771 1.984 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@H](CO)C1CCCC1)OCO2 ZINC000289543497 527582250 /nfs/dbraw/zinc/58/22/50/527582250.db2.gz JXCGRCVPNPBXJG-GFCCVEGCSA-N 0 3 279.336 1.762 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895323027 619556812 /nfs/dbraw/zinc/55/68/12/619556812.db2.gz XXWJBWRQQOMDEB-IYKSTZQJSA-N 0 3 287.407 1.880 10 10 CDCEHN C[C@H](NC(=O)C(N)C(F)(F)F)c1ccccc1O ZINC000870988434 620565530 /nfs/dbraw/zinc/56/55/30/620565530.db2.gz PDWAVYJNCADWBD-IMTBSYHQSA-N 0 3 262.231 1.459 10 10 CDCEHN CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccccc1[O-] ZINC000786946002 726019398 /nfs/dbraw/zinc/01/93/98/726019398.db2.gz PETVWZAOWXCBAD-ZDUSSCGKSA-N 0 3 283.393 1.868 10 10 CDCEHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)CS(N)(=O)=O ZINC000866571201 726299977 /nfs/dbraw/zinc/29/99/77/726299977.db2.gz ANNLZWTWGGXYBH-LLVKDONJSA-N 0 3 298.408 1.284 10 10 CDCEHN COc1ccc(CNCc2cnc(C)nc2)c(O)c1 ZINC000793386751 726859352 /nfs/dbraw/zinc/85/93/52/726859352.db2.gz YWUSIGDKDSYXJL-UHFFFAOYSA-N 0 3 259.309 1.789 10 10 CDCEHN COc1ccc(C[NH2+]Cc2cnc(C)nc2)c([O-])c1 ZINC000793386751 726859353 /nfs/dbraw/zinc/85/93/53/726859353.db2.gz YWUSIGDKDSYXJL-UHFFFAOYSA-N 0 3 259.309 1.789 10 10 CDCEHN CN(C)c1ccc(CN[C@@H]2CNCCC2(F)F)cc1F ZINC000841075822 727033781 /nfs/dbraw/zinc/03/37/81/727033781.db2.gz XXLMDDVZJHYBIJ-CYBMUJFWSA-N 0 3 287.329 1.979 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(F)ccc1[O-] ZINC000094618297 727071558 /nfs/dbraw/zinc/07/15/58/727071558.db2.gz XYLVARBHVRLAON-WPRPVWTQSA-N 0 3 252.289 1.461 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c([O-])c1 ZINC000850507281 727356949 /nfs/dbraw/zinc/35/69/49/727356949.db2.gz IKAOEWRLCPPYLT-CJNGLKHVSA-N 0 3 295.379 1.519 10 10 CDCEHN CO[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H]1O ZINC000825017627 727395158 /nfs/dbraw/zinc/39/51/58/727395158.db2.gz WHNBTEBUCYGUIS-VXGBXAGGSA-N 0 3 271.744 1.546 10 10 CDCEHN CCCN(Cc1ccccc1O)[C@H]1CCN(OC)C1=O ZINC000929753818 728056103 /nfs/dbraw/zinc/05/61/03/728056103.db2.gz WOGOLRNPSFRJBT-ZDUSSCGKSA-N 0 3 278.352 1.767 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]CCCn1ccnn1)CC2 ZINC000389202292 936645880 /nfs/dbraw/zinc/64/58/80/936645880.db2.gz ROWSSXOIZRSKOU-LBPRGKRZSA-N 0 3 258.325 1.651 10 10 CDCEHN CCOc1cccc(CN2CCNC(=O)CC2(C)C)c1O ZINC001353593925 968089756 /nfs/dbraw/zinc/08/97/56/968089756.db2.gz UXSAPGIIPUWZDF-UHFFFAOYSA-N 0 3 292.379 1.891 10 10 CDCEHN c1cc(CNC[C@@H]2CN(C3CC3)CCO2)cc2c1OCC2 ZINC000069920104 356832611 /nfs/dbraw/zinc/83/26/11/356832611.db2.gz IPKDHLCFPMWKAD-MRXNPFEDSA-N 0 3 288.391 1.574 10 10 CDCEHN COc1cccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1[O-] ZINC000179686044 357220747 /nfs/dbraw/zinc/22/07/47/357220747.db2.gz CHOBSCHQGHEMQK-UHFFFAOYSA-N 0 3 292.379 1.701 10 10 CDCEHN CCC[C@@H](C(=O)NCc1cccc(OC)c1O)N(C)C ZINC000131478696 283474505 /nfs/dbraw/zinc/47/45/05/283474505.db2.gz ZXYZAXRURVWXQJ-LBPRGKRZSA-N 0 3 280.368 1.747 10 10 CDCEHN O=C1OCCN1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297710197 372014522 /nfs/dbraw/zinc/01/45/22/372014522.db2.gz MTJLSGINUHLBMB-LBPRGKRZSA-N 0 3 276.336 1.811 10 10 CDCEHN Cc1cc(O)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1C ZINC000120605752 390873431 /nfs/dbraw/zinc/87/34/31/390873431.db2.gz NHSKMTACWLYMMY-HUUCEWRRSA-N 0 3 292.423 1.896 10 10 CDCEHN C[C@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000277646482 334816448 /nfs/dbraw/zinc/81/64/48/334816448.db2.gz DIVDZHUXQMUANR-ONGXEEELSA-N 0 3 265.309 1.636 10 10 CDCEHN CCN1CC[C@H]2OCCN(Cc3cc(C)ccc3O)[C@H]2C1 ZINC000293516979 521723077 /nfs/dbraw/zinc/72/30/77/521723077.db2.gz ATQUJIDSQVICGV-DOTOQJQBSA-N 0 3 290.407 1.996 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000071264706 522424650 /nfs/dbraw/zinc/42/46/50/522424650.db2.gz KRWZMSONFIPEKQ-UWVGGRQHSA-N 0 3 255.314 1.059 10 10 CDCEHN CCOc1ccc(C[NH2+][C@](C)(CCO)COC)c([O-])c1 ZINC000749923217 576968305 /nfs/dbraw/zinc/96/83/05/576968305.db2.gz QRSUUMYPUIFBPG-OAHLLOKOSA-N 0 3 283.368 1.668 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@H]2C(=O)NCC2(C)C)cc1 ZINC000895323046 619557186 /nfs/dbraw/zinc/55/71/86/619557186.db2.gz XXWJBWRQQOMDEB-YVACAVLKSA-N 0 3 287.407 1.880 10 10 CDCEHN C[C@H]1COCCN1CC[N@H+](C)Cc1ccccc1[O-] ZINC000191571914 1184535396 /nfs/dbraw/zinc/53/53/96/1184535396.db2.gz HYFVRJJWKFRAJS-ZDUSSCGKSA-N 0 3 264.369 1.545 10 10 CDCEHN C[C@H]1COCCN1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000191571914 1184535400 /nfs/dbraw/zinc/53/54/00/1184535400.db2.gz HYFVRJJWKFRAJS-ZDUSSCGKSA-N 0 3 264.369 1.545 10 10 CDCEHN CCCN(Cc1ccccc1O)[C@@H]1CCN(OC)C1=O ZINC000929753817 728411206 /nfs/dbraw/zinc/41/12/06/728411206.db2.gz WOGOLRNPSFRJBT-CYBMUJFWSA-N 0 3 278.352 1.767 10 10 CDCEHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1[NH3+] ZINC000235680482 728548969 /nfs/dbraw/zinc/54/89/69/728548969.db2.gz ANTFECHVKDRKQP-KWQFWETISA-N 0 3 285.185 1.934 10 10 CDCEHN Cc1cc([O-])c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000843056023 729071185 /nfs/dbraw/zinc/07/11/85/729071185.db2.gz CIVMDZPBWOZKSW-IINYFYTJSA-N 0 3 284.787 1.902 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CCOC3(CNC3)C2)cc1 ZINC000853250081 729242557 /nfs/dbraw/zinc/24/25/57/729242557.db2.gz ZSSTXWZOWXJXQY-ONEGZZNKSA-N 0 3 287.407 1.440 10 10 CDCEHN C[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000714251941 729268237 /nfs/dbraw/zinc/26/82/37/729268237.db2.gz PCBNNLNRVGIPRP-WHOFXGATSA-N 0 3 296.436 1.979 10 10 CDCEHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000825129807 729293014 /nfs/dbraw/zinc/29/30/14/729293014.db2.gz FTSLRHRJYUAICA-IUODEOHRSA-N 0 3 296.386 1.863 10 10 CDCEHN COc1ccc(N2CCN(C[C@H](C)CO)CC2)cc1F ZINC000121187915 729329282 /nfs/dbraw/zinc/32/92/82/729329282.db2.gz MIOZVGKEIXVUKN-LBPRGKRZSA-N 0 3 282.359 1.585 10 10 CDCEHN COc1ccc(O)c(CN[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000862551615 729363832 /nfs/dbraw/zinc/36/38/32/729363832.db2.gz OVBQQOOMSGKRBA-CQSZACIVSA-N 0 3 290.363 1.644 10 10 CDCEHN CNC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000398455798 729467448 /nfs/dbraw/zinc/46/74/48/729467448.db2.gz GLQBMQHECDTPGZ-SECBINFHSA-N 0 3 252.289 1.099 10 10 CDCEHN CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000398455798 729467451 /nfs/dbraw/zinc/46/74/51/729467451.db2.gz GLQBMQHECDTPGZ-SECBINFHSA-N 0 3 252.289 1.099 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000121141429 729508122 /nfs/dbraw/zinc/50/81/22/729508122.db2.gz UPJLPXRRYDMTNH-CABCVRRESA-N 0 3 295.379 1.381 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000121141429 729508124 /nfs/dbraw/zinc/50/81/24/729508124.db2.gz UPJLPXRRYDMTNH-CABCVRRESA-N 0 3 295.379 1.381 10 10 CDCEHN C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000183564202 729664538 /nfs/dbraw/zinc/66/45/38/729664538.db2.gz SRKMSWFBHRVSSL-IUODEOHRSA-N 0 3 265.353 1.832 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000850344734 729691164 /nfs/dbraw/zinc/69/11/64/729691164.db2.gz UIVRFYQVIHHSRW-BBRMVZONSA-N 0 3 295.379 1.932 10 10 CDCEHN CCOc1cccc(CN2CCN(CCO)C[C@H]2C)c1O ZINC000825337488 729951779 /nfs/dbraw/zinc/95/17/79/729951779.db2.gz GUPQVAVTTQSXHZ-CYBMUJFWSA-N 0 3 294.395 1.289 10 10 CDCEHN COc1ccc(N2CCN(C[C@H](O)C3CC3)CC2)cc1F ZINC000838869260 730025301 /nfs/dbraw/zinc/02/53/01/730025301.db2.gz YRJMSZHDPBOUQT-HNNXBMFYSA-N 0 3 294.370 1.727 10 10 CDCEHN CO[C@]1(CO)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826952944 730059758 /nfs/dbraw/zinc/05/97/58/730059758.db2.gz XQFMDBQJFHEANK-CQSZACIVSA-N 0 3 269.316 1.505 10 10 CDCEHN CO[C@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826952944 730059762 /nfs/dbraw/zinc/05/97/62/730059762.db2.gz XQFMDBQJFHEANK-CQSZACIVSA-N 0 3 269.316 1.505 10 10 CDCEHN COc1cccc(O)c1CN[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000850368412 730377408 /nfs/dbraw/zinc/37/74/08/730377408.db2.gz MKMXPYUCJOSNCV-QWRGUYRKSA-N 0 3 299.392 1.456 10 10 CDCEHN CO[C@@](C)(CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000702536720 730390082 /nfs/dbraw/zinc/39/00/82/730390082.db2.gz JSOHOTXBURGURF-SMDDNHRTSA-N 0 3 251.326 1.367 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826780089 936439176 /nfs/dbraw/zinc/43/91/76/936439176.db2.gz GXIAVXVLWBKTRZ-UHFFFAOYSA-N 0 3 288.347 1.771 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826780089 936439177 /nfs/dbraw/zinc/43/91/77/936439177.db2.gz GXIAVXVLWBKTRZ-UHFFFAOYSA-N 0 3 288.347 1.771 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404145641 940953415 /nfs/dbraw/zinc/95/34/15/940953415.db2.gz KUHRQHFINXFLQE-CYBMUJFWSA-N 0 3 255.289 1.162 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC001529326561 969028180 /nfs/dbraw/zinc/02/81/80/969028180.db2.gz AHMQREBBRSZKRZ-MVWJERBFSA-N 0 3 276.336 1.168 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC001529326561 969028190 /nfs/dbraw/zinc/02/81/90/969028190.db2.gz AHMQREBBRSZKRZ-MVWJERBFSA-N 0 3 276.336 1.168 10 10 CDCEHN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CN2CCC1CC2 ZINC001464852931 969824613 /nfs/dbraw/zinc/82/46/13/969824613.db2.gz WZINSEATUUPAGM-ZDUSSCGKSA-N 0 3 290.363 1.193 10 10 CDCEHN Cc1nc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n[nH]1 ZINC000293717637 370764431 /nfs/dbraw/zinc/76/44/31/370764431.db2.gz VGEKDZYCTPCSNB-UHFFFAOYSA-N 0 3 284.722 1.944 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000374895588 370765495 /nfs/dbraw/zinc/76/54/95/370765495.db2.gz NGPGGKJTAHZLII-JIMOISOXSA-N 0 3 278.327 1.630 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000527955570 393004867 /nfs/dbraw/zinc/00/48/67/393004867.db2.gz MQJKLEWMAFVFSY-QCZZGDTMSA-N 0 3 269.316 1.722 10 10 CDCEHN CCCN1CCN(CCC(=O)Nc2ccc(N)cc2)CC1 ZINC000022222005 171378592 /nfs/dbraw/zinc/37/85/92/171378592.db2.gz MQTVOHYLLJQFMZ-UHFFFAOYSA-N 0 3 290.411 1.625 10 10 CDCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1C ZINC000172960546 329141269 /nfs/dbraw/zinc/14/12/69/329141269.db2.gz JGRQRLRFKYSETE-INIZCTEOSA-N 0 3 290.407 1.916 10 10 CDCEHN Cc1cc([O-])c(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1C ZINC000172960546 329141270 /nfs/dbraw/zinc/14/12/70/329141270.db2.gz JGRQRLRFKYSETE-INIZCTEOSA-N 0 3 290.407 1.916 10 10 CDCEHN CCOc1cccc(C[N@H+](C)CCCCO)c1[O-] ZINC000276646333 521330582 /nfs/dbraw/zinc/33/05/82/521330582.db2.gz LOCOCYQEYGLOII-UHFFFAOYSA-N 0 3 253.342 1.995 10 10 CDCEHN CCOc1cccc(C[N@@H+](C)CCCCO)c1[O-] ZINC000276646333 521330589 /nfs/dbraw/zinc/33/05/89/521330589.db2.gz LOCOCYQEYGLOII-UHFFFAOYSA-N 0 3 253.342 1.995 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000084062243 524765823 /nfs/dbraw/zinc/76/58/23/524765823.db2.gz UMFUXFRTARFCRF-GHMZBOCLSA-N 0 3 278.352 1.672 10 10 CDCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1C ZINC000278735021 525319926 /nfs/dbraw/zinc/31/99/26/525319926.db2.gz LNXYJDBEIGSGRL-MRXNPFEDSA-N 0 3 274.364 1.721 10 10 CDCEHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1C ZINC000278735021 525319931 /nfs/dbraw/zinc/31/99/31/525319931.db2.gz LNXYJDBEIGSGRL-MRXNPFEDSA-N 0 3 274.364 1.721 10 10 CDCEHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000898833068 621892200 /nfs/dbraw/zinc/89/22/00/621892200.db2.gz PQAMKQLXUCEMCB-OLZOCXBDSA-N 0 3 290.363 1.700 10 10 CDCEHN Cc1ccc([C@@H](C)N[C@H](CO)c2ccnn2C)c(O)c1 ZINC000858434814 730611475 /nfs/dbraw/zinc/61/14/75/730611475.db2.gz QDMDJLKLSDYVMX-DGCLKSJQSA-N 0 3 275.352 1.818 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000126671755 730701892 /nfs/dbraw/zinc/70/18/92/730701892.db2.gz DSUQBEHRYGUBRU-MNOVXSKESA-N 0 3 269.366 1.620 10 10 CDCEHN CCOc1ccc(O)c(CN2CC[C@](O)(C(F)F)C2)c1 ZINC000824726769 730729701 /nfs/dbraw/zinc/72/97/01/730729701.db2.gz SYMSFNNDUBLFCJ-CQSZACIVSA-N 0 3 287.306 1.993 10 10 CDCEHN COC(=O)CC1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000846027884 731102640 /nfs/dbraw/zinc/10/26/40/731102640.db2.gz YMDIMEGTQXRVAW-UHFFFAOYSA-N 0 3 253.273 1.717 10 10 CDCEHN COC[C@](C)(CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835044811 731382129 /nfs/dbraw/zinc/38/21/29/731382129.db2.gz PHYKCZWEMWQLEZ-KJPDOMRESA-N 0 3 278.396 1.753 10 10 CDCEHN COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000839538918 731678050 /nfs/dbraw/zinc/67/80/50/731678050.db2.gz OMJRCMCZEZXKBR-NSHDSACASA-N 0 3 294.351 1.112 10 10 CDCEHN CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000843427697 731898890 /nfs/dbraw/zinc/89/88/90/731898890.db2.gz KCHHZFTZASVWCL-VXGBXAGGSA-N 0 3 271.744 1.857 10 10 CDCEHN CCOc1ccc(O)c(CNC2(C(=O)N(C)C)CC2)c1 ZINC000840957258 732045858 /nfs/dbraw/zinc/04/58/58/732045858.db2.gz KKZSGKPVWHPJFE-UHFFFAOYSA-N 0 3 278.352 1.501 10 10 CDCEHN C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)ccc1[O-] ZINC000850506631 732095254 /nfs/dbraw/zinc/09/52/54/732095254.db2.gz GEKPUQCDCCNINW-NHYWBVRUSA-N 0 3 299.342 1.350 10 10 CDCEHN CC[C@H](N[C@H]1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000850480976 732143067 /nfs/dbraw/zinc/14/30/67/732143067.db2.gz GHFMJWXBSBXLTP-KBPBESRZSA-N 0 3 261.369 1.682 10 10 CDCEHN Oc1cc2c(cc1CN1C[C@@H]3C[C@H]1CS3)OCO2 ZINC000839191749 732150235 /nfs/dbraw/zinc/15/02/35/732150235.db2.gz JYMTTWVVRKOYSL-UWVGGRQHSA-N 0 3 265.334 1.811 10 10 CDCEHN O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000824451447 732150950 /nfs/dbraw/zinc/15/09/50/732150950.db2.gz XIWHBFKBPYUTCB-LBPRGKRZSA-N 0 3 276.336 1.666 10 10 CDCEHN O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000824451447 732150951 /nfs/dbraw/zinc/15/09/51/732150951.db2.gz XIWHBFKBPYUTCB-LBPRGKRZSA-N 0 3 276.336 1.666 10 10 CDCEHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000835049421 732358072 /nfs/dbraw/zinc/35/80/72/732358072.db2.gz IPQBGJYPHDOLBW-IHVVCDCBSA-N 0 3 293.386 1.830 10 10 CDCEHN CCOc1cccc(CN2CC[C@H](NC(=O)OC)C2)c1O ZINC000228354000 732424427 /nfs/dbraw/zinc/42/44/27/732424427.db2.gz DRXNIKCRETWSPC-LBPRGKRZSA-N 0 3 294.351 1.721 10 10 CDCEHN C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000720496748 732463877 /nfs/dbraw/zinc/46/38/77/732463877.db2.gz RGCNPOKNYCOWTC-JTQLQIEISA-N 0 3 265.309 1.732 10 10 CDCEHN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000702518425 732755746 /nfs/dbraw/zinc/75/57/46/732755746.db2.gz SVAMZELIERCQQW-TVQRCGJNSA-N 0 3 257.305 1.579 10 10 CDCEHN CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000817414887 732794325 /nfs/dbraw/zinc/79/43/25/732794325.db2.gz KLRBZYHBXMKFEM-SNVBAGLBSA-N 0 3 282.771 1.922 10 10 CDCEHN CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000817414887 732794334 /nfs/dbraw/zinc/79/43/34/732794334.db2.gz KLRBZYHBXMKFEM-SNVBAGLBSA-N 0 3 282.771 1.922 10 10 CDCEHN Cn1ccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000840888018 936966663 /nfs/dbraw/zinc/96/66/63/936966663.db2.gz UQXQUWGELCLLDP-UHFFFAOYSA-N 0 3 272.352 1.869 10 10 CDCEHN CCN(CC)c1ccc(CN2CC(C)(C(N)=O)C2)cc1 ZINC000843416740 937147475 /nfs/dbraw/zinc/14/74/75/937147475.db2.gz VPQIVOQQDIVUAA-UHFFFAOYSA-N 0 3 275.396 1.840 10 10 CDCEHN Cc1ccc([C@H](C)N[C@H]2CCCNC2=O)c(O)c1C ZINC000296307031 378725563 /nfs/dbraw/zinc/72/55/63/378725563.db2.gz GETBNALZVNFTEC-AAEUAGOBSA-N 0 3 262.353 1.938 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)c([O-])c1C ZINC000296307031 378725567 /nfs/dbraw/zinc/72/55/67/378725567.db2.gz GETBNALZVNFTEC-AAEUAGOBSA-N 0 3 262.353 1.938 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000527954360 393005416 /nfs/dbraw/zinc/00/54/16/393005416.db2.gz JGMACNKGPBAJQJ-NZVBXONLSA-N 0 3 281.352 1.591 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000527956635 393005495 /nfs/dbraw/zinc/00/54/95/393005495.db2.gz RCOMPVMBZPMFMT-BPNCWPANSA-N 0 3 251.326 1.583 10 10 CDCEHN C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(O)cc1[O-] ZINC000038047226 174056761 /nfs/dbraw/zinc/05/67/61/174056761.db2.gz MCWZWESJVWQDJW-SECBINFHSA-N 0 3 273.354 1.183 10 10 CDCEHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183398433 261973411 /nfs/dbraw/zinc/97/34/11/261973411.db2.gz WSOSWGRGKGHDGK-OLZOCXBDSA-N 0 3 264.369 1.764 10 10 CDCEHN COC[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1[O-])OC ZINC000230672197 333320471 /nfs/dbraw/zinc/32/04/71/333320471.db2.gz WLDKQKAHHFOAAD-JQWIXIFHSA-N 0 3 269.341 1.713 10 10 CDCEHN CC(C)CN1CCN(Cc2cc(N)ccc2O)CC1 ZINC000055076905 519727131 /nfs/dbraw/zinc/72/71/31/519727131.db2.gz KLMIZCNLNIGNKL-UHFFFAOYSA-N 0 3 263.385 1.748 10 10 CDCEHN Oc1cc2c(cc1CN1CCN(C3CC3)CC1)[C@@H](O)CO2 ZINC000768445608 576284173 /nfs/dbraw/zinc/28/41/73/576284173.db2.gz RRCMAYQJUNWNDC-HNNXBMFYSA-N 0 3 290.363 1.098 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)c([O-])c1 ZINC000903281688 625953310 /nfs/dbraw/zinc/95/33/10/625953310.db2.gz QQYSNAJECGHMBU-BBRMVZONSA-N 0 3 294.395 1.044 10 10 CDCEHN CC[NH+](CC)CCNC(=O)NCc1c([O-])cccc1F ZINC000913830514 630815191 /nfs/dbraw/zinc/81/51/91/630815191.db2.gz BTOIJWLOEYPJDY-UHFFFAOYSA-N 0 3 283.347 1.672 10 10 CDCEHN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000918541774 632382953 /nfs/dbraw/zinc/38/29/53/632382953.db2.gz JWKVYNKUZYODPY-CQSZACIVSA-N 0 3 290.411 1.646 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000846050547 735238168 /nfs/dbraw/zinc/23/81/68/735238168.db2.gz UQEJUIUVCFODQJ-CQSZACIVSA-N 0 3 267.325 1.032 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@H](C)NC2)c1 ZINC000863545930 736271064 /nfs/dbraw/zinc/27/10/64/736271064.db2.gz IYKHRYNBDLFZTJ-GVXVVHGQSA-N 0 3 292.379 1.970 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863545930 736271068 /nfs/dbraw/zinc/27/10/68/736271068.db2.gz IYKHRYNBDLFZTJ-GVXVVHGQSA-N 0 3 292.379 1.970 10 10 CDCEHN [NH3+]C1(CNCc2c([O-])ccc(Cl)c2F)CCOCC1 ZINC000863646230 733260354 /nfs/dbraw/zinc/26/03/54/733260354.db2.gz RIEOZMGEWNNKKG-UHFFFAOYSA-N 0 3 288.750 1.782 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000834673933 733350587 /nfs/dbraw/zinc/35/05/87/733350587.db2.gz XSIYTXWKDZEOLR-ZRJCITRHSA-N 0 3 286.375 1.978 10 10 CDCEHN CCOc1cccc(CN2CCN(CCO)[C@@H](C)C2)c1O ZINC000249951974 733430269 /nfs/dbraw/zinc/43/02/69/733430269.db2.gz IUSYZGRABCGGEH-ZDUSSCGKSA-N 0 3 294.395 1.289 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000846190017 733433523 /nfs/dbraw/zinc/43/35/23/733433523.db2.gz ONBLXHMTYRUYBT-SDNRWEOFSA-N 0 3 278.327 1.933 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826846721 733844890 /nfs/dbraw/zinc/84/48/90/733844890.db2.gz YLBSKRJEGYVTSA-GFCCVEGCSA-N 0 3 288.351 1.514 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826846721 733844891 /nfs/dbraw/zinc/84/48/91/733844891.db2.gz YLBSKRJEGYVTSA-GFCCVEGCSA-N 0 3 288.351 1.514 10 10 CDCEHN C[C@H](C[NH2+]Cc1ccccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563721 733997317 /nfs/dbraw/zinc/99/73/17/733997317.db2.gz WWFAEEGRQQDEEW-MCIONIFRSA-N 0 3 278.396 1.980 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CCC[C@@](CO)(OC)C2)c([O-])c1 ZINC000826951698 734065239 /nfs/dbraw/zinc/06/52/39/734065239.db2.gz BROMEJANLUCUOX-MRXNPFEDSA-N 0 3 295.379 1.764 10 10 CDCEHN CCOc1ccc(C[N@H+]2CCC[C@@](CO)(OC)C2)c([O-])c1 ZINC000826951698 734065240 /nfs/dbraw/zinc/06/52/40/734065240.db2.gz BROMEJANLUCUOX-MRXNPFEDSA-N 0 3 295.379 1.764 10 10 CDCEHN C[C@@H]1CCN(CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000847591763 734185850 /nfs/dbraw/zinc/18/58/50/734185850.db2.gz ZCFRUCJXNFALDG-SNVBAGLBSA-N 0 3 264.325 1.056 10 10 CDCEHN C[C@H](NC[C@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000126702901 734234831 /nfs/dbraw/zinc/23/48/31/734234831.db2.gz ZLGVDLGZGNHVHL-SWLSCSKDSA-N 0 3 296.436 1.980 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929974902 734295442 /nfs/dbraw/zinc/29/54/42/734295442.db2.gz CAENOJFEBPKULY-YDHLFZDLSA-N 0 3 263.337 1.628 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929974902 734295447 /nfs/dbraw/zinc/29/54/47/734295447.db2.gz CAENOJFEBPKULY-YDHLFZDLSA-N 0 3 263.337 1.628 10 10 CDCEHN CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168766222 734349963 /nfs/dbraw/zinc/34/99/63/734349963.db2.gz JJOTVWVWTQWRGP-XYZCENFISA-N 0 3 259.346 1.951 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCN(C)C2=O)cc1 ZINC000835043299 734504323 /nfs/dbraw/zinc/50/43/23/734504323.db2.gz OXDXEKHERCUYOK-DQOPKJQZSA-N 0 3 287.407 1.976 10 10 CDCEHN Cn1cnc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000313250097 734662307 /nfs/dbraw/zinc/66/23/07/734662307.db2.gz BETUPMREJLZVQL-ZDUSSCGKSA-N 0 3 257.337 1.945 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000817983687 734978428 /nfs/dbraw/zinc/97/84/28/734978428.db2.gz IGHUVGPRDZUJMF-DGCLKSJQSA-N 0 3 292.379 1.972 10 10 CDCEHN C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccccc1[O-] ZINC000783516241 735230383 /nfs/dbraw/zinc/23/03/83/735230383.db2.gz AJBXSTNGHIUJQM-LBPRGKRZSA-N 0 3 298.408 1.468 10 10 CDCEHN CN1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779516153 736159219 /nfs/dbraw/zinc/15/92/19/736159219.db2.gz VGVANUPAVQXSES-SMYYYNMVSA-N 0 3 276.336 1.321 10 10 CDCEHN COc1ccc(O)c(CN[C@H]2CCN(C3CCC3)C2=O)c1 ZINC000862551613 929425506 /nfs/dbraw/zinc/42/55/06/929425506.db2.gz OVBQQOOMSGKRBA-AWEZNQCLSA-N 0 3 290.363 1.644 10 10 CDCEHN C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccccc1[O-] ZINC000405362107 940985450 /nfs/dbraw/zinc/98/54/50/940985450.db2.gz FOVQYTXLINZWLN-NSHDSACASA-N 0 3 284.381 1.078 10 10 CDCEHN C[C@H]1CCOCCN1Cc1cc2c(cc1O)OCO2 ZINC000091590331 342405681 /nfs/dbraw/zinc/40/56/81/342405681.db2.gz PLHGDZHPAZQVCT-JTQLQIEISA-N 0 3 265.309 1.732 10 10 CDCEHN COc1cc([O-])c(C[N@H+](C)CC2(CO)CC2)cc1OC ZINC000188959108 357956506 /nfs/dbraw/zinc/95/65/06/357956506.db2.gz IOLRTYLRKBWPTM-UHFFFAOYSA-N 0 3 281.352 1.614 10 10 CDCEHN COc1cc([O-])c(C[N@@H+](C)CC2(CO)CC2)cc1OC ZINC000188959108 357956510 /nfs/dbraw/zinc/95/65/10/357956510.db2.gz IOLRTYLRKBWPTM-UHFFFAOYSA-N 0 3 281.352 1.614 10 10 CDCEHN COc1cc(O)c(CN(C)CC2(CO)CC2)cc1OC ZINC000188959108 357956514 /nfs/dbraw/zinc/95/65/14/357956514.db2.gz IOLRTYLRKBWPTM-UHFFFAOYSA-N 0 3 281.352 1.614 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccccc1[O-] ZINC000527956894 393005481 /nfs/dbraw/zinc/00/54/81/393005481.db2.gz RCOMPVMBZPMFMT-ZLKJLUDKSA-N 0 3 251.326 1.583 10 10 CDCEHN CC[C@H](C)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 ZINC000059848310 260229676 /nfs/dbraw/zinc/22/96/76/260229676.db2.gz WINLPRNPBKQCDU-ZANVPECISA-N 0 3 266.341 1.130 10 10 CDCEHN COCc1n[nH]c(CNCc2cc(C)cc(OC)c2O)n1 ZINC000895251304 619495748 /nfs/dbraw/zinc/49/57/48/619495748.db2.gz IUOFSWWBMXFCFJ-UHFFFAOYSA-N 0 3 292.339 1.264 10 10 CDCEHN CC[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccccc1[O-] ZINC000903279946 625951231 /nfs/dbraw/zinc/95/12/31/625951231.db2.gz MDIIJDIYNAERJB-GDBMZVCRSA-N 0 3 294.395 1.126 10 10 CDCEHN COc1ccc(C[NH2+][C@H]2CCCN(C)C2)c([O-])c1 ZINC000040906865 1159754429 /nfs/dbraw/zinc/75/44/29/1159754429.db2.gz XCOUCQRHZLHELK-LBPRGKRZSA-N 0 3 250.342 1.585 10 10 CDCEHN C[C@@H](CF)NCc1ccc(N2CCOCC2)cc1 ZINC000702580044 736349516 /nfs/dbraw/zinc/34/95/16/736349516.db2.gz OOIXDQHQCDVXEQ-LBPRGKRZSA-N 0 3 252.333 1.971 10 10 CDCEHN COC(=O)[C@]1(OC)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000862473992 736438849 /nfs/dbraw/zinc/43/88/49/736438849.db2.gz KGBXGINJJZNNGI-AWEZNQCLSA-N 0 3 265.309 1.156 10 10 CDCEHN COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000862473992 736438860 /nfs/dbraw/zinc/43/88/60/736438860.db2.gz KGBXGINJJZNNGI-AWEZNQCLSA-N 0 3 265.309 1.156 10 10 CDCEHN CO[C@@H](C[N@H+](C)Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000851840339 738064649 /nfs/dbraw/zinc/06/46/49/738064649.db2.gz CXGHUVVPUWLFAZ-ZFWWWQNUSA-N 0 3 265.353 1.876 10 10 CDCEHN CO[C@@H](C[N@@H+](C)Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000851840339 738064652 /nfs/dbraw/zinc/06/46/52/738064652.db2.gz CXGHUVVPUWLFAZ-ZFWWWQNUSA-N 0 3 265.353 1.876 10 10 CDCEHN C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866523205 738540222 /nfs/dbraw/zinc/54/02/22/738540222.db2.gz COQBVMYVTGTLHZ-ABAIWWIYSA-N 0 3 292.335 1.264 10 10 CDCEHN CC[C@@H](N[C@@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434788 738800209 /nfs/dbraw/zinc/80/02/09/738800209.db2.gz PURVZPHYRWJMGI-OLZOCXBDSA-N 0 3 275.352 1.900 10 10 CDCEHN C[C@@H]1CCNC(=O)[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000835051244 738870825 /nfs/dbraw/zinc/87/08/25/738870825.db2.gz IPGHJJKIQUDXAK-WSXGPOFGSA-N 0 3 287.407 1.880 10 10 CDCEHN CC[C@@H](N[C@H]1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000850480978 738883072 /nfs/dbraw/zinc/88/30/72/738883072.db2.gz GHFMJWXBSBXLTP-KGLIPLIRSA-N 0 3 261.369 1.682 10 10 CDCEHN CCN(CC)c1ccc(CNC[C@@H](O)[C@@H](C)O)cc1F ZINC000865738086 739079773 /nfs/dbraw/zinc/07/97/73/739079773.db2.gz BYCQAAIFMTWCHV-IAQYHMDHSA-N 0 3 284.375 1.503 10 10 CDCEHN COc1ccc(N(CC2CC2)C[C@@H]2CNCCO2)cc1 ZINC000866672284 736672868 /nfs/dbraw/zinc/67/28/68/736672868.db2.gz IHMJLDACAAPERX-INIZCTEOSA-N 0 3 276.380 1.900 10 10 CDCEHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000870987674 737376287 /nfs/dbraw/zinc/37/62/87/737376287.db2.gz AEKVDGXQRAXPGR-GXSJLCMTSA-N 0 3 268.382 1.650 10 10 CDCEHN Cc1cc(C)c(O)c(CN2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000164339869 738044167 /nfs/dbraw/zinc/04/41/67/738044167.db2.gz GUACPGMSESAUSM-ZDUSSCGKSA-N 0 3 298.408 1.133 10 10 CDCEHN CCN(C)c1ccc(CN2CC(C)(C(N)=O)C2)cc1 ZINC000829069732 936401722 /nfs/dbraw/zinc/40/17/22/936401722.db2.gz FPVMOGHLYNCANS-UHFFFAOYSA-N 0 3 261.369 1.450 10 10 CDCEHN CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000404175964 940955260 /nfs/dbraw/zinc/95/52/60/940955260.db2.gz SANMQBMNRSTPSB-DZGCQCFKSA-N 0 3 265.353 1.974 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001353603964 968099169 /nfs/dbraw/zinc/09/91/69/968099169.db2.gz DHUHRGBCJUWZCA-AWEZNQCLSA-N 0 3 295.354 1.895 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001353603964 968099180 /nfs/dbraw/zinc/09/91/80/968099180.db2.gz DHUHRGBCJUWZCA-AWEZNQCLSA-N 0 3 295.354 1.895 10 10 CDCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccccc1[O-] ZINC000373586342 391123771 /nfs/dbraw/zinc/12/37/71/391123771.db2.gz SDPVNDFGXCSHBG-UONOGXRCSA-N 0 3 293.363 1.935 10 10 CDCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccccc1[O-] ZINC000373586342 391123775 /nfs/dbraw/zinc/12/37/75/391123775.db2.gz SDPVNDFGXCSHBG-UONOGXRCSA-N 0 3 293.363 1.935 10 10 CDCEHN COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000182650677 391238551 /nfs/dbraw/zinc/23/85/51/391238551.db2.gz BFQHONAQNVXLCI-LSDHHAIUSA-N 0 3 295.379 1.381 10 10 CDCEHN COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000182650677 391238552 /nfs/dbraw/zinc/23/85/52/391238552.db2.gz BFQHONAQNVXLCI-LSDHHAIUSA-N 0 3 295.379 1.381 10 10 CDCEHN CN(C(=O)c1cn[n-]c1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000662498735 413068822 /nfs/dbraw/zinc/06/88/22/413068822.db2.gz LYUVEQGVSXFSKE-SNVBAGLBSA-N 0 3 288.326 1.902 10 10 CDCEHN CN(C[C@H](O)COc1ccc(N)cc1)[C@@H]1CCSC1 ZINC000037174116 173008374 /nfs/dbraw/zinc/00/83/74/173008374.db2.gz VSAZZEJDKBABAU-OLZOCXBDSA-N 0 3 282.409 1.446 10 10 CDCEHN COc1ccc([C@H](C)[NH2+]CCS(C)(=O)=O)c([O-])c1 ZINC000037740621 173661450 /nfs/dbraw/zinc/66/14/50/173661450.db2.gz DUSDHXLFPMEFQV-VIFPVBQESA-N 0 3 273.354 1.096 10 10 CDCEHN COc1cc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1OC ZINC000160226177 261208524 /nfs/dbraw/zinc/20/85/24/261208524.db2.gz RJEMGZOMQXXXFI-FUNVUKJBSA-N 0 3 293.363 1.897 10 10 CDCEHN COc1cc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1OC ZINC000160226177 261208527 /nfs/dbraw/zinc/20/85/27/261208527.db2.gz RJEMGZOMQXXXFI-FUNVUKJBSA-N 0 3 293.363 1.897 10 10 CDCEHN CN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000289358518 263109375 /nfs/dbraw/zinc/10/93/75/263109375.db2.gz KAZYVFZJCYNLAJ-ZDUSSCGKSA-N 0 3 298.408 1.248 10 10 CDCEHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H](O)C(F)F ZINC000295121349 276587031 /nfs/dbraw/zinc/58/70/31/276587031.db2.gz WPKOBGMLNPNJEJ-JOYOIKCWSA-N 0 3 275.295 1.895 10 10 CDCEHN Cc1ccc([O-])c(C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000127599227 329600929 /nfs/dbraw/zinc/60/09/29/329600929.db2.gz BHOQELAHGFKFGF-UHFFFAOYSA-N 0 3 289.379 1.690 10 10 CDCEHN COC1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000757970076 577064489 /nfs/dbraw/zinc/06/44/89/577064489.db2.gz AIBFSTDCRHUUSO-UHFFFAOYSA-N 0 3 294.370 1.929 10 10 CDCEHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000925319979 621324317 /nfs/dbraw/zinc/32/43/17/621324317.db2.gz WBTWFHHDYXSKDO-DGCLKSJQSA-N 0 3 277.368 1.626 10 10 CDCEHN COc1ccc(CNC(=[NH2+])N[C@@H](C)C2CC2)c([O-])c1 ZINC000899271780 622136844 /nfs/dbraw/zinc/13/68/44/622136844.db2.gz NFZVAEYTRKWJJY-VIFPVBQESA-N 0 3 263.341 1.813 10 10 CDCEHN C[C@@H]1[C@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000915518632 631757442 /nfs/dbraw/zinc/75/74/42/631757442.db2.gz XLODLBCZKJEHIK-ZYHUDNBSSA-N 0 3 263.341 1.284 10 10 CDCEHN CN(C)c1ccc(/C=C/CN(C)[C@]2(CO)CCOC2)cc1 ZINC000862428233 739607531 /nfs/dbraw/zinc/60/75/31/739607531.db2.gz OFFWJNBXTLJXCU-BDUNBXCCSA-N 0 3 290.407 1.849 10 10 CDCEHN CCOc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c([O-])c1 ZINC000858249540 739813212 /nfs/dbraw/zinc/81/32/12/739813212.db2.gz SAEJOUHLCHMWFN-XYPYZODXSA-N 0 3 264.325 1.144 10 10 CDCEHN COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827151694 739838876 /nfs/dbraw/zinc/83/88/76/739838876.db2.gz IGCZZLFIIYJPDF-YABSGUDNSA-N 0 3 265.353 1.850 10 10 CDCEHN COC[C@H]1C[C@@H](O)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000846052078 740317277 /nfs/dbraw/zinc/31/72/77/740317277.db2.gz AIJQRYRHJGMNDL-ADDHZHGLSA-N 0 3 290.407 1.847 10 10 CDCEHN COc1ccc(N2CCN(C[C@H](O)C3CC3)CC2)cc1 ZINC000069090087 741221920 /nfs/dbraw/zinc/22/19/20/741221920.db2.gz JHESOOUNLXKTCZ-INIZCTEOSA-N 0 3 276.380 1.588 10 10 CDCEHN C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866523206 741729501 /nfs/dbraw/zinc/72/95/01/741729501.db2.gz COQBVMYVTGTLHZ-IAQYHMDHSA-N 0 3 292.335 1.264 10 10 CDCEHN C[C@H](C(N)=O)[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000711134090 741826808 /nfs/dbraw/zinc/82/68/08/741826808.db2.gz DATAULKRBLGPHU-SNVBAGLBSA-N 0 3 258.321 1.851 10 10 CDCEHN C[C@H](C(N)=O)[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000711134090 741826809 /nfs/dbraw/zinc/82/68/09/741826809.db2.gz DATAULKRBLGPHU-SNVBAGLBSA-N 0 3 258.321 1.851 10 10 CDCEHN C[C@H](C(N)=O)N(C)Cc1c(O)ccc2ccccc21 ZINC000711134090 741826810 /nfs/dbraw/zinc/82/68/10/741826810.db2.gz DATAULKRBLGPHU-SNVBAGLBSA-N 0 3 258.321 1.851 10 10 CDCEHN CN(C)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000705563183 741936710 /nfs/dbraw/zinc/93/67/10/741936710.db2.gz SMSLBUJWRRMMRI-SNVBAGLBSA-N 0 3 275.274 1.258 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(F)ccc1[O-] ZINC000700232026 742283924 /nfs/dbraw/zinc/28/39/24/742283924.db2.gz KJSOUEICJBESGV-JQWIXIFHSA-N 0 3 268.332 1.513 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@H]2CCCNC2=O)cc1 ZINC000835038970 742418824 /nfs/dbraw/zinc/41/88/24/742418824.db2.gz ZYZDLRIDCKVJJM-UJAVWCLSSA-N 0 3 273.380 1.634 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090023161 739424714 /nfs/dbraw/zinc/42/47/14/739424714.db2.gz DJCQBKHYGXHCHC-KOLCDFICSA-N 0 3 262.309 1.190 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCC1 ZINC000859189114 739669693 /nfs/dbraw/zinc/66/96/93/739669693.db2.gz MYNXOIYVNMIFLE-CYBMUJFWSA-N 0 3 265.353 1.490 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCC1 ZINC000859189114 739669697 /nfs/dbraw/zinc/66/96/97/739669697.db2.gz MYNXOIYVNMIFLE-CYBMUJFWSA-N 0 3 265.353 1.490 10 10 CDCEHN COc1cccc(CN2CC[C@@](O)(C(F)F)C2)c1O ZINC000824725947 739726572 /nfs/dbraw/zinc/72/65/72/739726572.db2.gz APCACHKLDYDMKK-ZDUSSCGKSA-N 0 3 273.279 1.603 10 10 CDCEHN COc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827151694 739838873 /nfs/dbraw/zinc/83/88/73/739838873.db2.gz IGCZZLFIIYJPDF-YABSGUDNSA-N 0 3 265.353 1.850 10 10 CDCEHN COc1cc(CN2CC[C@@](O)(C(F)F)C2)c(O)cc1C ZINC000840119318 740815532 /nfs/dbraw/zinc/81/55/32/740815532.db2.gz QSTAAPROXVPWFS-AWEZNQCLSA-N 0 3 287.306 1.911 10 10 CDCEHN CC(=O)NCCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843427506 741249148 /nfs/dbraw/zinc/24/91/48/741249148.db2.gz FWCBANSHRFAWBU-AATRIKPKSA-N 0 3 275.396 1.834 10 10 CDCEHN CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1ccccc1[O-] ZINC000702536025 741688856 /nfs/dbraw/zinc/68/88/56/741688856.db2.gz FPAFVWMYAUPKFB-JSGCOSHPSA-N 0 3 253.342 1.830 10 10 CDCEHN Cc1ccc(O)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000846103823 742131939 /nfs/dbraw/zinc/13/19/39/742131939.db2.gz ZHFPTAKXAJXTBB-PRXAMGSTSA-N 0 3 251.351 1.406 10 10 CDCEHN C[C@H]1CN(CCO)CCN1Cc1ccc(N(C)C)cc1 ZINC000825338102 742334479 /nfs/dbraw/zinc/33/44/79/742334479.db2.gz LTWZCRSBGCCWNE-AWEZNQCLSA-N 0 3 277.412 1.251 10 10 CDCEHN CC[C@@H](C(=O)NCc1c(O)cccc1O)N(C)C ZINC001178910238 915681171 /nfs/dbraw/zinc/68/11/71/915681171.db2.gz BPOZSPIFQGEWTJ-JTQLQIEISA-N 0 3 252.314 1.054 10 10 CDCEHN CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000404175972 940955160 /nfs/dbraw/zinc/95/51/60/940955160.db2.gz SANMQBMNRSTPSB-HIFRSBDPSA-N 0 3 265.353 1.974 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001353603965 968100278 /nfs/dbraw/zinc/10/02/78/968100278.db2.gz DHUHRGBCJUWZCA-CQSZACIVSA-N 0 3 295.354 1.895 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001353603965 968100283 /nfs/dbraw/zinc/10/02/83/968100283.db2.gz DHUHRGBCJUWZCA-CQSZACIVSA-N 0 3 295.354 1.895 10 10 CDCEHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182547414 391237013 /nfs/dbraw/zinc/23/70/13/391237013.db2.gz BNPIGQBMRNBJPZ-LBPRGKRZSA-N 0 3 292.379 1.963 10 10 CDCEHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182547414 391237017 /nfs/dbraw/zinc/23/70/17/391237017.db2.gz BNPIGQBMRNBJPZ-LBPRGKRZSA-N 0 3 292.379 1.963 10 10 CDCEHN C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1[O-] ZINC000183398452 391263826 /nfs/dbraw/zinc/26/38/26/391263826.db2.gz WSOSWGRGKGHDGK-QWHCGFSZSA-N 0 3 264.369 1.764 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038044341 174052333 /nfs/dbraw/zinc/05/23/33/174052333.db2.gz CKRUAZZTPUJABL-LLVKDONJSA-N 0 3 251.326 1.917 10 10 CDCEHN C[N@H+](CCCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000276690494 522737506 /nfs/dbraw/zinc/73/75/06/522737506.db2.gz RZNAYNLKJQOQHF-UHFFFAOYSA-N 0 3 253.298 1.325 10 10 CDCEHN C[N@@H+](CCCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000276690494 522737518 /nfs/dbraw/zinc/73/75/18/522737518.db2.gz RZNAYNLKJQOQHF-UHFFFAOYSA-N 0 3 253.298 1.325 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071299302 524772635 /nfs/dbraw/zinc/77/26/35/524772635.db2.gz BBHFGEAIPUNXDL-LKFCYVNXSA-N 0 3 251.326 1.822 10 10 CDCEHN CCN(OC)C(=O)CNCc1cc(F)ccc1O ZINC000843429703 617331840 /nfs/dbraw/zinc/33/18/40/617331840.db2.gz AAFKHPKBRSUTDL-UHFFFAOYSA-N 0 3 256.277 1.031 10 10 CDCEHN CCN(OC)C(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000843429703 617331842 /nfs/dbraw/zinc/33/18/42/617331842.db2.gz AAFKHPKBRSUTDL-UHFFFAOYSA-N 0 3 256.277 1.031 10 10 CDCEHN COC1(OC)CCN(Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000931634627 618113645 /nfs/dbraw/zinc/11/36/45/618113645.db2.gz NOXFDXOIMWVVBC-OAHLLOKOSA-N 0 3 294.395 1.308 10 10 CDCEHN O=C1C[C@H](CC[NH2+][C@H]2CCc3cccc([O-])c32)CN1 ZINC000926980340 621640830 /nfs/dbraw/zinc/64/08/30/621640830.db2.gz PGFIGQCLCUCTAD-JQWIXIFHSA-N 0 3 260.337 1.495 10 10 CDCEHN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(N2CCCC2)C1 ZINC000912324931 629936202 /nfs/dbraw/zinc/93/62/02/629936202.db2.gz LGDCXCYECMMTES-GQCTYLIASA-N 0 3 288.347 1.418 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000866674903 742877024 /nfs/dbraw/zinc/87/70/24/742877024.db2.gz JTRSPDFVDSPAMW-BXKDBHETSA-N 0 3 280.343 1.761 10 10 CDCEHN CC[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H](C)N1 ZINC000856408601 745065405 /nfs/dbraw/zinc/06/54/05/745065405.db2.gz OXCHIDVRWJSOPI-PDCNKGEESA-N 0 3 290.363 1.710 10 10 CDCEHN CC(C)[C@H](C(=O)NCc1c([O-])cccc1F)[NH+](C)C ZINC000928705534 745948985 /nfs/dbraw/zinc/94/89/85/745948985.db2.gz KZHWASKOSSPIOH-CYBMUJFWSA-N 0 3 268.332 1.734 10 10 CDCEHN C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000786945405 746845017 /nfs/dbraw/zinc/84/50/17/746845017.db2.gz NIJWECHSFIKVFV-VIFPVBQESA-N 0 3 287.356 1.617 10 10 CDCEHN C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284989 747025368 /nfs/dbraw/zinc/02/53/68/747025368.db2.gz XHFWNYQZIHVFJB-SMDDNHRTSA-N 0 3 251.301 2.000 10 10 CDCEHN C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284989 747025376 /nfs/dbraw/zinc/02/53/76/747025376.db2.gz XHFWNYQZIHVFJB-SMDDNHRTSA-N 0 3 251.301 2.000 10 10 CDCEHN CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927134158 747119043 /nfs/dbraw/zinc/11/90/43/747119043.db2.gz HFTZEDVEXZENNU-DOMZBBRYSA-N 0 3 275.352 1.900 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655058 747287446 /nfs/dbraw/zinc/28/74/46/747287446.db2.gz SZFFIISYITWQJL-RRFJBIMHSA-N 0 3 277.364 1.754 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655058 747287467 /nfs/dbraw/zinc/28/74/67/747287467.db2.gz SZFFIISYITWQJL-RRFJBIMHSA-N 0 3 277.364 1.754 10 10 CDCEHN Cc1cc(Cl)cc(CN2CCN(CCO)C[C@H]2C)c1O ZINC000825337212 747799198 /nfs/dbraw/zinc/79/91/98/747799198.db2.gz DZYKQMAMIJMDNA-GFCCVEGCSA-N 0 3 298.814 1.852 10 10 CDCEHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000827545103 748048455 /nfs/dbraw/zinc/04/84/55/748048455.db2.gz SQIBPXLJELSZDK-CYBMUJFWSA-N 0 3 295.358 1.719 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000069140982 748656894 /nfs/dbraw/zinc/65/68/94/748656894.db2.gz FWHNMOMBLCMEFC-WDEREUQCSA-N 0 3 269.366 1.620 10 10 CDCEHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)OC)c1 ZINC000397531971 748844938 /nfs/dbraw/zinc/84/49/38/748844938.db2.gz COGSLODAXCHJOL-VIFPVBQESA-N 0 3 268.313 1.071 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000827364724 748956682 /nfs/dbraw/zinc/95/66/82/748956682.db2.gz IFMGXPHSKVLIAU-CHWSQXEVSA-N 0 3 251.301 1.924 10 10 CDCEHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cc(O)ccc1O ZINC001176747985 914239281 /nfs/dbraw/zinc/23/92/81/914239281.db2.gz HAHAGIPTMCZMIZ-PHIMTYICSA-N 0 3 278.352 1.587 10 10 CDCEHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377340 936518062 /nfs/dbraw/zinc/51/80/62/936518062.db2.gz IXIXJQAUBHMJBY-WCQYABFASA-N 0 3 290.363 1.654 10 10 CDCEHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377340 936518065 /nfs/dbraw/zinc/51/80/65/936518065.db2.gz IXIXJQAUBHMJBY-WCQYABFASA-N 0 3 290.363 1.654 10 10 CDCEHN CC(C)NC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000111235680 359197759 /nfs/dbraw/zinc/19/77/59/359197759.db2.gz FWNFPVOREJKBNS-UHFFFAOYSA-N 0 3 250.342 1.739 10 10 CDCEHN CC(C)NC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111235680 359197762 /nfs/dbraw/zinc/19/77/62/359197762.db2.gz FWNFPVOREJKBNS-UHFFFAOYSA-N 0 3 250.342 1.739 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000374159268 391151626 /nfs/dbraw/zinc/15/16/26/391151626.db2.gz LYKWZGNSHNUHKX-IACUBPJLSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000374159268 391151629 /nfs/dbraw/zinc/15/16/29/391151629.db2.gz LYKWZGNSHNUHKX-IACUBPJLSA-N 0 3 274.364 1.800 10 10 CDCEHN Nc1ccc(NC(=O)CCN2CCSCC2)cc1 ZINC000020256913 171111765 /nfs/dbraw/zinc/11/17/65/171111765.db2.gz RMBOIFIXBZDZFS-UHFFFAOYSA-N 0 3 265.382 1.646 10 10 CDCEHN Cc1cc(Br)c(C)c([C@H]([NH3+])CO)c1[O-] ZINC000072199298 176340132 /nfs/dbraw/zinc/34/01/32/176340132.db2.gz ADWOLBMYBMDCFF-MRVPVSSYSA-N 0 3 260.131 1.764 10 10 CDCEHN CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091667600 260266345 /nfs/dbraw/zinc/26/63/45/260266345.db2.gz SMUVVTHMTHSOKV-JSGCOSHPSA-N 0 3 264.369 1.764 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000282786903 263078853 /nfs/dbraw/zinc/07/88/53/263078853.db2.gz QTDDBICMXZAETM-VIFPVBQESA-N 0 3 288.750 1.918 10 10 CDCEHN CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000289358513 263109475 /nfs/dbraw/zinc/10/94/75/263109475.db2.gz KAZYVFZJCYNLAJ-CYBMUJFWSA-N 0 3 298.408 1.248 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296421030 278046996 /nfs/dbraw/zinc/04/69/96/278046996.db2.gz LLKXCTHFNOCFOQ-WCQGTBRESA-N 0 3 260.337 1.636 10 10 CDCEHN COc1ccc(O)c(CNC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000734065831 575155261 /nfs/dbraw/zinc/15/52/61/575155261.db2.gz JFSFTIQEEOJVQK-LBPRGKRZSA-N 0 3 293.367 1.294 10 10 CDCEHN COc1cccc(CNC(=O)Cc2nc[nH]c2C)c1O ZINC001636061818 1166648824 /nfs/dbraw/zinc/64/88/24/1166648824.db2.gz YEWSOTUFUVMQLW-UHFFFAOYSA-N 0 3 275.308 1.291 10 10 CDCEHN COCC[C@H](COC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000381163402 749453423 /nfs/dbraw/zinc/45/34/23/749453423.db2.gz HPLKOYPCKAUUFZ-GFCCVEGCSA-N 0 3 257.305 1.672 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(C)(C)C)c1 ZINC000121882976 749541969 /nfs/dbraw/zinc/54/19/69/749541969.db2.gz OGAHJXRZDVDXIM-SNVBAGLBSA-N 0 3 280.368 1.966 10 10 CDCEHN CN(C)c1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000824726255 750115493 /nfs/dbraw/zinc/11/54/93/750115493.db2.gz JWNWWDBIIZUIQK-AWEZNQCLSA-N 0 3 270.323 1.955 10 10 CDCEHN COCCN(Cc1cc(OC)ccc1O)[C@@H]1CCOC1 ZINC000787334459 751192831 /nfs/dbraw/zinc/19/28/31/751192831.db2.gz MGBJXVPJUWBIIV-CYBMUJFWSA-N 0 3 281.352 1.638 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)[C@@H](C)C2)cc1C ZINC000250104723 752399476 /nfs/dbraw/zinc/39/94/76/752399476.db2.gz RWTLRDDSAJKPBS-AWEZNQCLSA-N 0 3 278.396 1.507 10 10 CDCEHN COC[C@@H](CC[NH2+]Cc1c([O-])cccc1OC)OC ZINC000850344987 753010759 /nfs/dbraw/zinc/01/07/59/753010759.db2.gz FEOBFUGKBAKELU-LLVKDONJSA-N 0 3 269.341 1.542 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CCC[C@]([NH3+])(CO)C2)c1[O-] ZINC000923478480 753040824 /nfs/dbraw/zinc/04/08/24/753040824.db2.gz BSPPWICNDKDFIV-OAHLLOKOSA-N 0 3 296.342 1.020 10 10 CDCEHN C[C@]12COC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284982 936519177 /nfs/dbraw/zinc/51/91/77/936519177.db2.gz XHFWNYQZIHVFJB-FZMZJTMJSA-N 0 3 251.301 2.000 10 10 CDCEHN C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284982 936519180 /nfs/dbraw/zinc/51/91/80/936519180.db2.gz XHFWNYQZIHVFJB-FZMZJTMJSA-N 0 3 251.301 2.000 10 10 CDCEHN CCOc1cccc(CN2CCN(CCO)C[C@@H]2C)c1O ZINC000825337493 931501438 /nfs/dbraw/zinc/50/14/38/931501438.db2.gz GUPQVAVTTQSXHZ-ZDUSSCGKSA-N 0 3 294.395 1.289 10 10 CDCEHN CCN(CCO)CC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000187569440 357780136 /nfs/dbraw/zinc/78/01/36/357780136.db2.gz CCGKFDHHIMKHJT-UHFFFAOYSA-N 0 3 286.803 1.758 10 10 CDCEHN COC[C@@](C)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000271767574 364998047 /nfs/dbraw/zinc/99/80/47/364998047.db2.gz ASTHEMYXMJHGEU-OAHLLOKOSA-N 0 3 299.367 1.287 10 10 CDCEHN Cc1cc(O)c(CN2CCN3CCOC[C@H]3C2)cc1C ZINC000371888998 370427904 /nfs/dbraw/zinc/42/79/04/370427904.db2.gz UJAURXYQEIUFLW-OAHLLOKOSA-N 0 3 276.380 1.525 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000245803100 376180938 /nfs/dbraw/zinc/18/09/38/376180938.db2.gz YBGDGHIRDULDLV-ZBFHGGJFSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000245803100 376180947 /nfs/dbraw/zinc/18/09/47/376180947.db2.gz YBGDGHIRDULDLV-ZBFHGGJFSA-N 0 3 290.407 1.853 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCOC1)OCO2 ZINC000109546038 390642842 /nfs/dbraw/zinc/64/28/42/390642842.db2.gz MUZXCUKYDREYKC-SNVBAGLBSA-N 0 3 251.282 1.390 10 10 CDCEHN COc1cccc(C[NH2+][C@H]2CN3CCC2CC3)c1[O-] ZINC000019946782 170937035 /nfs/dbraw/zinc/93/70/35/170937035.db2.gz JORRJUVBBDSGLN-ZDUSSCGKSA-N 0 3 262.353 1.585 10 10 CDCEHN COc1ccc([C@@H](C)[NH2+]CCNC(C)=O)c([O-])c1 ZINC000020185189 171047927 /nfs/dbraw/zinc/04/79/27/171047927.db2.gz WMNUTTRLTZGPAO-SECBINFHSA-N 0 3 252.314 1.188 10 10 CDCEHN C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(O)cc1[O-] ZINC000037267140 173077207 /nfs/dbraw/zinc/07/72/07/173077207.db2.gz BWIBPXGLDHLEPU-SNVBAGLBSA-N 0 3 250.342 1.843 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000091667521 260266444 /nfs/dbraw/zinc/26/64/44/260266444.db2.gz TXSLTRINXCPVEA-QWHCGFSZSA-N 0 3 264.369 1.682 10 10 CDCEHN C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1[NH+](C)C ZINC000160191592 261207741 /nfs/dbraw/zinc/20/77/41/261207741.db2.gz GGTJJTDLWZMQGO-GWCFXTLKSA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1N(C)C ZINC000160191592 261207743 /nfs/dbraw/zinc/20/77/43/261207743.db2.gz GGTJJTDLWZMQGO-GWCFXTLKSA-N 0 3 252.333 1.913 10 10 CDCEHN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1N(C)C ZINC000160191592 261207745 /nfs/dbraw/zinc/20/77/45/261207745.db2.gz GGTJJTDLWZMQGO-GWCFXTLKSA-N 0 3 252.333 1.913 10 10 CDCEHN CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000049195490 519814582 /nfs/dbraw/zinc/81/45/82/519814582.db2.gz MZGBJPQWHOOZBL-ZDUSSCGKSA-N 0 3 252.358 1.774 10 10 CDCEHN C[C@@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccccc1[O-] ZINC001655346864 1171687320 /nfs/dbraw/zinc/68/73/20/1171687320.db2.gz NIVSORPCDUVLFW-SECBINFHSA-N 0 3 261.277 1.902 10 10 CDCEHN C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723575376 753855103 /nfs/dbraw/zinc/85/51/03/753855103.db2.gz FXUUOYUQXPSFEH-RYUDHWBXSA-N 0 3 262.353 1.911 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724550199 753857465 /nfs/dbraw/zinc/85/74/65/753857465.db2.gz AHSDMCCBRBIRDL-OSMZGAPFSA-N 0 3 267.300 1.425 10 10 CDCEHN CS(=O)(=O)[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000714245361 753981618 /nfs/dbraw/zinc/98/16/18/753981618.db2.gz PIMKFASYUAHAAS-JOCQHMNTSA-N 0 3 281.377 1.287 10 10 CDCEHN CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036959791 754691718 /nfs/dbraw/zinc/69/17/18/754691718.db2.gz ZOIFSYPGYMDMKN-WDEREUQCSA-N 0 3 250.342 1.958 10 10 CDCEHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1CC1CC1 ZINC000716821351 754785031 /nfs/dbraw/zinc/78/50/31/754785031.db2.gz NTGKUQCWNSEAHM-CYBMUJFWSA-N 0 3 260.337 1.493 10 10 CDCEHN CO[C@H](C[NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000826822150 754889721 /nfs/dbraw/zinc/88/97/21/754889721.db2.gz LEGGXQHZNKASKZ-QMTHXVAHSA-N 0 3 269.316 1.672 10 10 CDCEHN CON1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000931553998 755476909 /nfs/dbraw/zinc/47/69/09/755476909.db2.gz JRVKOAMAXQWLOW-KOLCDFICSA-N 0 3 250.298 1.205 10 10 CDCEHN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000826967370 755960547 /nfs/dbraw/zinc/96/05/47/755960547.db2.gz OUZVUFIRHCMNQY-WCQYABFASA-N 0 3 299.754 1.774 10 10 CDCEHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000930351544 756002987 /nfs/dbraw/zinc/00/29/87/756002987.db2.gz PIMJHUPEQBEIGB-CYBMUJFWSA-N 0 3 253.342 1.348 10 10 CDCEHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CO ZINC000930351544 756002991 /nfs/dbraw/zinc/00/29/91/756002991.db2.gz PIMJHUPEQBEIGB-CYBMUJFWSA-N 0 3 253.342 1.348 10 10 CDCEHN CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000866412900 756281090 /nfs/dbraw/zinc/28/10/90/756281090.db2.gz NJNGVOPPZKYWOQ-UONOGXRCSA-N 0 3 290.407 1.814 10 10 CDCEHN C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723575370 756509065 /nfs/dbraw/zinc/50/90/65/756509065.db2.gz FXUUOYUQXPSFEH-NEPJUHHUSA-N 0 3 262.353 1.911 10 10 CDCEHN C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977208 756686736 /nfs/dbraw/zinc/68/67/36/756686736.db2.gz DTPNWFCXCSWFDK-CIUDSAMLSA-N 0 3 253.302 1.687 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@H]2CC(=O)N(C)C2)cc1 ZINC000835037988 756819178 /nfs/dbraw/zinc/81/91/78/756819178.db2.gz SMVUMPCHTXZNTC-NNTXTVRGSA-N 0 3 273.380 1.586 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]CC[C@@H](C)O)c1[O-] ZINC000228674638 756919247 /nfs/dbraw/zinc/91/92/47/756919247.db2.gz WDCIHWVGVKEEIC-MRVPVSSYSA-N 0 3 259.733 1.915 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C2CC(CC(N)=O)C2)c1[O-] ZINC000718505930 757212587 /nfs/dbraw/zinc/21/25/87/757212587.db2.gz XVFNZKAVQCHNLF-UHFFFAOYSA-N 0 3 298.770 1.798 10 10 CDCEHN Cn1nccc1[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000927133025 758302383 /nfs/dbraw/zinc/30/23/83/758302383.db2.gz XSDDEFGAWOMMKY-RISCZKNCSA-N 0 3 273.336 1.436 10 10 CDCEHN C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000404150531 897085007 /nfs/dbraw/zinc/08/50/07/897085007.db2.gz NCTBCYAXEUKWES-RISCZKNCSA-N 0 3 251.326 1.584 10 10 CDCEHN CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000404175979 940954965 /nfs/dbraw/zinc/95/49/65/940954965.db2.gz SANMQBMNRSTPSB-UKRRQHHQSA-N 0 3 265.353 1.974 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)c([O-])c1 ZINC000404171888 940955067 /nfs/dbraw/zinc/95/50/67/940955067.db2.gz OUBOODHCEYWCMG-WFASDCNBSA-N 0 3 265.353 1.893 10 10 CDCEHN C[C@H]1CCN(CC(=O)NCc2ccc(O)cc2O)C1 ZINC001299574467 945559943 /nfs/dbraw/zinc/55/99/43/945559943.db2.gz RCRTZSWBYRVBTJ-JTQLQIEISA-N 0 3 264.325 1.056 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]CCOCCCO)CC2 ZINC001324551303 953437594 /nfs/dbraw/zinc/43/75/94/953437594.db2.gz OQJRUFIIKHFVGL-GFCCVEGCSA-N 0 3 251.326 1.368 10 10 CDCEHN COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000178855300 342532720 /nfs/dbraw/zinc/53/27/20/342532720.db2.gz BFQHONAQNVXLCI-GJZGRUSLSA-N 0 3 295.379 1.381 10 10 CDCEHN COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000178855300 342532721 /nfs/dbraw/zinc/53/27/21/342532721.db2.gz BFQHONAQNVXLCI-GJZGRUSLSA-N 0 3 295.379 1.381 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293887093 378600908 /nfs/dbraw/zinc/60/09/08/378600908.db2.gz VREGWIOTIDTWNN-NEPJUHHUSA-N 0 3 253.342 1.667 10 10 CDCEHN CN(C(=O)c1cn[n-]c1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000662431915 413013386 /nfs/dbraw/zinc/01/33/86/413013386.db2.gz KCTXWLLOLQIECS-LLVKDONJSA-N 0 3 270.336 1.763 10 10 CDCEHN CCOc1ccc([O-])c(C[NH2+][C@@](C)(CCO)COC)c1 ZINC000175850674 391141944 /nfs/dbraw/zinc/14/19/44/391141944.db2.gz ULSPEKHIMIVYMI-HNNXBMFYSA-N 0 3 283.368 1.668 10 10 CDCEHN CC(C)[C@@H](C(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O ZINC000096291029 393173342 /nfs/dbraw/zinc/17/33/42/393173342.db2.gz HJZRFDMPYULVON-LBPRGKRZSA-N 0 3 272.284 1.186 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)ccc1[O-] ZINC000185994618 262075116 /nfs/dbraw/zinc/07/51/16/262075116.db2.gz CHVXJHBUOQHNLH-MWLCHTKSSA-N 0 3 276.315 1.788 10 10 CDCEHN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527767114 330281783 /nfs/dbraw/zinc/28/17/83/330281783.db2.gz RZWBLUMKDDJQSN-BMIGLBTASA-N 0 3 277.320 1.778 10 10 CDCEHN CCOc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1[O-] ZINC000227440390 333282980 /nfs/dbraw/zinc/28/29/80/333282980.db2.gz IZVPVKSOGGRFCB-ZDUSSCGKSA-N 0 3 264.369 1.975 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690792656 1159451568 /nfs/dbraw/zinc/45/15/68/1159451568.db2.gz WJGMWHOOLWDKGB-CMPLNLGQSA-N 0 3 251.301 2.000 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690792656 1159451573 /nfs/dbraw/zinc/45/15/73/1159451573.db2.gz WJGMWHOOLWDKGB-CMPLNLGQSA-N 0 3 251.301 2.000 10 10 CDCEHN N#[N+]C=C([O-])CCCCCCCCC([O-])=C[N+]#N ZINC000037625986 534973909 /nfs/dbraw/zinc/97/39/09/534973909.db2.gz VHBLATWBDHHTHC-UHFFFAOYSA-N 0 3 250.302 1.847 10 10 CDCEHN COC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000895847737 619871884 /nfs/dbraw/zinc/87/18/84/619871884.db2.gz GBFJQDUGESGRFS-AWEZNQCLSA-N 0 3 291.395 1.991 10 10 CDCEHN CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000702518423 758846931 /nfs/dbraw/zinc/84/69/31/758846931.db2.gz SVAMZELIERCQQW-NOZJJQNGSA-N 0 3 257.305 1.579 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090023151 768888735 /nfs/dbraw/zinc/88/87/35/768888735.db2.gz DJCQBKHYGXHCHC-GXSJLCMTSA-N 0 3 262.309 1.190 10 10 CDCEHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CCOC ZINC000052808554 769395126 /nfs/dbraw/zinc/39/51/26/769395126.db2.gz IXSIVZZIMMOUAG-OAHLLOKOSA-N 0 3 293.411 1.465 10 10 CDCEHN O=C1O[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000848573879 770312387 /nfs/dbraw/zinc/31/23/87/770312387.db2.gz KTUHGWJOJJNBTR-OLZOCXBDSA-N 0 3 288.347 1.952 10 10 CDCEHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(C)cc1[O-] ZINC000818361970 770877845 /nfs/dbraw/zinc/87/78/45/770877845.db2.gz MOGAKPKVTDIYAN-CHWSQXEVSA-N 0 3 290.363 1.889 10 10 CDCEHN c1cc(N2CC(NCc3ccc4c(c3)CCCO4)C2)ncn1 ZINC000922308313 771080043 /nfs/dbraw/zinc/08/00/43/771080043.db2.gz NXZMQKKXNWUOAH-UHFFFAOYSA-N 0 3 296.374 1.780 10 10 CDCEHN Cc1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccnn2C)c1 ZINC000858434731 771363988 /nfs/dbraw/zinc/36/39/88/771363988.db2.gz NUMPMAXEDCUZMY-YPMHNXCESA-N 0 3 275.352 1.818 10 10 CDCEHN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(C)cc1[O-] ZINC000818361972 771673670 /nfs/dbraw/zinc/67/36/70/771673670.db2.gz MOGAKPKVTDIYAN-QWHCGFSZSA-N 0 3 290.363 1.889 10 10 CDCEHN C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1O ZINC000868363754 771989836 /nfs/dbraw/zinc/98/98/36/771989836.db2.gz PZKJWTRAQOZVOE-NWDGAFQWSA-N 0 3 277.368 1.847 10 10 CDCEHN CCOc1cccc(CNCC(=O)N(CC)OCC)c1O ZINC000858219353 772678976 /nfs/dbraw/zinc/67/89/76/772678976.db2.gz JASXUNXAAGAGAV-UHFFFAOYSA-N 0 3 296.367 1.681 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(C)=O ZINC000827937830 772843465 /nfs/dbraw/zinc/84/34/65/772843465.db2.gz DIXDXANFHMUIEK-HNNXBMFYSA-N 0 3 265.353 1.944 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(C)=O ZINC000827937830 772843466 /nfs/dbraw/zinc/84/34/66/772843466.db2.gz DIXDXANFHMUIEK-HNNXBMFYSA-N 0 3 265.353 1.944 10 10 CDCEHN CN(C)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1F ZINC000827901797 772849198 /nfs/dbraw/zinc/84/91/98/772849198.db2.gz SSBPUWPTICQHRP-JTQLQIEISA-N 0 3 293.264 1.398 10 10 CDCEHN Cc1cccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1O ZINC000843428648 773558174 /nfs/dbraw/zinc/55/81/74/773558174.db2.gz LNYSJXWVLXNQQE-CYBMUJFWSA-N 0 3 291.395 1.252 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1CCC2(COC2)O1)c1ccccc1[O-] ZINC000931554323 933587570 /nfs/dbraw/zinc/58/75/70/933587570.db2.gz NUXUJBHALPPANC-VXGBXAGGSA-N 0 3 263.337 1.991 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)C[C@@H]2C)cc1Cl ZINC001328759176 955460260 /nfs/dbraw/zinc/46/02/60/955460260.db2.gz MKWYYUSNMUQHPP-LBPRGKRZSA-N 0 3 298.814 1.852 10 10 CDCEHN O[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001319964615 958819438 /nfs/dbraw/zinc/81/94/38/958819438.db2.gz WPBHFVVHAHNIRQ-IYBDPMFKSA-N 0 3 276.380 1.214 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093739660 342425858 /nfs/dbraw/zinc/42/58/58/342425858.db2.gz SPYKCMHVNKTABS-MRXNPFEDSA-N 0 3 291.439 1.641 10 10 CDCEHN CCOc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1[O-] ZINC000282510049 364138101 /nfs/dbraw/zinc/13/81/01/364138101.db2.gz XJDIGYDNCXENDQ-PWSUYJOCSA-N 0 3 278.352 1.548 10 10 CDCEHN CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000289342871 369547334 /nfs/dbraw/zinc/54/73/34/369547334.db2.gz IBSBMANIKFECTL-UHFFFAOYSA-N 0 3 298.408 1.153 10 10 CDCEHN COc1ccc(N2CCN(CC[C@H](C)O)CC2)cc1 ZINC000044123746 617580415 /nfs/dbraw/zinc/58/04/15/617580415.db2.gz WGORVDYMBWPBAB-ZDUSSCGKSA-N 0 3 264.369 1.588 10 10 CDCEHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000905741112 626955394 /nfs/dbraw/zinc/95/53/94/626955394.db2.gz CDICOTDQMXARLH-IINYFYTJSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000905741112 626955397 /nfs/dbraw/zinc/95/53/97/626955397.db2.gz CDICOTDQMXARLH-IINYFYTJSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000905741112 626955399 /nfs/dbraw/zinc/95/53/99/626955399.db2.gz CDICOTDQMXARLH-IINYFYTJSA-N 0 3 279.336 1.429 10 10 CDCEHN CN(C)c1ccc(/C=C\CN(C)CCOCCO)cc1 ZINC000835049416 777802074 /nfs/dbraw/zinc/80/20/74/777802074.db2.gz IPDGGWPTMKHYES-PLNGDYQASA-N 0 3 278.396 1.707 10 10 CDCEHN CCN1CCO[C@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000252804936 774087329 /nfs/dbraw/zinc/08/73/29/774087329.db2.gz DVUMCWAOLDZKEK-DGCLKSJQSA-N 0 3 282.359 1.903 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1)OCO2 ZINC000312375832 774113934 /nfs/dbraw/zinc/11/39/34/774113934.db2.gz DCZRWDYUDACKQM-ZYHUDNBSSA-N 0 3 279.336 1.762 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)c([O-])c1 ZINC000706722690 774497697 /nfs/dbraw/zinc/49/76/97/774497697.db2.gz NRTIWJWFVSFVEO-JKOKRWQUSA-N 0 3 251.326 1.501 10 10 CDCEHN COc1c([O-])c(CN[C@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088618 774837201 /nfs/dbraw/zinc/83/72/01/774837201.db2.gz BBOIGHIEOYHZFV-NSHDSACASA-N 0 3 295.339 1.541 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC1(CCO)CC1 ZINC000778216934 775209495 /nfs/dbraw/zinc/20/94/95/775209495.db2.gz SNRDRFWZJOXRJJ-UHFFFAOYSA-N 0 3 251.326 1.653 10 10 CDCEHN COc1ccc(O)c(CN(C)C[C@H]2CN(C)CCO2)c1 ZINC000709429206 776510411 /nfs/dbraw/zinc/51/04/11/776510411.db2.gz YPHBYIZURVGGBV-CQSZACIVSA-N 0 3 280.368 1.163 10 10 CDCEHN CCOc1ccc(C[NH2+]CC[C@@]2(O)CCOC2)c([O-])c1 ZINC000846048263 777274561 /nfs/dbraw/zinc/27/45/61/777274561.db2.gz FBKQYXZCXRNVQN-OAHLLOKOSA-N 0 3 281.352 1.422 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](C)NC2)c1 ZINC000863545932 777628649 /nfs/dbraw/zinc/62/86/49/777628649.db2.gz IYKHRYNBDLFZTJ-MDZLAQPJSA-N 0 3 292.379 1.970 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863545932 777628659 /nfs/dbraw/zinc/62/86/59/777628659.db2.gz IYKHRYNBDLFZTJ-MDZLAQPJSA-N 0 3 292.379 1.970 10 10 CDCEHN CCN1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000049226472 779549604 /nfs/dbraw/zinc/54/96/04/779549604.db2.gz JVNVRBTXBQUZFZ-ZDUSSCGKSA-N 0 3 262.357 1.875 10 10 CDCEHN CNC(=O)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000787325488 779774532 /nfs/dbraw/zinc/77/45/32/779774532.db2.gz YLHZIQYVAJXPNV-LBPRGKRZSA-N 0 3 254.305 1.392 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c1 ZINC000817970927 779863757 /nfs/dbraw/zinc/86/37/57/779863757.db2.gz HSICWOMTVLOUHM-UHIISALHSA-N 0 3 292.379 1.827 10 10 CDCEHN CCc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O ZINC000703136659 779893128 /nfs/dbraw/zinc/89/31/28/779893128.db2.gz CIFIVFCNVRZBGO-ZDUSSCGKSA-N 0 3 298.408 1.078 10 10 CDCEHN CCCN1CCCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001593872688 1174173361 /nfs/dbraw/zinc/17/33/61/1174173361.db2.gz ATTBONNTGQUCJF-CQSZACIVSA-N 0 3 292.379 1.979 10 10 CDCEHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181034373 357306328 /nfs/dbraw/zinc/30/63/28/357306328.db2.gz FERDBLIZJWDGLD-FUEXJSSKSA-N 0 3 276.336 1.274 10 10 CDCEHN Cc1cc(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1C ZINC000116870063 359647636 /nfs/dbraw/zinc/64/76/36/359647636.db2.gz ALYQJOOKUDRFMT-CYBMUJFWSA-N 0 3 298.408 1.133 10 10 CDCEHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170826688 365132893 /nfs/dbraw/zinc/13/28/93/365132893.db2.gz NWEYRUVMTCYGNH-OAHLLOKOSA-N 0 3 290.411 1.598 10 10 CDCEHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCNC1=O ZINC000282504981 367918653 /nfs/dbraw/zinc/91/86/53/367918653.db2.gz RFWGSPDKQHXENC-ZDUSSCGKSA-N 0 3 262.353 1.883 10 10 CDCEHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCNC1=O ZINC000282504981 367918658 /nfs/dbraw/zinc/91/86/58/367918658.db2.gz RFWGSPDKQHXENC-ZDUSSCGKSA-N 0 3 262.353 1.883 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000285218928 368598386 /nfs/dbraw/zinc/59/83/86/368598386.db2.gz RQJIQLDMHDHHKU-WFASDCNBSA-N 0 3 297.395 1.648 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195007984 391374330 /nfs/dbraw/zinc/37/43/30/391374330.db2.gz UQQNYANVHWBUSQ-PRHODGIISA-N 0 3 282.771 1.968 10 10 CDCEHN CC(C)[C@@H](C[NH2+]Cc1ccc(O)cc1[O-])N(C)C ZINC000020145575 171031246 /nfs/dbraw/zinc/03/12/46/171031246.db2.gz NVQZJQNMDZAPLK-CYBMUJFWSA-N 0 3 252.358 1.774 10 10 CDCEHN CCN1CCO[C@@H](CNCc2ccc(OC)c(C)c2)C1 ZINC000071880818 176288188 /nfs/dbraw/zinc/28/81/88/176288188.db2.gz SDNLRYOJIYCQJO-HNNXBMFYSA-N 0 3 278.396 1.814 10 10 CDCEHN CN1CCO[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297128983 277119656 /nfs/dbraw/zinc/11/96/56/277119656.db2.gz YVKZOIOVBPCQLQ-QWHCGFSZSA-N 0 3 262.353 1.300 10 10 CDCEHN CC(C)(C)[C@H](CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000278587086 327176442 /nfs/dbraw/zinc/17/64/42/327176442.db2.gz DQOVHBVOYNSBKK-ZDUSSCGKSA-N 0 3 267.325 1.618 10 10 CDCEHN CCN(C)c1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000773752507 575837899 /nfs/dbraw/zinc/83/78/99/575837899.db2.gz CQGHBYCQUBBODK-GASCZTMLSA-N 0 3 264.369 1.070 10 10 CDCEHN COc1cccc(C[NH2+]C2(CCO)CCOCC2)c1[O-] ZINC000761995561 576611331 /nfs/dbraw/zinc/61/13/31/576611331.db2.gz ZUXKBDFKPXUGCL-UHFFFAOYSA-N 0 3 281.352 1.422 10 10 CDCEHN O=C1N(CC[NH2+]Cc2ccccc2[O-])C[C@H]2CCCCN12 ZINC000895342082 619587398 /nfs/dbraw/zinc/58/73/98/619587398.db2.gz LYWCPUHKYWQOOM-CQSZACIVSA-N 0 3 289.379 1.772 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721600 619814390 /nfs/dbraw/zinc/81/43/90/619814390.db2.gz DBWHHAGVQIEAFF-CQSZACIVSA-N 0 3 277.364 1.756 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721600 619814392 /nfs/dbraw/zinc/81/43/92/619814392.db2.gz DBWHHAGVQIEAFF-CQSZACIVSA-N 0 3 277.364 1.756 10 10 CDCEHN COc1ccc(CNC(=[NH2+])N[C@H](C)C2CC2)c([O-])c1 ZINC000899271779 622136667 /nfs/dbraw/zinc/13/66/67/622136667.db2.gz NFZVAEYTRKWJJY-SECBINFHSA-N 0 3 263.341 1.813 10 10 CDCEHN Nc1ccnc(CNCc2ccc3c(c2)CCO3)c1 ZINC000903950619 626165165 /nfs/dbraw/zinc/16/51/65/626165165.db2.gz OTOIOIKINGVVSQ-UHFFFAOYSA-N 0 3 255.321 1.889 10 10 CDCEHN CC(C)N1CCC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001643885026 1167277313 /nfs/dbraw/zinc/27/73/13/1167277313.db2.gz GJZPCMZMEMIKLH-ZDUSSCGKSA-N 0 3 278.352 1.587 10 10 CDCEHN CC(C)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001597579022 1174282856 /nfs/dbraw/zinc/28/28/56/1174282856.db2.gz GRALGNCJBWFLGE-GFCCVEGCSA-N 0 3 278.352 1.587 10 10 CDCEHN CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000163918313 783216432 /nfs/dbraw/zinc/21/64/32/783216432.db2.gz OGNIRRIUDPYBMT-STQMWFEESA-N 0 3 264.369 1.764 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2C[C@@H](O)C[C@H]2CO)cc1 ZINC000835046443 936715311 /nfs/dbraw/zinc/71/53/11/936715311.db2.gz JSAMOIBOLLWDGE-HFZJXRFXSA-N 0 3 276.380 1.193 10 10 CDCEHN COc1ccc(O)c(CNC2(C(=O)N(C)C)CC2)c1 ZINC000840957302 936969765 /nfs/dbraw/zinc/96/97/65/936969765.db2.gz KSGWMHWNLSQWPP-UHFFFAOYSA-N 0 3 264.325 1.111 10 10 CDCEHN O=[S@](CC[NH2+]Cc1ccccc1[O-])CC(F)(F)F ZINC000850347962 927418590 /nfs/dbraw/zinc/41/85/90/927418590.db2.gz BUKZIYOZJJJRCH-GOSISDBHSA-N 0 3 281.299 1.793 10 10 CDCEHN C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)ccc1[O-] ZINC000850506629 927438339 /nfs/dbraw/zinc/43/83/39/927438339.db2.gz GEKPUQCDCCNINW-IAQYHMDHSA-N 0 3 299.342 1.350 10 10 CDCEHN CCN(C[C@H]1CNCCO1)c1ccc(OC)c(OC)c1 ZINC000852744946 927859297 /nfs/dbraw/zinc/85/92/97/927859297.db2.gz LLLBMMCLEXMDFI-CYBMUJFWSA-N 0 3 280.368 1.519 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CNCC[C@H]2C)c1 ZINC000817969240 930653998 /nfs/dbraw/zinc/65/39/98/930653998.db2.gz SOFDDFRDBOQYOA-SUNKGSAMSA-N 0 3 292.379 1.827 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817969240 930654005 /nfs/dbraw/zinc/65/40/05/930654005.db2.gz SOFDDFRDBOQYOA-SUNKGSAMSA-N 0 3 292.379 1.827 10 10 CDCEHN C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)[NH3+] ZINC000817977211 930654656 /nfs/dbraw/zinc/65/46/56/930654656.db2.gz DTPNWFCXCSWFDK-YIZRAAEISA-N 0 3 253.302 1.687 10 10 CDCEHN CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccccc1[O-] ZINC000786946000 931301647 /nfs/dbraw/zinc/30/16/47/931301647.db2.gz PETVWZAOWXCBAD-CYBMUJFWSA-N 0 3 283.393 1.868 10 10 CDCEHN C[C@H](NCC1=NOCC1)c1ccc(N2CCOCC2)cc1 ZINC001459869768 969454048 /nfs/dbraw/zinc/45/40/48/969454048.db2.gz WTSNVNPIYPFCGH-ZDUSSCGKSA-N 0 3 289.379 1.950 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845525 781948636 /nfs/dbraw/zinc/94/86/36/781948636.db2.gz KCFDLXIQVBPPPO-GFCCVEGCSA-N 0 3 258.325 1.506 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845525 781948646 /nfs/dbraw/zinc/94/86/46/781948646.db2.gz KCFDLXIQVBPPPO-GFCCVEGCSA-N 0 3 258.325 1.506 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000281807519 363844114 /nfs/dbraw/zinc/84/41/14/363844114.db2.gz PVWHZGOKSKOPDO-BXKDBHETSA-N 0 3 264.325 1.158 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(N(C)C)cc2)CC1=O ZINC000374153762 391151667 /nfs/dbraw/zinc/15/16/67/391151667.db2.gz MXJMORMNWGPXCG-INWMFGNUSA-N 0 3 287.407 1.852 10 10 CDCEHN COc1cc(Cl)cc(C[N@H+](C)CCCO)c1[O-] ZINC000281837659 391409005 /nfs/dbraw/zinc/40/90/05/391409005.db2.gz SNQKRHFMERQILC-UHFFFAOYSA-N 0 3 259.733 1.868 10 10 CDCEHN COc1cc(Cl)cc(C[N@@H+](C)CCCO)c1[O-] ZINC000281837659 391409008 /nfs/dbraw/zinc/40/90/08/391409008.db2.gz SNQKRHFMERQILC-UHFFFAOYSA-N 0 3 259.733 1.868 10 10 CDCEHN CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091667601 260266371 /nfs/dbraw/zinc/26/63/71/260266371.db2.gz SMUVVTHMTHSOKV-GXTWGEPZSA-N 0 3 264.369 1.764 10 10 CDCEHN COc1ccc([O-])c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000180302507 329219267 /nfs/dbraw/zinc/21/92/67/329219267.db2.gz PZGKHWRRSGFSDR-HBBFGDNQSA-N 0 3 277.364 1.994 10 10 CDCEHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000180302507 329219269 /nfs/dbraw/zinc/21/92/69/329219269.db2.gz PZGKHWRRSGFSDR-HBBFGDNQSA-N 0 3 277.364 1.994 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]CCN1CC=CCC1)OCO2 ZINC000279677748 526336152 /nfs/dbraw/zinc/33/61/52/526336152.db2.gz IOVUJQGTPQTEKN-UHFFFAOYSA-N 0 3 276.336 1.472 10 10 CDCEHN COc1cc(O)c(C[NH2+]Cc2ncccc2[O-])cc1OC ZINC000793258098 1162406568 /nfs/dbraw/zinc/40/65/68/1162406568.db2.gz GUBYUPWMCGPSKU-UHFFFAOYSA-N 0 3 290.319 1.800 10 10 CDCEHN CC[C@H]([NH2+]CCc1nnnn1C)c1ccc(C)cc1[O-] ZINC000794812651 1164610489 /nfs/dbraw/zinc/61/04/89/1164610489.db2.gz YHFUYEMXWMLLRF-LBPRGKRZSA-N 0 3 275.356 1.508 10 10 CDCEHN COc1ccc(C[NH2+][C@@H]2COCC2(C)C)c([O-])c1 ZINC000313015224 913294607 /nfs/dbraw/zinc/29/46/07/913294607.db2.gz FJZKRRHGROWGNH-CYBMUJFWSA-N 0 3 251.326 1.915 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(F)ccc1[O-] ZINC000724593859 896982437 /nfs/dbraw/zinc/98/24/37/896982437.db2.gz IOMVLOZZXVJZEH-HOZXKAFVSA-N 0 3 281.327 1.986 10 10 CDCEHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc(O)ccc1O ZINC001176747984 914237880 /nfs/dbraw/zinc/23/78/80/914237880.db2.gz HAHAGIPTMCZMIZ-GHMZBOCLSA-N 0 3 278.352 1.587 10 10 CDCEHN CC[C@@H]([NH2+]C1COCCOC1)c1ccccc1[O-] ZINC000311040301 898632520 /nfs/dbraw/zinc/63/25/20/898632520.db2.gz FALNSXCFHAWAEC-CYBMUJFWSA-N 0 3 251.326 1.848 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCNC1=O ZINC000840950328 906750045 /nfs/dbraw/zinc/75/00/45/906750045.db2.gz GVFVWDLRNVFDSP-AWEZNQCLSA-N 0 3 261.369 1.429 10 10 CDCEHN FC1(F)CCNC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841075799 936974338 /nfs/dbraw/zinc/97/43/38/936974338.db2.gz XJYRNPGZMLXADH-CYBMUJFWSA-N 0 3 268.307 1.708 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000776253215 926484921 /nfs/dbraw/zinc/48/49/21/926484921.db2.gz TZTAMGQMGQJQQE-SECBINFHSA-N 0 3 291.800 1.877 10 10 CDCEHN [O-]c1ccc(Br)cc1CNCC12CC(C1)C[NH2+]2 ZINC000853246949 927990884 /nfs/dbraw/zinc/99/08/84/927990884.db2.gz WZWMPHGGPSGWSR-UHFFFAOYSA-N 0 3 297.196 1.996 10 10 CDCEHN COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862475303 929419317 /nfs/dbraw/zinc/41/93/17/929419317.db2.gz GSUJIQURFLDRCW-AWEZNQCLSA-N 0 3 283.299 1.295 10 10 CDCEHN COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862475303 929419320 /nfs/dbraw/zinc/41/93/20/929419320.db2.gz GSUJIQURFLDRCW-AWEZNQCLSA-N 0 3 283.299 1.295 10 10 CDCEHN CCOc1ccc(C[NH2+][C@@](C)(CO)COC)c([O-])c1 ZINC000777483574 931478081 /nfs/dbraw/zinc/47/80/81/931478081.db2.gz UQLOZWBXGZOYAZ-AWEZNQCLSA-N 0 3 269.341 1.278 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC2(COC2)O1 ZINC000929977519 933293430 /nfs/dbraw/zinc/29/34/30/933293430.db2.gz VRMBDOCBLYLVEQ-CYBMUJFWSA-N 0 3 263.337 1.772 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC2(COC2)O1 ZINC000929977519 933293436 /nfs/dbraw/zinc/29/34/36/933293436.db2.gz VRMBDOCBLYLVEQ-CYBMUJFWSA-N 0 3 263.337 1.772 10 10 CDCEHN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090026871 934814293 /nfs/dbraw/zinc/81/42/93/934814293.db2.gz OJBKGAIARZVLDE-NEPJUHHUSA-N 0 3 276.336 1.580 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(F)ccc1[O-] ZINC000094618459 934935602 /nfs/dbraw/zinc/93/56/02/934935602.db2.gz SQJYLDCUEZBXTE-KCJUWKMLSA-N 0 3 280.299 1.329 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404145643 940953533 /nfs/dbraw/zinc/95/35/33/940953533.db2.gz KUHRQHFINXFLQE-ZDUSSCGKSA-N 0 3 255.289 1.162 10 10 CDCEHN COc1ccc(CN[C@@H](C(N)=O)C(C)C)cc1C ZINC000223964103 539087837 /nfs/dbraw/zinc/08/78/37/539087837.db2.gz CQRKFHWLYIJJAE-CYBMUJFWSA-N 0 3 250.342 1.603 10 10 CDCEHN [O-]c1c(O)ccc2c1C[NH2+]C[C@@H]2c1ccc(O)c(O)c1 ZINC000034350047 356812598 /nfs/dbraw/zinc/81/25/98/356812598.db2.gz FULLEMQICAKPOE-SNVBAGLBSA-N 0 3 273.288 1.744 10 10 CDCEHN COc1ccc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000179667400 357219124 /nfs/dbraw/zinc/21/91/24/357219124.db2.gz DRDBYYWDLVFCPJ-FUNVUKJBSA-N 0 3 263.337 1.889 10 10 CDCEHN COc1ccc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000179667400 357219126 /nfs/dbraw/zinc/21/91/26/357219126.db2.gz DRDBYYWDLVFCPJ-FUNVUKJBSA-N 0 3 263.337 1.889 10 10 CDCEHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000180248793 357255383 /nfs/dbraw/zinc/25/53/83/357255383.db2.gz DOFBJOJBXPEBRK-WFASDCNBSA-N 0 3 294.370 1.684 10 10 CDCEHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000180248793 357255386 /nfs/dbraw/zinc/25/53/86/357255386.db2.gz DOFBJOJBXPEBRK-WFASDCNBSA-N 0 3 294.370 1.684 10 10 CDCEHN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000237508288 359883462 /nfs/dbraw/zinc/88/34/62/359883462.db2.gz LULRUWJZSNBBNP-YPMHNXCESA-N 0 3 291.370 1.508 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091666741 360245102 /nfs/dbraw/zinc/24/51/02/360245102.db2.gz ZTFMMQODFNDFOR-RYUDHWBXSA-N 0 3 250.342 1.373 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[O-] ZINC000193650848 375890041 /nfs/dbraw/zinc/89/00/41/375890041.db2.gz YKTJDRMVLWQCCP-BETUJISGSA-N 0 3 292.354 1.727 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[O-] ZINC000193650848 375890043 /nfs/dbraw/zinc/89/00/43/375890043.db2.gz YKTJDRMVLWQCCP-BETUJISGSA-N 0 3 292.354 1.727 10 10 CDCEHN c1nc2n(n1)C[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069486458 378144183 /nfs/dbraw/zinc/14/41/83/378144183.db2.gz PRAWLPUYNNQVTA-ZDUSSCGKSA-N 0 3 270.336 1.318 10 10 CDCEHN COCCN1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000120773857 390876006 /nfs/dbraw/zinc/87/60/06/390876006.db2.gz YDPZGOBBJAQPIQ-HNNXBMFYSA-N 0 3 291.439 1.905 10 10 CDCEHN COC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264752138 391144041 /nfs/dbraw/zinc/14/40/41/391144041.db2.gz GUQMLOHXPLKOSJ-MRXNPFEDSA-N 0 3 278.396 1.724 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000182663021 391239352 /nfs/dbraw/zinc/23/93/52/391239352.db2.gz MRANQRFJKGNPAS-ZDUSSCGKSA-N 0 3 271.744 1.595 10 10 CDCEHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1N1CCOCC1 ZINC000179584589 391212734 /nfs/dbraw/zinc/21/27/34/391212734.db2.gz ZCSDLLJSIIQVTL-HIFRSBDPSA-N 0 3 276.380 1.545 10 10 CDCEHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1N1CCOCC1 ZINC000179584589 391212737 /nfs/dbraw/zinc/21/27/37/391212737.db2.gz ZCSDLLJSIIQVTL-HIFRSBDPSA-N 0 3 276.380 1.545 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000183596972 391266639 /nfs/dbraw/zinc/26/66/39/391266639.db2.gz PJYPKRDXIBHVFA-QWRGUYRKSA-N 0 3 258.325 1.649 10 10 CDCEHN COc1ccc([C@H](C)[NH2+]CCNC(C)=O)c([O-])c1 ZINC000020185191 171048295 /nfs/dbraw/zinc/04/82/95/171048295.db2.gz WMNUTTRLTZGPAO-VIFPVBQESA-N 0 3 252.314 1.188 10 10 CDCEHN Nc1ccc(CC(=O)N[C@H]2CN3CCC2CC3)cc1 ZINC000022216583 171375768 /nfs/dbraw/zinc/37/57/68/171375768.db2.gz DFUSCORGXXTCKD-AWEZNQCLSA-N 0 3 259.353 1.022 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(O)ccc1[O-] ZINC000038082774 174091693 /nfs/dbraw/zinc/09/16/93/174091693.db2.gz FESOCGCQJHRXNQ-ZJUUUORDSA-N 0 3 285.365 1.183 10 10 CDCEHN COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)c([O-])c1 ZINC000042545248 174786385 /nfs/dbraw/zinc/78/63/85/174786385.db2.gz RSCILAVNICMRBN-MNOVXSKESA-N 0 3 250.342 1.756 10 10 CDCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296950301 263198776 /nfs/dbraw/zinc/19/87/76/263198776.db2.gz QTAXDVPZOMBEAE-CHWSQXEVSA-N 0 3 289.379 1.773 10 10 CDCEHN Cc1cc(I)cc([C@@H]([NH3+])CO)c1[O-] ZINC000072199718 280535816 /nfs/dbraw/zinc/53/58/16/280535816.db2.gz MYSMSSFNKFRZFF-QMMMGPOBSA-N 0 3 293.104 1.297 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282265114 295168606 /nfs/dbraw/zinc/16/86/06/295168606.db2.gz KDDBXLZUAGGBSV-OUJBWJOFSA-N 0 3 278.352 1.719 10 10 CDCEHN COC[C@@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000171971861 329082523 /nfs/dbraw/zinc/08/25/23/329082523.db2.gz CDQRCRVIPHHUBW-HNNXBMFYSA-N 0 3 294.395 1.215 10 10 CDCEHN O=C1NC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC000156063591 527074295 /nfs/dbraw/zinc/07/42/95/527074295.db2.gz VXHULNCYWKVNKX-CYBMUJFWSA-N 0 3 297.358 1.755 10 10 CDCEHN O=C1NC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC000156063591 527074302 /nfs/dbraw/zinc/07/43/02/527074302.db2.gz VXHULNCYWKVNKX-CYBMUJFWSA-N 0 3 297.358 1.755 10 10 CDCEHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(C)C1 ZINC000725846928 574443992 /nfs/dbraw/zinc/44/39/92/574443992.db2.gz YFPAZSRLOWYHSG-NSHDSACASA-N 0 3 250.342 1.585 10 10 CDCEHN CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000312836536 1159642217 /nfs/dbraw/zinc/64/22/17/1159642217.db2.gz OJZBVNDBRLGCKH-GHMZBOCLSA-N 0 3 274.320 1.117 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]CCc2nc(C)n[nH]2)c1[O-] ZINC000392341222 1187279516 /nfs/dbraw/zinc/27/95/16/1187279516.db2.gz DKLFKCMZOOFIHL-UHFFFAOYSA-N 0 3 296.758 1.813 10 10 CDCEHN C[C@@H]([NH2+]C[C@@]1(O)CCCOC1)c1ccccc1[O-] ZINC000879650208 783876009 /nfs/dbraw/zinc/87/60/09/783876009.db2.gz PMPKWQGJJZOGEB-RISCZKNCSA-N 0 3 251.326 1.584 10 10 CDCEHN OC[C@@H]1C=CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931700006 783891820 /nfs/dbraw/zinc/89/18/20/783891820.db2.gz JQLPOEHNEFVINI-INIZCTEOSA-N 0 3 274.364 1.256 10 10 CDCEHN CC[C@H](N[C@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434789 784056642 /nfs/dbraw/zinc/05/66/42/784056642.db2.gz PURVZPHYRWJMGI-QWHCGFSZSA-N 0 3 275.352 1.900 10 10 CDCEHN COC(=O)C1=CC[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000862465565 785142892 /nfs/dbraw/zinc/14/28/92/785142892.db2.gz RMQJVVFCUOMOON-LLVKDONJSA-N 0 3 277.320 1.752 10 10 CDCEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090023647 785821575 /nfs/dbraw/zinc/82/15/75/785821575.db2.gz WSRKYCMTOAZWEA-SMDDNHRTSA-N 0 3 289.379 1.551 10 10 CDCEHN NC(=O)C1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226608662 785846634 /nfs/dbraw/zinc/84/66/34/785846634.db2.gz GICUPUNEYKPNAJ-UHFFFAOYSA-N 0 3 266.316 1.665 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000841098141 786046568 /nfs/dbraw/zinc/04/65/68/786046568.db2.gz DJFBJLVMCHJVMU-LBPRGKRZSA-N 0 3 270.760 1.432 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CCc1cn(C)cn1 ZINC000839149879 786121211 /nfs/dbraw/zinc/12/12/11/786121211.db2.gz TWLPTISQFSGIAF-UHFFFAOYSA-N 0 3 261.325 1.467 10 10 CDCEHN Cc1ccc([C@H](C)N[C@@H](CO)c2ccnn2C)c(O)c1 ZINC000858434813 786341482 /nfs/dbraw/zinc/34/14/82/786341482.db2.gz QDMDJLKLSDYVMX-AAEUAGOBSA-N 0 3 275.352 1.818 10 10 CDCEHN COc1cccc(O)c1CN1CC[C@@](O)(C(F)F)C1 ZINC000824726184 786361679 /nfs/dbraw/zinc/36/16/79/786361679.db2.gz IBNXMXXRUCYODX-ZDUSSCGKSA-N 0 3 273.279 1.603 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000706772673 786401435 /nfs/dbraw/zinc/40/14/35/786401435.db2.gz AVJIAQPCSSBWSX-QWRKXWFKSA-N 0 3 255.289 1.332 10 10 CDCEHN COc1ccc(O)c(CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC000847590913 786533870 /nfs/dbraw/zinc/53/38/70/786533870.db2.gz KIRGVWKPJMMDMR-LLVKDONJSA-N 0 3 278.352 1.359 10 10 CDCEHN CCN(CC)c1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000853249233 787635778 /nfs/dbraw/zinc/63/57/78/787635778.db2.gz JBKDAJRIMKAQAY-UHFFFAOYSA-N 0 3 289.423 1.707 10 10 CDCEHN Cc1cc(Cl)cc([C@H](C)N[C@H]2CNOC2)c1O ZINC000925867493 788323711 /nfs/dbraw/zinc/32/37/11/788323711.db2.gz TZBFCZXQQZGDOI-WPRPVWTQSA-N 0 3 256.733 1.908 10 10 CDCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CNOC2)c1[O-] ZINC000925867493 788323721 /nfs/dbraw/zinc/32/37/21/788323721.db2.gz TZBFCZXQQZGDOI-WPRPVWTQSA-N 0 3 256.733 1.908 10 10 CDCEHN Cc1cccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O ZINC000846102390 788676254 /nfs/dbraw/zinc/67/62/54/788676254.db2.gz FCDOUGBIBDNSKJ-NVGCLXPQSA-N 0 3 251.351 1.406 10 10 CDCEHN Cc1cc([O-])c(CN(C)C[C@H](O)C[NH3+])c(Cl)c1 ZINC000841091716 788679039 /nfs/dbraw/zinc/67/90/39/788679039.db2.gz DLQWKLYGKUIHNV-SECBINFHSA-N 0 3 258.749 1.105 10 10 CDCEHN CN(C)c1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1 ZINC000708353745 789406674 /nfs/dbraw/zinc/40/66/74/789406674.db2.gz NVDXFBNZLJDJIU-UHFFFAOYSA-N 0 3 299.440 1.170 10 10 CDCEHN C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])CS1(=O)=O ZINC000827164024 936496675 /nfs/dbraw/zinc/49/66/75/936496675.db2.gz BIDFSWQXEFHZBP-CABZTGNLSA-N 0 3 287.356 1.587 10 10 CDCEHN CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001447424706 966784430 /nfs/dbraw/zinc/78/44/30/966784430.db2.gz DFQOTXRAKNCQJM-NSHDSACASA-N 0 3 278.352 1.700 10 10 CDCEHN CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001447424706 966784432 /nfs/dbraw/zinc/78/44/32/966784432.db2.gz DFQOTXRAKNCQJM-NSHDSACASA-N 0 3 278.352 1.700 10 10 CDCEHN CC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@@H](O)C(F)F ZINC000294992829 199289516 /nfs/dbraw/zinc/28/95/16/199289516.db2.gz HSGQUSDIJOKQOS-CMPLNLGQSA-N 0 3 275.295 1.895 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367701218 372651538 /nfs/dbraw/zinc/65/15/38/372651538.db2.gz YEWVOZHGEYQIFG-NZPIUUIZSA-N 0 3 263.337 1.944 10 10 CDCEHN CN1CCc2cc(CNC[C@@H]3CN(C)CCO3)ccc21 ZINC000091666827 260266176 /nfs/dbraw/zinc/26/61/76/260266176.db2.gz JUYMXYBJRUTQGD-OAHLLOKOSA-N 0 3 275.396 1.099 10 10 CDCEHN COC[C@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000171971859 329082555 /nfs/dbraw/zinc/08/25/55/329082555.db2.gz CDQRCRVIPHHUBW-OAHLLOKOSA-N 0 3 294.395 1.215 10 10 CDCEHN Oc1cc2c(cc1CN1CCN3CCCC[C@H]3C1)OCO2 ZINC000245884635 334222863 /nfs/dbraw/zinc/22/28/63/334222863.db2.gz IOOGJUMETYPTGP-ZDUSSCGKSA-N 0 3 290.363 1.791 10 10 CDCEHN COc1ccc(N2CCN(CC[C@@H](C)O)CC2)cc1 ZINC000044123751 617580473 /nfs/dbraw/zinc/58/04/73/617580473.db2.gz WGORVDYMBWPBAB-CYBMUJFWSA-N 0 3 264.369 1.588 10 10 CDCEHN C[C@H](N[C@H]1CNOC1)c1cc2c(cc1O)CCCC2 ZINC000925868628 617924235 /nfs/dbraw/zinc/92/42/35/617924235.db2.gz FHXMINNTVBKPNM-GWCFXTLKSA-N 0 3 262.353 1.825 10 10 CDCEHN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000919657637 632649294 /nfs/dbraw/zinc/64/92/94/632649294.db2.gz UKADONLAGBFGPH-CYBMUJFWSA-N 0 3 277.368 1.628 10 10 CDCEHN C[C@H]([NH2+]CC(=O)Nc1cccnn1)c1ccccc1[O-] ZINC001655349719 1171687618 /nfs/dbraw/zinc/68/76/18/1171687618.db2.gz QKLBQKBVJGMENM-JTQLQIEISA-N 0 3 272.308 1.472 10 10 CDCEHN C[C@H](NCC(=O)Nc1cccnn1)c1ccccc1O ZINC001655349719 1171687621 /nfs/dbraw/zinc/68/76/21/1171687621.db2.gz QKLBQKBVJGMENM-JTQLQIEISA-N 0 3 272.308 1.472 10 10 CDCEHN C[C@@H]([NH2+]C[C@H](O)C1(O)CCCC1)c1ccccc1[O-] ZINC000931554048 790892380 /nfs/dbraw/zinc/89/23/80/790892380.db2.gz KKXPJOZGBRWQFR-RISCZKNCSA-N 0 3 265.353 1.709 10 10 CDCEHN [NH2+]=C(NCc1cc(Br)ccc1[O-])NC1CC1 ZINC000849027712 789915789 /nfs/dbraw/zinc/91/57/89/789915789.db2.gz HXCAWYJZQUGHLU-UHFFFAOYSA-N 0 3 284.157 1.931 10 10 CDCEHN CCN(C)c1ccc([C@H](C)N[C@H]2CCNC2=O)cc1 ZINC000850480460 789990818 /nfs/dbraw/zinc/99/08/18/789990818.db2.gz BODDLWVKDXFRKG-FZMZJTMJSA-N 0 3 261.369 1.682 10 10 CDCEHN COC[C@](C)(CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835044810 790009366 /nfs/dbraw/zinc/00/93/66/790009366.db2.gz PHYKCZWEMWQLEZ-JFDDCEBESA-N 0 3 278.396 1.753 10 10 CDCEHN COC(OC)[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000922312094 790129843 /nfs/dbraw/zinc/12/98/43/790129843.db2.gz RPZYFHZBQIXBPN-SNVBAGLBSA-N 0 3 270.348 1.989 10 10 CDCEHN Cn1nccc1[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000927133026 791391370 /nfs/dbraw/zinc/39/13/70/791391370.db2.gz XSDDEFGAWOMMKY-SMDDNHRTSA-N 0 3 273.336 1.436 10 10 CDCEHN CCC[NH+]1CCC(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000192998167 793807521 /nfs/dbraw/zinc/80/75/21/793807521.db2.gz XFUTYQQSWVDMMZ-UHFFFAOYSA-N 0 3 292.379 1.950 10 10 CDCEHN CO[C@]1(CO)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000826952026 794136059 /nfs/dbraw/zinc/13/60/59/794136059.db2.gz DVSPKXBSXOLHNS-OAHLLOKOSA-N 0 3 295.335 1.094 10 10 CDCEHN C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508401 794522080 /nfs/dbraw/zinc/52/20/80/794522080.db2.gz NEPPUXVKEYDZIL-DOMZBBRYSA-N 0 3 281.352 1.211 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000802310767 794599760 /nfs/dbraw/zinc/59/97/60/794599760.db2.gz VYIXYZHNQVHVBZ-YWVKMMECSA-N 0 3 269.316 1.677 10 10 CDCEHN COc1cc(O)c(CN2CC[C@@]3(O)C[C@H]3C2)cc1OC ZINC000827291424 795105063 /nfs/dbraw/zinc/10/50/63/795105063.db2.gz KSWSHNZDJMIUAJ-XHDPSFHLSA-N 0 3 279.336 1.366 10 10 CDCEHN CC(C)N(C)CC(=O)NCc1c(O)cccc1O ZINC001647270432 1168509576 /nfs/dbraw/zinc/50/95/76/1168509576.db2.gz SAKFJQABMDMTJH-UHFFFAOYSA-N 0 3 252.314 1.054 10 10 CDCEHN CCN(C[C@@H]1CNCCO1)c1ccc(OC)cc1 ZINC000852745728 927857053 /nfs/dbraw/zinc/85/70/53/927857053.db2.gz XXAWEAADXYQDTB-AWEZNQCLSA-N 0 3 250.342 1.510 10 10 CDCEHN C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccccc1[O-] ZINC000825130419 931491637 /nfs/dbraw/zinc/49/16/37/931491637.db2.gz XVUUEMUDINOLRY-DGCLKSJQSA-N 0 3 251.326 1.364 10 10 CDCEHN C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccccc1[O-] ZINC000825130419 931491638 /nfs/dbraw/zinc/49/16/38/931491638.db2.gz XVUUEMUDINOLRY-DGCLKSJQSA-N 0 3 251.326 1.364 10 10 CDCEHN CCOc1ccc(N2CCN(C[C@@H](O)C3CC3)CC2)cc1 ZINC001325012733 953681538 /nfs/dbraw/zinc/68/15/38/953681538.db2.gz IYYGZIFQKSASMS-QGZVFWFLSA-N 0 3 290.407 1.978 10 10 CDCEHN CN(CC(=O)NCc1cc(O)ccc1O)CC(C)(C)C ZINC001455352961 968687317 /nfs/dbraw/zinc/68/73/17/968687317.db2.gz KJYNHIAPDNGFQC-UHFFFAOYSA-N 0 3 280.368 1.692 10 10 CDCEHN C[C@@H](NC(N)=[NH2+])c1cc(Br)ccc1[O-] ZINC000306739788 362389001 /nfs/dbraw/zinc/38/90/01/362389001.db2.gz SLARSRQLRZTMSK-RXMQYKEDSA-N 0 3 258.119 1.699 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCNC2=O)c1[O-] ZINC000295128622 199361078 /nfs/dbraw/zinc/36/10/78/199361078.db2.gz XSJADZVPXMOKGY-NSHDSACASA-N 0 3 268.744 1.722 10 10 CDCEHN [NH3+][C@H](CO)c1ccc(OCc2ccccc2)cc1[O-] ZINC000072199276 356651866 /nfs/dbraw/zinc/65/18/66/356651866.db2.gz ZOIUCSRCGNCALA-CQSZACIVSA-N 0 3 259.305 1.963 10 10 CDCEHN COCCN1CCN(Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000180086230 357242845 /nfs/dbraw/zinc/24/28/45/357242845.db2.gz XCCZWUJTSDRPPM-ZDUSSCGKSA-N 0 3 294.395 1.553 10 10 CDCEHN Cc1cc(O)c(CN2CC[C@H](NS(C)(=O)=O)C2)cc1C ZINC000116870060 359647525 /nfs/dbraw/zinc/64/75/25/359647525.db2.gz ALYQJOOKUDRFMT-ZDUSSCGKSA-N 0 3 298.408 1.133 10 10 CDCEHN COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000282830265 368057633 /nfs/dbraw/zinc/05/76/33/368057633.db2.gz BSAPZXWTWKQXHF-LLVKDONJSA-N 0 3 259.733 1.451 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295200629 371146195 /nfs/dbraw/zinc/14/61/95/371146195.db2.gz YRKMUKRXLOILGY-ZFWWWQNUSA-N 0 3 262.353 1.297 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295200629 371146197 /nfs/dbraw/zinc/14/61/97/371146197.db2.gz YRKMUKRXLOILGY-ZFWWWQNUSA-N 0 3 262.353 1.297 10 10 CDCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccccc1[O-] ZINC000373586340 391124140 /nfs/dbraw/zinc/12/41/40/391124140.db2.gz SDPVNDFGXCSHBG-KBPBESRZSA-N 0 3 293.363 1.935 10 10 CDCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccccc1[O-] ZINC000373586340 391124144 /nfs/dbraw/zinc/12/41/44/391124144.db2.gz SDPVNDFGXCSHBG-KBPBESRZSA-N 0 3 293.363 1.935 10 10 CDCEHN CCCCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 ZINC000040458137 174268370 /nfs/dbraw/zinc/26/83/70/174268370.db2.gz ODJKPOZKYHCSOE-NSHDSACASA-N 0 3 266.341 1.274 10 10 CDCEHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000077900329 260167337 /nfs/dbraw/zinc/16/73/37/260167337.db2.gz TVQXLSWTPKNHBB-CYBMUJFWSA-N 0 3 261.369 1.463 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1C[C@H]3OCCC[C@@H]13)OCO2 ZINC000249453914 329906722 /nfs/dbraw/zinc/90/67/22/329906722.db2.gz CXAIICQMLUOLPD-DMDPSCGWSA-N 0 3 277.320 1.778 10 10 CDCEHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000289393878 522537589 /nfs/dbraw/zinc/53/75/89/522537589.db2.gz FKIMJDQYKNHADL-QMMMGPOBSA-N 0 3 259.733 1.867 10 10 CDCEHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000289393878 522537599 /nfs/dbraw/zinc/53/75/99/522537599.db2.gz FKIMJDQYKNHADL-QMMMGPOBSA-N 0 3 259.733 1.867 10 10 CDCEHN COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000127932086 522785370 /nfs/dbraw/zinc/78/53/70/522785370.db2.gz BFQHONAQNVXLCI-CABCVRRESA-N 0 3 295.379 1.381 10 10 CDCEHN COC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000127932086 522785382 /nfs/dbraw/zinc/78/53/82/522785382.db2.gz BFQHONAQNVXLCI-CABCVRRESA-N 0 3 295.379 1.381 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)C2CC2)c1 ZINC000071299297 524770826 /nfs/dbraw/zinc/77/08/26/524770826.db2.gz BBHFGEAIPUNXDL-XPTSAGLGSA-N 0 3 251.326 1.822 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000084062921 525750629 /nfs/dbraw/zinc/75/06/29/525750629.db2.gz ZDJNNORLXQACJA-NEPJUHHUSA-N 0 3 262.353 1.972 10 10 CDCEHN [O-]c1ccccc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090132 526374767 /nfs/dbraw/zinc/37/47/67/526374767.db2.gz ZLRSXDJXNQYBCK-CQSZACIVSA-N 0 3 284.363 1.941 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2c(O)cccc2OC)CC1 ZINC000769503477 575353768 /nfs/dbraw/zinc/35/37/68/575353768.db2.gz ZPCHSVOTJRVCEU-CYBMUJFWSA-N 0 3 294.395 1.289 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)c2c1c(F)ccc2[O-] ZINC000756507082 576992763 /nfs/dbraw/zinc/99/27/63/576992763.db2.gz AJHAMBOVBVFIBX-DVVUODLYSA-N 0 3 278.327 1.948 10 10 CDCEHN CN(Cc1ccc(N2CCCC2)cc1)c1nc(N)nc(N)n1 ZINC001611764319 1165505882 /nfs/dbraw/zinc/50/58/82/1165505882.db2.gz AFXGASARKRWKCD-UHFFFAOYSA-N 0 3 299.382 1.273 10 10 CDCEHN Cc1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000872261806 1165404931 /nfs/dbraw/zinc/40/49/31/1165404931.db2.gz YPBWRRXQHSNPBV-HNNXBMFYSA-N 0 3 292.335 1.011 10 10 CDCEHN COc1ccc(O)c([C@H](C)NC(=O)C(N)C(F)(F)F)c1 ZINC000828667514 796724622 /nfs/dbraw/zinc/72/46/22/796724622.db2.gz RQXUJXINEFHQCR-WKEGUHRASA-N 0 3 292.257 1.468 10 10 CDCEHN COC[C@@H]1CCN1Cc1cc(OC)c(C)cc1O ZINC000840082916 796865062 /nfs/dbraw/zinc/86/50/62/796865062.db2.gz IUFXECCGTZWRMV-LBPRGKRZSA-N 0 3 251.326 1.930 10 10 CDCEHN [NH3+]C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000926171258 796901861 /nfs/dbraw/zinc/90/18/61/796901861.db2.gz WQLSPBAUXVXFAO-SECBINFHSA-N 0 3 295.236 1.220 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@@H]2COC[C@H]2O)cc1 ZINC000842212084 797319760 /nfs/dbraw/zinc/31/97/60/797319760.db2.gz KYQRMOCHWPZGGE-LPUOJRKPSA-N 0 3 262.353 1.115 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000850365742 797362978 /nfs/dbraw/zinc/36/29/78/797362978.db2.gz NIBITVNRHFNUAI-GFCCVEGCSA-N 0 3 273.279 1.915 10 10 CDCEHN COc1ccc(N2CCN(CCC(OC)OC)CC2)cc1 ZINC000851713456 797836473 /nfs/dbraw/zinc/83/64/73/797836473.db2.gz DQGZUKHLDKVBRH-UHFFFAOYSA-N 0 3 294.395 1.826 10 10 CDCEHN C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000714246715 909716726 /nfs/dbraw/zinc/71/67/26/909716726.db2.gz BQOCZORHGOCCGS-FBIMIBRVSA-N 0 3 287.356 1.758 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000226586233 911696769 /nfs/dbraw/zinc/69/67/69/911696769.db2.gz JXSCPZNAPMPEFX-VIFPVBQESA-N 0 3 253.195 1.544 10 10 CDCEHN CCOc1cccc(C[N@H+](C)CC2CN(C)C2)c1[O-] ZINC000827126335 936491969 /nfs/dbraw/zinc/49/19/69/936491969.db2.gz ZZSRUKBQIUOXGC-UHFFFAOYSA-N 0 3 264.369 1.784 10 10 CDCEHN CCOc1cccc(C[N@@H+](C)CC2CN(C)C2)c1[O-] ZINC000827126335 936491970 /nfs/dbraw/zinc/49/19/70/936491970.db2.gz ZZSRUKBQIUOXGC-UHFFFAOYSA-N 0 3 264.369 1.784 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@@H](C)NCC23CC(C2)C[NH2+]3)c1 ZINC000854226996 928173580 /nfs/dbraw/zinc/17/35/80/928173580.db2.gz KGCKUCOYHXQZET-VHTNMKBUSA-N 0 3 290.363 1.581 10 10 CDCEHN C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cccc(F)c1[O-])C2 ZINC000863653024 929584234 /nfs/dbraw/zinc/58/42/34/929584234.db2.gz YDJUVSHJXLDKRE-GASCZTMLSA-N 0 3 264.344 1.963 10 10 CDCEHN C[C@H]1CN(CCO)CCN1Cc1cc(F)ccc1O ZINC000825338601 931501424 /nfs/dbraw/zinc/50/14/24/931501424.db2.gz QWIHAPYKJZUDJI-NSHDSACASA-N 0 3 268.332 1.030 10 10 CDCEHN CCOc1ccc(CN2CCN(CCO)C[C@@H]2C)c(O)c1 ZINC000825338685 931501473 /nfs/dbraw/zinc/50/14/73/931501473.db2.gz UCOCHUIVVNPKPV-ZDUSSCGKSA-N 0 3 294.395 1.289 10 10 CDCEHN C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000404193666 940957211 /nfs/dbraw/zinc/95/72/11/940957211.db2.gz LWZIDMOOIZQEMG-HZMBPMFUSA-N 0 3 269.316 1.723 10 10 CDCEHN CCc1cccc(CN2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000848887074 969337220 /nfs/dbraw/zinc/33/72/20/969337220.db2.gz NDESGYJYSNBWLL-ZDUSSCGKSA-N 0 3 298.408 1.208 10 10 CDCEHN CC[C@@H](O)CN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000123590482 360299765 /nfs/dbraw/zinc/29/97/65/360299765.db2.gz CTCJQRLIXTUFOB-OAHLLOKOSA-N 0 3 278.396 1.589 10 10 CDCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)OC)C2)c1 ZINC000271095087 364919500 /nfs/dbraw/zinc/91/95/00/364919500.db2.gz MFQJWCGVFNBZKN-NSHDSACASA-N 0 3 279.336 1.786 10 10 CDCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)OC)C2)c1 ZINC000271095087 364919508 /nfs/dbraw/zinc/91/95/08/364919508.db2.gz MFQJWCGVFNBZKN-NSHDSACASA-N 0 3 279.336 1.786 10 10 CDCEHN CCOc1ccc(O)c(CN2CC[C@H](C(=O)OC)C2)c1 ZINC000271095087 364919512 /nfs/dbraw/zinc/91/95/12/364919512.db2.gz MFQJWCGVFNBZKN-NSHDSACASA-N 0 3 279.336 1.786 10 10 CDCEHN COCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000281283527 367616831 /nfs/dbraw/zinc/61/68/31/367616831.db2.gz OMSDKHPUFMWPCX-GFCCVEGCSA-N 0 3 273.760 1.841 10 10 CDCEHN CN(C(=O)c1cn[n-]c1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000662498734 413068892 /nfs/dbraw/zinc/06/88/92/413068892.db2.gz LYUVEQGVSXFSKE-JTQLQIEISA-N 0 3 288.326 1.902 10 10 CDCEHN CS(=O)(=O)CCCNCc1ccc(N2CCCC2)cc1 ZINC000038047630 174058092 /nfs/dbraw/zinc/05/80/92/174058092.db2.gz XGEJDNQENBCBKN-UHFFFAOYSA-N 0 3 296.436 1.811 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H]1CCC[C@@H]1O ZINC000091899865 327187159 /nfs/dbraw/zinc/18/71/59/327187159.db2.gz OQGCQXSAMSMQFE-PWSUYJOCSA-N 0 3 279.336 1.714 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C[C@H]1CCC[C@@H]1O ZINC000091899865 327187160 /nfs/dbraw/zinc/18/71/60/327187160.db2.gz OQGCQXSAMSMQFE-PWSUYJOCSA-N 0 3 279.336 1.714 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091524329 334379608 /nfs/dbraw/zinc/37/96/08/334379608.db2.gz HIGWFMFFYNCVDC-KPPDAEKUSA-N 0 3 251.326 1.822 10 10 CDCEHN COC[C@@](C)(CCO)NCc1ccc(N(C)C)c(C)c1 ZINC000292750336 522526408 /nfs/dbraw/zinc/52/64/08/522526408.db2.gz IAAINCFQTRJLPQ-MRXNPFEDSA-N 0 3 280.412 1.938 10 10 CDCEHN C[N@@H+]1CC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708519 620505890 /nfs/dbraw/zinc/50/58/90/620505890.db2.gz NKUMBAISUCABTH-SECBINFHSA-N 0 3 252.289 1.099 10 10 CDCEHN C[N@H+]1CC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708519 620505895 /nfs/dbraw/zinc/50/58/95/620505895.db2.gz NKUMBAISUCABTH-SECBINFHSA-N 0 3 252.289 1.099 10 10 CDCEHN CN(C)c1ccc(CNC2COCCOC2)cc1F ZINC000813788966 1163968462 /nfs/dbraw/zinc/96/84/62/1163968462.db2.gz DUZGCYNYNXIMFX-UHFFFAOYSA-N 0 3 268.332 1.397 10 10 CDCEHN COc1cccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1[O-] ZINC000827151693 813334204 /nfs/dbraw/zinc/33/42/04/813334204.db2.gz IGCZZLFIIYJPDF-QWRGUYRKSA-N 0 3 265.353 1.850 10 10 CDCEHN CC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844016 811116480 /nfs/dbraw/zinc/11/64/80/811116480.db2.gz MXJXDKFDSSEZAC-SMDDNHRTSA-N 0 3 277.368 1.127 10 10 CDCEHN c1n[nH]cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000038006047 811835151 /nfs/dbraw/zinc/83/51/51/811835151.db2.gz OVLXHPDHZAIOKX-UHFFFAOYSA-N 0 3 272.352 1.536 10 10 CDCEHN CCOc1ccc(C[NH2+]CCc2cn(C)cn2)c([O-])c1 ZINC000839150327 812876701 /nfs/dbraw/zinc/87/67/01/812876701.db2.gz WPJAPZDPBNIGIF-UHFFFAOYSA-N 0 3 275.352 1.857 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c([O-])c1 ZINC000700209745 813629153 /nfs/dbraw/zinc/62/91/53/813629153.db2.gz LTMPMPULBBUVOB-OLZOCXBDSA-N 0 3 264.369 1.682 10 10 CDCEHN CC[S@@](=O)CCNCc1ccc2c(c1)CCO2 ZINC000134640224 814590886 /nfs/dbraw/zinc/59/08/86/814590886.db2.gz XNGXUNCTKXZUAD-KRWDZBQOSA-N 0 3 253.367 1.480 10 10 CDCEHN Cc1cc([O-])c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000843056025 814633890 /nfs/dbraw/zinc/63/38/90/814633890.db2.gz CIVMDZPBWOZKSW-YGRLFVJLSA-N 0 3 284.787 1.902 10 10 CDCEHN CC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844015 814713402 /nfs/dbraw/zinc/71/34/02/814713402.db2.gz MXJXDKFDSSEZAC-RISCZKNCSA-N 0 3 277.368 1.127 10 10 CDCEHN COc1ccc(N2CC[C@@H](NCc3cnnn3C)C2)cc1 ZINC000850346607 816834951 /nfs/dbraw/zinc/83/49/51/816834951.db2.gz HTSNZMLZUXWKCB-GFCCVEGCSA-N 0 3 287.367 1.192 10 10 CDCEHN CCC[C@@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000036872831 817543130 /nfs/dbraw/zinc/54/31/30/817543130.db2.gz NXTXKKHTZAUNRF-OAHLLOKOSA-N 0 3 291.395 1.471 10 10 CDCEHN Cc1cc([O-])c(CNC[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000841085607 817871923 /nfs/dbraw/zinc/87/19/23/817871923.db2.gz IMOIOVMOHKCPDC-LLVKDONJSA-N 0 3 284.787 1.822 10 10 CDCEHN COc1ccc(O)c([C@H](C)NC(=O)Cc2nc[nH]c2C)c1 ZINC001545683829 926753789 /nfs/dbraw/zinc/75/37/89/926753789.db2.gz BNKOCWYHGYWXAD-VIFPVBQESA-N 0 3 289.335 1.852 10 10 CDCEHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655055 931475028 /nfs/dbraw/zinc/47/50/28/931475028.db2.gz SZFFIISYITWQJL-RBSFLKMASA-N 0 3 277.364 1.754 10 10 CDCEHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655055 931475030 /nfs/dbraw/zinc/47/50/30/931475030.db2.gz SZFFIISYITWQJL-RBSFLKMASA-N 0 3 277.364 1.754 10 10 CDCEHN COc1cc([O-])c(C[NH2+]CCc2cnn(C)c2)cc1OC ZINC000272095885 365081673 /nfs/dbraw/zinc/08/16/73/365081673.db2.gz NZBFXSRCDRMTRX-UHFFFAOYSA-N 0 3 291.351 1.475 10 10 CDCEHN Cc1ccc2c(c1)N(C(=O)c1cn[n-]c1[C@@H]1CC[NH2+]C1)CC2 ZINC000662424424 413000956 /nfs/dbraw/zinc/00/09/56/413000956.db2.gz RQXKGSJUXSUTBW-CYBMUJFWSA-N 0 3 296.374 1.998 10 10 CDCEHN CCC[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C ZINC000182510291 391235903 /nfs/dbraw/zinc/23/59/03/391235903.db2.gz FVFMMTVUMSLDPS-NSHDSACASA-N 0 3 266.341 1.444 10 10 CDCEHN C[C@H]([NH2+]CCN1CCCC1)c1cc(O)ccc1[O-] ZINC000020126887 171011536 /nfs/dbraw/zinc/01/15/36/171011536.db2.gz GPMMIIPHIJDYGT-NSHDSACASA-N 0 3 250.342 1.844 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(O)ccc1[O-] ZINC000038082775 174091800 /nfs/dbraw/zinc/09/18/00/174091800.db2.gz FESOCGCQJHRXNQ-VHSXEESVSA-N 0 3 285.365 1.183 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091666740 330401942 /nfs/dbraw/zinc/40/19/42/330401942.db2.gz ZTFMMQODFNDFOR-VXGBXAGGSA-N 0 3 250.342 1.373 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CC[C@H](O)CC1 ZINC000276067308 523184702 /nfs/dbraw/zinc/18/47/02/523184702.db2.gz TTXKDWZMUOTGBJ-HAQNSBGRSA-N 0 3 279.336 1.856 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CC[C@H](O)CC1 ZINC000276067308 523184705 /nfs/dbraw/zinc/18/47/05/523184705.db2.gz TTXKDWZMUOTGBJ-HAQNSBGRSA-N 0 3 279.336 1.856 10 10 CDCEHN COCCNCc1ccc(N(C)[C@H](C)COC)cc1 ZINC000062737354 523952119 /nfs/dbraw/zinc/95/21/19/523952119.db2.gz UZSJAODIQASCIW-CYBMUJFWSA-N 0 3 266.385 1.894 10 10 CDCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279457181 524748116 /nfs/dbraw/zinc/74/81/16/524748116.db2.gz QPRMIMYWBNZSFS-HNNXBMFYSA-N 0 3 276.336 1.113 10 10 CDCEHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279457181 524748123 /nfs/dbraw/zinc/74/81/23/524748123.db2.gz QPRMIMYWBNZSFS-HNNXBMFYSA-N 0 3 276.336 1.113 10 10 CDCEHN C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866523207 818275685 /nfs/dbraw/zinc/27/56/85/818275685.db2.gz COQBVMYVTGTLHZ-NHYWBVRUSA-N 0 3 292.335 1.264 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000850388955 818455667 /nfs/dbraw/zinc/45/56/67/818455667.db2.gz QBNKYELFRSQPCQ-NSHDSACASA-N 0 3 264.325 1.159 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000827595905 818631149 /nfs/dbraw/zinc/63/11/49/818631149.db2.gz SQCPGXAIGBBTIK-NWDGAFQWSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000827595905 818631153 /nfs/dbraw/zinc/63/11/53/818631153.db2.gz SQCPGXAIGBBTIK-NWDGAFQWSA-N 0 3 263.337 1.869 10 10 CDCEHN Cc1cc(CN2CCN(CCO)[C@H](C)C2)ccc1N(C)C ZINC000815096217 819014240 /nfs/dbraw/zinc/01/42/40/819014240.db2.gz KUIRVMDJMFBLLO-OAHLLOKOSA-N 0 3 291.439 1.559 10 10 CDCEHN C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000858494825 819102774 /nfs/dbraw/zinc/10/27/74/819102774.db2.gz ONBLXHMTYRUYBT-FTYOSLGDSA-N 0 3 278.327 1.933 10 10 CDCEHN CN1CCC(O)(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703328178 819836953 /nfs/dbraw/zinc/83/69/53/819836953.db2.gz LVLQLMBHKLDPSC-UHFFFAOYSA-N 0 3 286.322 1.217 10 10 CDCEHN Cc1cc(O)c(CN2CCN(CCO)[C@@H](C)C2)cc1Cl ZINC000825567661 819855533 /nfs/dbraw/zinc/85/55/33/819855533.db2.gz LTXIMPRDKCZNTF-LBPRGKRZSA-N 0 3 298.814 1.852 10 10 CDCEHN COc1cc(CN[C@H]2CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000850342570 819919620 /nfs/dbraw/zinc/91/96/20/819919620.db2.gz HPFHEZLYKHKJOV-ZDUSSCGKSA-N 0 3 292.379 1.676 10 10 CDCEHN C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977209 820820923 /nfs/dbraw/zinc/82/09/23/820820923.db2.gz DTPNWFCXCSWFDK-HLTSFMKQSA-N 0 3 253.302 1.687 10 10 CDCEHN COC(OC)[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000079608272 820834651 /nfs/dbraw/zinc/83/46/51/820834651.db2.gz BKZBPDMYBQETGN-ZDUSSCGKSA-N 0 3 294.395 1.620 10 10 CDCEHN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(F)ccc2[O-])n1 ZINC000862544434 821056442 /nfs/dbraw/zinc/05/64/42/821056442.db2.gz YSFKJXLDGGETCL-WCQYABFASA-N 0 3 293.298 1.843 10 10 CDCEHN COC[C@]1(C)CN(Cc2cc(C)ccc2O)CCO1 ZINC000862551632 821265170 /nfs/dbraw/zinc/26/51/70/821265170.db2.gz PBGOBCCWMQFCTO-HNNXBMFYSA-N 0 3 265.353 1.938 10 10 CDCEHN CN1CCC(NC(=S)N2Cc3cccc(O)c3C2)CC1 ZINC000865258968 821321755 /nfs/dbraw/zinc/32/17/55/821321755.db2.gz UONGTYOFNHMTEJ-UHFFFAOYSA-N 0 3 291.420 1.677 10 10 CDCEHN Cc1cc([O-])c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000843056024 821430228 /nfs/dbraw/zinc/43/02/28/821430228.db2.gz CIVMDZPBWOZKSW-QMTHXVAHSA-N 0 3 284.787 1.902 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@@H]3C1)[C@H](O)CO2 ZINC000853588220 822085001 /nfs/dbraw/zinc/08/50/01/822085001.db2.gz DABCSUUEKTVMBO-IFUGULHKSA-N 0 3 291.347 1.286 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@@H]3C1)[C@H](O)CO2 ZINC000853588220 822085013 /nfs/dbraw/zinc/08/50/13/822085013.db2.gz DABCSUUEKTVMBO-IFUGULHKSA-N 0 3 291.347 1.286 10 10 CDCEHN O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000824455185 822382356 /nfs/dbraw/zinc/38/23/56/822382356.db2.gz QSFPJIDJOVYHLI-NSHDSACASA-N 0 3 294.326 1.805 10 10 CDCEHN O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000824455185 822382363 /nfs/dbraw/zinc/38/23/63/822382363.db2.gz QSFPJIDJOVYHLI-NSHDSACASA-N 0 3 294.326 1.805 10 10 CDCEHN C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000183564150 917458306 /nfs/dbraw/zinc/45/83/06/917458306.db2.gz SRKMSWFBHRVSSL-WFASDCNBSA-N 0 3 265.353 1.832 10 10 CDCEHN CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])C(=O)NC ZINC000697858690 937287637 /nfs/dbraw/zinc/28/76/37/937287637.db2.gz MREGWDACKRPFAE-ZYHUDNBSSA-N 0 3 250.342 1.876 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929974899 933290759 /nfs/dbraw/zinc/29/07/59/933290759.db2.gz CAENOJFEBPKULY-VNHYZAJKSA-N 0 3 263.337 1.628 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929974899 933290763 /nfs/dbraw/zinc/29/07/63/933290763.db2.gz CAENOJFEBPKULY-VNHYZAJKSA-N 0 3 263.337 1.628 10 10 CDCEHN CON1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000931553999 933586396 /nfs/dbraw/zinc/58/63/96/933586396.db2.gz JRVKOAMAXQWLOW-MWLCHTKSSA-N 0 3 250.298 1.205 10 10 CDCEHN CC(C)(C(=O)NCc1cccc(O)c1O)N1CCCCC1 ZINC001349078783 966264911 /nfs/dbraw/zinc/26/49/11/966264911.db2.gz JNVAVYLFHRDYSR-UHFFFAOYSA-N 0 3 292.379 1.979 10 10 CDCEHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000180248773 357254731 /nfs/dbraw/zinc/25/47/31/357254731.db2.gz DOFBJOJBXPEBRK-DOMZBBRYSA-N 0 3 294.370 1.684 10 10 CDCEHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1N1CCOCC1 ZINC000180248773 357254734 /nfs/dbraw/zinc/25/47/34/357254734.db2.gz DOFBJOJBXPEBRK-DOMZBBRYSA-N 0 3 294.370 1.684 10 10 CDCEHN CN(C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272258079 365158015 /nfs/dbraw/zinc/15/80/15/365158015.db2.gz JPRPAYOZRQWGMR-NSHDSACASA-N 0 3 252.333 1.915 10 10 CDCEHN CN(C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272258079 365158019 /nfs/dbraw/zinc/15/80/19/365158019.db2.gz JPRPAYOZRQWGMR-NSHDSACASA-N 0 3 252.333 1.915 10 10 CDCEHN C[NH+](C)C[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272258079 365158027 /nfs/dbraw/zinc/15/80/27/365158027.db2.gz JPRPAYOZRQWGMR-NSHDSACASA-N 0 3 252.333 1.915 10 10 CDCEHN C/C=C(/C)C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000131401831 375254639 /nfs/dbraw/zinc/25/46/39/375254639.db2.gz VZGCALIRECEYFU-BASWHVEKSA-N 0 3 291.370 1.818 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2ccccc2O)CC1 ZINC000179581415 391212780 /nfs/dbraw/zinc/21/27/80/391212780.db2.gz XYVOEECYDYAXHM-CQSZACIVSA-N 0 3 264.369 1.281 10 10 CDCEHN C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000237541387 391678001 /nfs/dbraw/zinc/67/80/01/391678001.db2.gz LULRUWJZSNBBNP-AAEUAGOBSA-N 0 3 291.370 1.508 10 10 CDCEHN CCN(CC)c1ccc(CNCCNC(C)=O)cc1 ZINC000020185068 171048082 /nfs/dbraw/zinc/04/80/82/171048082.db2.gz VPYPKXPOEHGUJR-UHFFFAOYSA-N 0 3 263.385 1.759 10 10 CDCEHN C[C@@H](N[C@@H](C)c1cc(O)ccc1O)C(=O)N(C)C ZINC000036794213 172714186 /nfs/dbraw/zinc/71/41/86/172714186.db2.gz SXVYCTLUQZRKDA-DTWKUNHWSA-N 0 3 252.314 1.225 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000091666938 260266394 /nfs/dbraw/zinc/26/63/94/260266394.db2.gz UIVKBEVZJSXUTF-QWHCGFSZSA-N 0 3 264.369 1.682 10 10 CDCEHN COc1cccc(CNCC2(C)OCCCO2)c1O ZINC000192249540 262200324 /nfs/dbraw/zinc/20/03/24/262200324.db2.gz SDXHYLJUYLVYNJ-UHFFFAOYSA-N 0 3 267.325 1.644 10 10 CDCEHN CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126271957 327147835 /nfs/dbraw/zinc/14/78/35/327147835.db2.gz VUHDIRQOSDLEPY-JTQLQIEISA-N 0 3 264.325 1.169 10 10 CDCEHN CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126271957 327147836 /nfs/dbraw/zinc/14/78/36/327147836.db2.gz VUHDIRQOSDLEPY-JTQLQIEISA-N 0 3 264.325 1.169 10 10 CDCEHN COC(=O)[C@@H]1CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000768444253 576283676 /nfs/dbraw/zinc/28/36/76/576283676.db2.gz WGHHOTBLFPCWND-LLVKDONJSA-N 0 3 279.336 1.704 10 10 CDCEHN O=C1NCCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000050395151 1166656713 /nfs/dbraw/zinc/65/67/13/1166656713.db2.gz HWYKYFJSOUPQJM-HNNXBMFYSA-N 0 3 273.380 1.655 10 10 CDCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCNC2=O)c1[O-] ZINC000850481099 828371469 /nfs/dbraw/zinc/37/14/69/828371469.db2.gz HXTKJVUVQIGRMW-KCJUWKMLSA-N 0 3 268.744 1.893 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]C1CN(c3ccncn3)C1)CC2 ZINC000866495986 824212645 /nfs/dbraw/zinc/21/26/45/824212645.db2.gz KZEODCULGNPCFF-ZDUSSCGKSA-N 0 3 282.347 1.648 10 10 CDCEHN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723601280 824673712 /nfs/dbraw/zinc/67/37/12/824673712.db2.gz NVNYURSBYTTZHG-DGCLKSJQSA-N 0 3 262.353 1.911 10 10 CDCEHN COc1cc(Cl)cc(CN2CCOC3(CNC3)C2)c1O ZINC000853249144 824724540 /nfs/dbraw/zinc/72/45/40/824724540.db2.gz NPRUWUOSPXCKHF-UHFFFAOYSA-N 0 3 298.770 1.228 10 10 CDCEHN CNC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000785589433 828702755 /nfs/dbraw/zinc/70/27/55/828702755.db2.gz PCPCAIHWZZXPHL-AWEZNQCLSA-N 0 3 281.375 1.752 10 10 CDCEHN COC(=O)[C@H]1CSCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840979210 824889005 /nfs/dbraw/zinc/88/90/05/824889005.db2.gz ZKXOKWJUPWTEDQ-LLVKDONJSA-N 0 3 299.367 1.869 10 10 CDCEHN COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840979210 824889008 /nfs/dbraw/zinc/88/90/08/824889008.db2.gz ZKXOKWJUPWTEDQ-LLVKDONJSA-N 0 3 299.367 1.869 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000723536026 825427515 /nfs/dbraw/zinc/42/75/15/825427515.db2.gz JJJWXMLOFQGTCH-NEPJUHHUSA-N 0 3 262.353 1.830 10 10 CDCEHN CCN1CCO[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000313232298 825524775 /nfs/dbraw/zinc/52/47/75/825524775.db2.gz SUCOXVJCGKAGMB-UONOGXRCSA-N 0 3 276.380 1.690 10 10 CDCEHN CC[C@H](C(=O)NCc1c(O)cccc1F)N(C)C ZINC000928705300 825982187 /nfs/dbraw/zinc/98/21/87/825982187.db2.gz JBUFGDCCSAEGCF-LLVKDONJSA-N 0 3 254.305 1.488 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@@H](C)O)CC1 ZINC000840913870 827963625 /nfs/dbraw/zinc/96/36/25/827963625.db2.gz KFPWBJRPYBFDJU-OAHLLOKOSA-N 0 3 291.439 1.559 10 10 CDCEHN COc1cccc(CN2CCNC(=O)CC2(C)C)c1O ZINC001119516478 937727154 /nfs/dbraw/zinc/72/71/54/937727154.db2.gz YPECYWSFDJXHLT-UHFFFAOYSA-N 0 3 278.352 1.501 10 10 CDCEHN CN1CCCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001558689103 965338752 /nfs/dbraw/zinc/33/87/52/965338752.db2.gz JQMVVLSYAPVLSV-LBPRGKRZSA-N 0 3 278.352 1.241 10 10 CDCEHN CCc1cccc(CN2CCO[C@]3(CCOC3)C2)c1O ZINC000848903402 969344810 /nfs/dbraw/zinc/34/48/10/969344810.db2.gz RWUYJHUICXIPAC-MRXNPFEDSA-N 0 3 277.364 1.946 10 10 CDCEHN COc1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1C ZINC000077900603 356958353 /nfs/dbraw/zinc/95/83/53/356958353.db2.gz VFJGGALCMIEJDD-CYBMUJFWSA-N 0 3 262.353 1.714 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000294820284 199199060 /nfs/dbraw/zinc/19/90/60/199199060.db2.gz KKBXIENXNLICBW-UHFFFAOYSA-N 0 3 298.814 1.900 10 10 CDCEHN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-] ZINC000575409166 364759041 /nfs/dbraw/zinc/75/90/41/364759041.db2.gz DTLXDHOZAZLOTA-WPRPVWTQSA-O 0 3 256.326 1.805 10 10 CDCEHN COc1cccc(O)c1CN1CCSC[C@H]1CCO ZINC000770305701 575437670 /nfs/dbraw/zinc/43/76/70/575437670.db2.gz IWZAOVZMBCSNEW-LLVKDONJSA-N 0 3 283.393 1.701 10 10 CDCEHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])CCN1C1CCOCC1 ZINC000747624780 576877465 /nfs/dbraw/zinc/87/74/65/576877465.db2.gz VYLCGWXSHVSTAH-CQSZACIVSA-N 0 3 290.363 1.262 10 10 CDCEHN C[C@H]1C[C@@H]([NH2+]CCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000756674629 576999709 /nfs/dbraw/zinc/99/97/09/576999709.db2.gz ABVQRTXZMNMJPO-WCBMZHEXSA-N 0 3 291.330 1.435 10 10 CDCEHN COc1ccc(CNC2(CNC(C)=O)CC2)cc1C ZINC001723481628 1181573689 /nfs/dbraw/zinc/57/36/89/1181573689.db2.gz DXSYTLOIJWSVKG-UHFFFAOYSA-N 0 3 262.353 1.762 10 10 CDCEHN COc1ccc(O)c(CNC(=O)CN2CC[C@H](C)C2)c1 ZINC000847590914 833022258 /nfs/dbraw/zinc/02/22/58/833022258.db2.gz KIRGVWKPJMMDMR-NSHDSACASA-N 0 3 278.352 1.359 10 10 CDCEHN CCOc1ccc(C[NH2+]C[C@@H]2COCCN2C)c([O-])c1 ZINC000858276820 828842913 /nfs/dbraw/zinc/84/29/13/828842913.db2.gz ZEZFMSGMPCYPDO-CYBMUJFWSA-N 0 3 280.368 1.211 10 10 CDCEHN [O-]c1cccnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793257853 833364088 /nfs/dbraw/zinc/36/40/88/833364088.db2.gz VUXGDFKPQCZEPZ-UHFFFAOYSA-N 0 3 299.374 1.914 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(CCO)CCOC1)CC2 ZINC000834625168 829841127 /nfs/dbraw/zinc/84/11/27/829841127.db2.gz UYKSOATZFMRBNS-CJNGLKHVSA-N 0 3 277.364 1.758 10 10 CDCEHN CO[C@@H]1COC[C@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000842749614 833568283 /nfs/dbraw/zinc/56/82/83/833568283.db2.gz DODNZLIZXUGDDC-FZZYSBJUSA-N 0 3 276.380 1.769 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1(S(C)(=O)=O)CC1 ZINC000834799159 830061796 /nfs/dbraw/zinc/06/17/96/830061796.db2.gz WVTSEYKIVRRESZ-PWSUYJOCSA-N 0 3 295.404 1.935 10 10 CDCEHN NC(=O)COc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134229968 830764251 /nfs/dbraw/zinc/76/42/51/830764251.db2.gz HDNGVJGGICWOCN-UHFFFAOYSA-N 0 3 286.331 1.546 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000826952718 832517765 /nfs/dbraw/zinc/51/77/65/832517765.db2.gz QSBVIEOHJNFWRB-OAHLLOKOSA-N 0 3 281.352 1.374 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000826952718 832517774 /nfs/dbraw/zinc/51/77/74/832517774.db2.gz QSBVIEOHJNFWRB-OAHLLOKOSA-N 0 3 281.352 1.374 10 10 CDCEHN C[NH+](C)CC1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928706269 832780854 /nfs/dbraw/zinc/78/08/54/832780854.db2.gz QFJBKVKCZAVTBW-UHFFFAOYSA-N 0 3 266.316 1.489 10 10 CDCEHN CCON(C)C(=O)CNCc1cccc(C)c1O ZINC000846063774 832857179 /nfs/dbraw/zinc/85/71/79/832857179.db2.gz HWFYDFZMAQVFDH-UHFFFAOYSA-N 0 3 252.314 1.200 10 10 CDCEHN Cc1cc(CN2CCN(CCO)C[C@@H]2C)ccc1N(C)C ZINC000832783220 832886016 /nfs/dbraw/zinc/88/60/16/832886016.db2.gz PFGUIWNBVUDFPE-HNNXBMFYSA-N 0 3 291.439 1.559 10 10 CDCEHN CN(C)c1ccc(CN[C@@H]2CCN(C3CCC3)C2=O)cc1 ZINC000858340897 833844922 /nfs/dbraw/zinc/84/49/22/833844922.db2.gz RIXGKBYMCWRPNR-MRXNPFEDSA-N 0 3 287.407 1.996 10 10 CDCEHN CN1CCO[C@@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000709415238 834831873 /nfs/dbraw/zinc/83/18/73/834831873.db2.gz JYXUZEYMYODLMJ-CYBMUJFWSA-N 0 3 250.342 1.155 10 10 CDCEHN CN1CCO[C@@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000709415238 834831875 /nfs/dbraw/zinc/83/18/75/834831875.db2.gz JYXUZEYMYODLMJ-CYBMUJFWSA-N 0 3 250.342 1.155 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@]1(O)CCOC1)CC2 ZINC000404214930 940957728 /nfs/dbraw/zinc/95/77/28/940957728.db2.gz SPWHUKXSRFMXJH-WFASDCNBSA-N 0 3 263.337 1.511 10 10 CDCEHN C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000123218263 360270500 /nfs/dbraw/zinc/27/05/00/360270500.db2.gz UHPHWGMFAWDZJY-DTWKUNHWSA-N 0 3 253.298 1.227 10 10 CDCEHN CCc1nc2n(n1)C[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069621203 378419336 /nfs/dbraw/zinc/41/93/36/378419336.db2.gz JFBGOXQIYKDUJL-AWEZNQCLSA-N 0 3 298.390 1.880 10 10 CDCEHN COCCOCCC[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000020192240 171058308 /nfs/dbraw/zinc/05/83/08/171058308.db2.gz HMQXVGQDZOPECF-LLVKDONJSA-N 0 3 269.341 1.802 10 10 CDCEHN COc1ccc([C@H](C)[NH2+]CCOCCO)c([O-])c1 ZINC000020199276 171063050 /nfs/dbraw/zinc/06/30/50/171063050.db2.gz MERNWQLEIAYBJR-JTQLQIEISA-N 0 3 255.314 1.060 10 10 CDCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000091666939 260266508 /nfs/dbraw/zinc/26/65/08/260266508.db2.gz UIVKBEVZJSXUTF-OLZOCXBDSA-N 0 3 264.369 1.682 10 10 CDCEHN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000283811610 263084333 /nfs/dbraw/zinc/08/43/33/263084333.db2.gz BPFWDZWDOZMNAU-TZMCWYRMSA-N 0 3 267.369 1.640 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1OC ZINC000277340103 328221097 /nfs/dbraw/zinc/22/10/97/328221097.db2.gz DDNNOYJMIHGMPJ-CMPLNLGQSA-N 0 3 281.352 1.924 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc3c(c2)CCO3)CC1=O ZINC000377837150 329031491 /nfs/dbraw/zinc/03/14/91/329031491.db2.gz JODOQFIUUAXIGV-DFBGVHRSSA-N 0 3 286.375 1.720 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@H]1C1CC1)OCO2 ZINC000230316777 333316563 /nfs/dbraw/zinc/31/65/63/333316563.db2.gz ZOIPNOODOACLRN-NHYWBVRUSA-N 0 3 277.320 1.778 10 10 CDCEHN [O-]c1ccccc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090133 526373804 /nfs/dbraw/zinc/37/38/04/526373804.db2.gz ZLRSXDJXNQYBCK-AWEZNQCLSA-N 0 3 284.363 1.941 10 10 CDCEHN CCOc1ccc(C[NH2+]C2CCC(C(N)=O)CC2)c([O-])c1 ZINC000727645232 574592754 /nfs/dbraw/zinc/59/27/54/574592754.db2.gz DJSALGQISACISF-UHFFFAOYSA-N 0 3 292.379 1.925 10 10 CDCEHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CNCCO2)c(Cl)c1 ZINC000841101370 618683270 /nfs/dbraw/zinc/68/32/70/618683270.db2.gz VIKDWENITIRYGP-JTQLQIEISA-N 0 3 270.760 1.432 10 10 CDCEHN COc1ccc(O)c(CN2CCNC(=O)CC23CCC3)c1 ZINC000895927683 619906102 /nfs/dbraw/zinc/90/61/02/619906102.db2.gz VTJHNVSBZRXOTQ-UHFFFAOYSA-N 0 3 290.363 1.645 10 10 CDCEHN C[C@@H]1COCCN1CC[N@H+](C)Cc1ccccc1[O-] ZINC000191571897 1184535516 /nfs/dbraw/zinc/53/55/16/1184535516.db2.gz HYFVRJJWKFRAJS-CYBMUJFWSA-N 0 3 264.369 1.545 10 10 CDCEHN C[C@@H]1COCCN1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000191571897 1184535520 /nfs/dbraw/zinc/53/55/20/1184535520.db2.gz HYFVRJJWKFRAJS-CYBMUJFWSA-N 0 3 264.369 1.545 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)c([O-])c1 ZINC000706722695 836050797 /nfs/dbraw/zinc/05/07/97/836050797.db2.gz NRTIWJWFVSFVEO-VHRBIJSZSA-N 0 3 251.326 1.501 10 10 CDCEHN CCNC(=O)[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835042970 840513201 /nfs/dbraw/zinc/51/32/01/840513201.db2.gz NKWOBTJZGPTGAP-KTRBRXNASA-N 0 3 275.396 1.880 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccccc1[O-] ZINC000927152430 840639920 /nfs/dbraw/zinc/63/99/20/840639920.db2.gz UPYMAPWZTIHXFG-GHMZBOCLSA-N 0 3 272.352 1.729 10 10 CDCEHN [NH2+]=C(NCc1cc(Br)ccc1[O-])N1CCC1 ZINC000849027692 840726350 /nfs/dbraw/zinc/72/63/50/840726350.db2.gz FNEOPTJQXPUXPY-UHFFFAOYSA-N 0 3 284.157 1.885 10 10 CDCEHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(=O)NC ZINC000825316525 840803076 /nfs/dbraw/zinc/80/30/76/840803076.db2.gz PCLRSNZLWBCFJC-LLVKDONJSA-N 0 3 270.760 1.968 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1CCC2(COC2)O1)c1ccccc1[O-] ZINC000931554315 841329941 /nfs/dbraw/zinc/32/99/41/841329941.db2.gz NUXUJBHALPPANC-NEPJUHHUSA-N 0 3 263.337 1.991 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(F)ccc1[O-] ZINC000927137018 841399654 /nfs/dbraw/zinc/39/96/54/841399654.db2.gz SZBLSOPNNINOOS-XPTSAGLGSA-N 0 3 279.315 1.649 10 10 CDCEHN CN(C(=O)c1cccc(O)c1O)[C@H]1CCN(C2CC2)C1 ZINC000790890425 841813784 /nfs/dbraw/zinc/81/37/84/841813784.db2.gz VJDNAGCKBWIIGX-NSHDSACASA-N 0 3 276.336 1.407 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000850545731 841846925 /nfs/dbraw/zinc/84/69/25/841846925.db2.gz DQGWYMJIBSMBAM-WCABBAIRSA-N 0 3 278.327 1.948 10 10 CDCEHN C[C@@H](O)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858138181 842704750 /nfs/dbraw/zinc/70/47/50/842704750.db2.gz RGGAPUKYLLWQHA-SECBINFHSA-N 0 3 258.312 1.891 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000827281703 842819742 /nfs/dbraw/zinc/81/97/42/842819742.db2.gz JSFUVZMYCFEHCZ-NHYWBVRUSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000827281703 842819744 /nfs/dbraw/zinc/81/97/44/842819744.db2.gz JSFUVZMYCFEHCZ-NHYWBVRUSA-N 0 3 263.337 1.869 10 10 CDCEHN C[C@@H](CC[NH2+]Cc1cc(F)ccc1[O-])[S@@](C)=O ZINC000226620758 842824272 /nfs/dbraw/zinc/82/42/72/842824272.db2.gz YBYOCVFWEJFDAX-HUTHGQBESA-N 0 3 259.346 1.778 10 10 CDCEHN COCC[C@@H](COC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000381163405 842916559 /nfs/dbraw/zinc/91/65/59/842916559.db2.gz HPLKOYPCKAUUFZ-LBPRGKRZSA-N 0 3 257.305 1.672 10 10 CDCEHN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCN(C)C1 ZINC001566161590 1168246498 /nfs/dbraw/zinc/24/64/98/1168246498.db2.gz KTUBQYXRNHTUKZ-GFCCVEGCSA-N 0 3 278.352 1.193 10 10 CDCEHN CC(C)(C(=O)NCc1c(O)cccc1O)N1CCCCC1 ZINC001558535309 965310486 /nfs/dbraw/zinc/31/04/86/965310486.db2.gz FTEBATPTJPNXLS-UHFFFAOYSA-N 0 3 292.379 1.979 10 10 CDCEHN [NH3+]C[C@@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000848714100 969251852 /nfs/dbraw/zinc/25/18/52/969251852.db2.gz GEYXPQVWDURLNC-SECBINFHSA-N 0 3 252.211 1.511 10 10 CDCEHN C[C@@H]1CCOCCN1Cc1cc2c(cc1O)OCO2 ZINC000091590330 342405706 /nfs/dbraw/zinc/40/57/06/342405706.db2.gz PLHGDZHPAZQVCT-SNVBAGLBSA-N 0 3 265.309 1.732 10 10 CDCEHN C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000281648711 363824865 /nfs/dbraw/zinc/82/48/65/363824865.db2.gz BHTMTDAVMAHQSC-LDYMZIIASA-N 0 3 252.289 1.288 10 10 CDCEHN C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000120567277 390872641 /nfs/dbraw/zinc/87/26/41/390872641.db2.gz PPZJJZCDYSQZFO-LSDHHAIUSA-N 0 3 291.439 1.640 10 10 CDCEHN CCN1CCN(CCCC(=O)Nc2ccc(N)cc2)CC1 ZINC000022176627 171370899 /nfs/dbraw/zinc/37/08/99/171370899.db2.gz AMSKCTPFSLIDQN-UHFFFAOYSA-N 0 3 290.411 1.625 10 10 CDCEHN Nc1ccc(CC(=O)N[C@@H]2CN3CCC2CC3)cc1 ZINC000022216579 171375711 /nfs/dbraw/zinc/37/57/11/171375711.db2.gz DFUSCORGXXTCKD-CQSZACIVSA-N 0 3 259.353 1.022 10 10 CDCEHN COc1ccc([C@H](C)[NH2+]C[C@@H]2COCCO2)c([O-])c1 ZINC000038060650 174071364 /nfs/dbraw/zinc/07/13/64/174071364.db2.gz AUOLSJINCWOEGE-CMPLNLGQSA-N 0 3 267.325 1.467 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000089165385 524751585 /nfs/dbraw/zinc/75/15/85/524751585.db2.gz DUBBRBLDYIKULG-GWCFXTLKSA-N 0 3 251.326 1.651 10 10 CDCEHN CN(C)CCOc1ccc(N(C)Cc2nccn2C)cc1 ZINC000732411209 575089320 /nfs/dbraw/zinc/08/93/20/575089320.db2.gz UOVNUXAYUDTCNX-UHFFFAOYSA-N 0 3 288.395 1.997 10 10 CDCEHN C[N@H+](CCNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000918180742 632338900 /nfs/dbraw/zinc/33/89/00/632338900.db2.gz MWXQCGQCPWFAKD-UHFFFAOYSA-N 0 3 281.331 1.425 10 10 CDCEHN C[N@@H+](CCNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000918180742 632338905 /nfs/dbraw/zinc/33/89/05/632338905.db2.gz MWXQCGQCPWFAKD-UHFFFAOYSA-N 0 3 281.331 1.425 10 10 CDCEHN CCCN1CCC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001651223019 1171304220 /nfs/dbraw/zinc/30/42/20/1171304220.db2.gz WIFMQKIZCWQLBZ-ZDUSSCGKSA-N 0 3 278.352 1.588 10 10 CDCEHN COCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716673777 1180357764 /nfs/dbraw/zinc/35/77/64/1180357764.db2.gz ZZVLFAKRIPXLKS-UHFFFAOYSA-N 0 3 292.379 1.388 10 10 CDCEHN Oc1cc2c(cc1CN1CCOCC3(CC3)C1)[C@H](O)CO2 ZINC000782303386 844034216 /nfs/dbraw/zinc/03/42/16/844034216.db2.gz ZUHUKULEGZLCAL-CQSZACIVSA-N 0 3 291.347 1.430 10 10 CDCEHN COC[C@@H]1C[C@@H](O)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000846046759 844443142 /nfs/dbraw/zinc/44/31/42/844443142.db2.gz AIJQRYRHJGMNDL-XPQDNOAISA-N 0 3 290.407 1.847 10 10 CDCEHN OC1CCN(c2ccc(CNCc3cn[nH]c3)cc2)CC1 ZINC000850406179 844628833 /nfs/dbraw/zinc/62/88/33/844628833.db2.gz VTKDXLKXADDIEO-UHFFFAOYSA-N 0 3 286.379 1.661 10 10 CDCEHN COc1ccc(N(C)C[C@@H]2CNCCO2)cc1OC ZINC000258848946 843072481 /nfs/dbraw/zinc/07/24/81/843072481.db2.gz FTIYEEASKWCFJT-LBPRGKRZSA-N 0 3 266.341 1.128 10 10 CDCEHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000826967136 843722521 /nfs/dbraw/zinc/72/25/21/843722521.db2.gz FBYMOKMOLIFUCL-GXTWGEPZSA-N 0 3 277.320 1.042 10 10 CDCEHN Cc1cccc(CN2CCN(CCO)C[C@H]2C)c1O ZINC000825338125 843870345 /nfs/dbraw/zinc/87/03/45/843870345.db2.gz MELDLKUBSDNXBQ-CYBMUJFWSA-N 0 3 264.369 1.199 10 10 CDCEHN Oc1cc2c(cc1CN1CCOCC3(CC3)C1)OCO2 ZINC000782301824 843895052 /nfs/dbraw/zinc/89/50/52/843895052.db2.gz QTMMDQNJULXJII-UHFFFAOYSA-N 0 3 277.320 1.733 10 10 CDCEHN C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(F)cc1[O-] ZINC000854227033 844841783 /nfs/dbraw/zinc/84/17/83/844841783.db2.gz KQQZCTNXJQQOQF-NAUIOFCNSA-N 0 3 250.317 1.934 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000817978009 845102498 /nfs/dbraw/zinc/10/24/98/845102498.db2.gz TVEHEGJKPGVKMD-GUBZILKMSA-N 0 3 266.341 1.565 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CCO[C@H]1CC1(F)F ZINC000850365743 845234659 /nfs/dbraw/zinc/23/46/59/845234659.db2.gz NIBITVNRHFNUAI-LBPRGKRZSA-N 0 3 273.279 1.915 10 10 CDCEHN C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000135023610 845986315 /nfs/dbraw/zinc/98/63/15/845986315.db2.gz IHPIYIAJHITMRM-SNVBAGLBSA-N 0 3 250.342 1.958 10 10 CDCEHN C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccccc1[O-] ZINC000783516236 846219146 /nfs/dbraw/zinc/21/91/46/846219146.db2.gz AJBXSTNGHIUJQM-GFCCVEGCSA-N 0 3 298.408 1.468 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C2COCCOC2)c1[O-] ZINC000814172153 846316258 /nfs/dbraw/zinc/31/62/58/846316258.db2.gz AKXQKLZNRGDKAL-UHFFFAOYSA-N 0 3 271.744 1.859 10 10 CDCEHN CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)N1 ZINC000856407818 846340632 /nfs/dbraw/zinc/34/06/32/846340632.db2.gz CGNXOPZORSBCPF-VHSXEESVSA-N 0 3 264.325 1.310 10 10 CDCEHN CC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(=O)NC ZINC000825316526 847047212 /nfs/dbraw/zinc/04/72/12/847047212.db2.gz PCLRSNZLWBCFJC-NSHDSACASA-N 0 3 270.760 1.968 10 10 CDCEHN COC[C@@H]1CCN1Cc1cc(C)cc(OC)c1O ZINC000840083767 847380318 /nfs/dbraw/zinc/38/03/18/847380318.db2.gz RTUSTANRVVYPSE-LBPRGKRZSA-N 0 3 251.326 1.930 10 10 CDCEHN COc1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1C ZINC000714244251 847717331 /nfs/dbraw/zinc/71/73/31/847717331.db2.gz CXMQYYBGCZQFRJ-JOCQHMNTSA-N 0 3 283.393 1.669 10 10 CDCEHN C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723575373 847970274 /nfs/dbraw/zinc/97/02/74/847970274.db2.gz FXUUOYUQXPSFEH-NWDGAFQWSA-N 0 3 262.353 1.911 10 10 CDCEHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NC ZINC000697871257 909413908 /nfs/dbraw/zinc/41/39/08/909413908.db2.gz OEQTYYQOSCSDJB-KWQFWETISA-N 0 3 254.305 1.707 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093740202 342425872 /nfs/dbraw/zinc/42/58/72/342425872.db2.gz VWVRSSOVKYPRNE-CQSZACIVSA-N 0 3 294.395 1.289 10 10 CDCEHN Cc1cc(O)c(CN2CC[C@H](NC(N)=O)C2)cc1C ZINC000271423667 364983147 /nfs/dbraw/zinc/98/31/47/364983147.db2.gz ZTSSHVYCJXXBRI-LBPRGKRZSA-N 0 3 263.341 1.252 10 10 CDCEHN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000284853947 368555859 /nfs/dbraw/zinc/55/58/59/368555859.db2.gz CVLVEKBXONYAJO-GXTWGEPZSA-N 0 3 285.359 1.779 10 10 CDCEHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823761 173778159 /nfs/dbraw/zinc/77/81/59/173778159.db2.gz XWUDTMQVKVYWJX-GXFFZTMASA-N 0 3 250.342 1.724 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]CCN2CCOCC2)c1 ZINC000071406161 176155890 /nfs/dbraw/zinc/15/58/90/176155890.db2.gz CAEWVVCJYBWXLN-UHFFFAOYSA-N 0 3 250.342 1.122 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]CC1(O)CCCC1)OCO2 ZINC000096479112 526337185 /nfs/dbraw/zinc/33/71/85/526337185.db2.gz IGDODTWGUPHACI-UHFFFAOYSA-N 0 3 265.309 1.516 10 10 CDCEHN O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccccc1[O-] ZINC000725848777 574444291 /nfs/dbraw/zinc/44/42/91/574444291.db2.gz HUARHBHLLRQNFX-UHFFFAOYSA-N 0 3 296.326 1.778 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c([O-])c1 ZINC000768441372 576283685 /nfs/dbraw/zinc/28/36/85/576283685.db2.gz GIDOHKIQXMNEDM-YPMHNXCESA-N 0 3 292.379 1.877 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c([O-])c1 ZINC000768441372 576283686 /nfs/dbraw/zinc/28/36/86/576283686.db2.gz GIDOHKIQXMNEDM-YPMHNXCESA-N 0 3 292.379 1.877 10 10 CDCEHN COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000918745970 632437571 /nfs/dbraw/zinc/43/75/71/632437571.db2.gz UWTDDGWSCKMOFY-ZWNOBZJWSA-N 0 3 293.367 1.293 10 10 CDCEHN CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCN(C)CC1 ZINC001637188687 1166734829 /nfs/dbraw/zinc/73/48/29/1166734829.db2.gz LUOLGALREXPBML-UHFFFAOYSA-N 0 3 292.379 1.583 10 10 CDCEHN C[C@H](NCc1ccc2c(c1)CCO2)C1(S(C)(=O)=O)CC1 ZINC000796490812 697807086 /nfs/dbraw/zinc/80/70/86/697807086.db2.gz OEZMSJKSWNALKW-NSHDSACASA-N 0 3 295.404 1.677 10 10 CDCEHN COc1c([O-])c(CN[C@@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088617 697844597 /nfs/dbraw/zinc/84/45/97/697844597.db2.gz BBOIGHIEOYHZFV-LLVKDONJSA-N 0 3 295.339 1.541 10 10 CDCEHN CCN(CC)c1ccc(CNC[C@@H](O)[C@H](C)O)cc1F ZINC000865738088 698284726 /nfs/dbraw/zinc/28/47/26/698284726.db2.gz BYCQAAIFMTWCHV-XHDPSFHLSA-N 0 3 284.375 1.503 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@]1(O)CCCOC1 ZINC000851841891 698439154 /nfs/dbraw/zinc/43/91/54/698439154.db2.gz ZHYSCBUDNMZAAR-CQSZACIVSA-N 0 3 251.326 1.366 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@]1(O)CCCOC1 ZINC000851841891 698439155 /nfs/dbraw/zinc/43/91/55/698439155.db2.gz ZHYSCBUDNMZAAR-CQSZACIVSA-N 0 3 251.326 1.366 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000824583985 699007132 /nfs/dbraw/zinc/00/71/32/699007132.db2.gz ULOKTAZKYSLBLP-AWEZNQCLSA-N 0 3 282.359 1.468 10 10 CDCEHN COc1ccc(CNC(=O)CN2CC[C@H](C)C2)c(O)c1 ZINC000848024065 705192708 /nfs/dbraw/zinc/19/27/08/705192708.db2.gz VPBKAEPEPRXANR-NSHDSACASA-N 0 3 278.352 1.359 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000827364957 705199401 /nfs/dbraw/zinc/19/94/01/705199401.db2.gz IFMGXPHSKVLIAU-STQMWFEESA-N 0 3 251.301 1.924 10 10 CDCEHN CNC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849050121 705207266 /nfs/dbraw/zinc/20/72/66/705207266.db2.gz PCVYSZWGDRKIPU-UHFFFAOYSA-N 0 3 258.119 1.398 10 10 CDCEHN CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000800309319 848479674 /nfs/dbraw/zinc/47/96/74/848479674.db2.gz HQWSUDNEVSVGCX-DGCLKSJQSA-N 0 3 298.408 1.200 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CCC(O)(CO)CC2)cc1 ZINC000827141812 849387042 /nfs/dbraw/zinc/38/70/42/849387042.db2.gz YEUJGEVHMAZMCZ-ARJAWSKDSA-N 0 3 290.407 1.585 10 10 CDCEHN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000858493965 849535352 /nfs/dbraw/zinc/53/53/52/849535352.db2.gz BGPOVDLSJRZKHG-NRPADANISA-N 0 3 252.289 1.446 10 10 CDCEHN C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000716739090 849848111 /nfs/dbraw/zinc/84/81/11/849848111.db2.gz BGPOVDLSJRZKHG-JEUQWKINSA-N 0 3 252.289 1.446 10 10 CDCEHN CCOc1cccc(CNCC(=O)N(CC)OC)c1O ZINC000842768110 850067956 /nfs/dbraw/zinc/06/79/56/850067956.db2.gz IBNJISYOMATRTF-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([O-])cs3)[C@@H]2C1 ZINC001347596411 965610884 /nfs/dbraw/zinc/61/08/84/965610884.db2.gz FAKZTQHNMMYZRQ-JMJZKYOTSA-N 0 3 266.366 1.524 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([O-])cs3)[C@@H]2C1 ZINC001347596411 965610888 /nfs/dbraw/zinc/61/08/88/965610888.db2.gz FAKZTQHNMMYZRQ-JMJZKYOTSA-N 0 3 266.366 1.524 10 10 CDCEHN COc1cc([O-])c(C[NH2+]CC2COC2)cc1OC ZINC000529673235 368088084 /nfs/dbraw/zinc/08/80/84/368088084.db2.gz IHYYNLBWNBJZDT-UHFFFAOYSA-N 0 3 253.298 1.145 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295143193 371135355 /nfs/dbraw/zinc/13/53/55/371135355.db2.gz QDPRHTRUDSECQC-HOCLYGCPSA-N 0 3 276.380 1.606 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295143193 371135358 /nfs/dbraw/zinc/13/53/58/371135358.db2.gz QDPRHTRUDSECQC-HOCLYGCPSA-N 0 3 276.380 1.606 10 10 CDCEHN C[NH+](C)CC(C)(C)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000069560601 378306484 /nfs/dbraw/zinc/30/64/84/378306484.db2.gz IYULLVXTKLXIFG-UHFFFAOYSA-N 0 3 281.356 1.978 10 10 CDCEHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183398471 391263703 /nfs/dbraw/zinc/26/37/03/391263703.db2.gz WSOSWGRGKGHDGK-CHWSQXEVSA-N 0 3 264.369 1.764 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000071408221 176156906 /nfs/dbraw/zinc/15/69/06/176156906.db2.gz LAXXOYDHUPPTEL-NSHDSACASA-N 0 3 269.366 1.225 10 10 CDCEHN CO[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C ZINC000190193609 264351483 /nfs/dbraw/zinc/35/14/83/264351483.db2.gz VPCAKHQPAKRNSL-BMIGLBTASA-N 0 3 279.336 1.978 10 10 CDCEHN CO[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CC[C@H]1C ZINC000190193609 264351484 /nfs/dbraw/zinc/35/14/84/264351484.db2.gz VPCAKHQPAKRNSL-BMIGLBTASA-N 0 3 279.336 1.978 10 10 CDCEHN CO[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC[C@H]1C ZINC000190193609 264351487 /nfs/dbraw/zinc/35/14/87/264351487.db2.gz VPCAKHQPAKRNSL-BMIGLBTASA-N 0 3 279.336 1.978 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC13CCOCC3)OCO2 ZINC000370080796 267289530 /nfs/dbraw/zinc/28/95/30/267289530.db2.gz HAMGZBJQSUANQO-UHFFFAOYSA-N 0 3 277.320 1.876 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CCC13CCOCC3)OCO2 ZINC000370080796 267289531 /nfs/dbraw/zinc/28/95/31/267289531.db2.gz HAMGZBJQSUANQO-UHFFFAOYSA-N 0 3 277.320 1.876 10 10 CDCEHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]2CCCCN12 ZINC000373019234 327687120 /nfs/dbraw/zinc/68/71/20/327687120.db2.gz GEOOLKDKFUZAQZ-QWHCGFSZSA-N 0 3 260.337 1.635 10 10 CDCEHN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000277646480 334816301 /nfs/dbraw/zinc/81/63/01/334816301.db2.gz DIVDZHUXQMUANR-KOLCDFICSA-N 0 3 265.309 1.636 10 10 CDCEHN COC[C@@](C)(CCO)NCc1ccc(OC)c(C)c1 ZINC000267358572 522526265 /nfs/dbraw/zinc/52/62/65/522526265.db2.gz NITYZBJITLQJJD-OAHLLOKOSA-N 0 3 267.369 1.881 10 10 CDCEHN CCOc1ccc([O-])c(C[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000727645471 574592745 /nfs/dbraw/zinc/59/27/45/574592745.db2.gz LYLZEEZVZUNCNY-UHFFFAOYSA-N 0 3 292.379 1.925 10 10 CDCEHN COc1ccc(N2CCC(N[C@H]3CCNC3=O)CC2)cc1 ZINC000769849753 575391604 /nfs/dbraw/zinc/39/16/04/575391604.db2.gz CRHUBKSQOURUSJ-HNNXBMFYSA-N 0 3 289.379 1.142 10 10 CDCEHN Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)c([O-])c1O ZINC000751533412 577048528 /nfs/dbraw/zinc/04/85/28/577048528.db2.gz NVCQTONYSMVONZ-UHFFFAOYSA-N 0 3 278.352 1.572 10 10 CDCEHN COc1ccc(N2CC[C@H](NCc3c[nH]cn3)C2)cc1 ZINC000895228006 619464738 /nfs/dbraw/zinc/46/47/38/619464738.db2.gz HXCLZUMKATXDMA-LBPRGKRZSA-N 0 3 272.352 1.787 10 10 CDCEHN CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927134161 621774127 /nfs/dbraw/zinc/77/41/27/621774127.db2.gz HFTZEDVEXZENNU-WFASDCNBSA-N 0 3 275.352 1.900 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845667 710825469 /nfs/dbraw/zinc/82/54/69/710825469.db2.gz LENUKLQIGVLESQ-NSHDSACASA-N 0 3 276.315 1.645 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845667 710825476 /nfs/dbraw/zinc/82/54/76/710825476.db2.gz LENUKLQIGVLESQ-NSHDSACASA-N 0 3 276.315 1.645 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000834673931 705490735 /nfs/dbraw/zinc/49/07/35/705490735.db2.gz XSIYTXWKDZEOLR-CABNGKKXSA-N 0 3 286.375 1.978 10 10 CDCEHN COc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000862526473 705821986 /nfs/dbraw/zinc/82/19/86/705821986.db2.gz BLHWOUCCWNFFCW-JGRMJRGVSA-N 0 3 295.404 1.886 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000862526473 705821987 /nfs/dbraw/zinc/82/19/87/705821987.db2.gz BLHWOUCCWNFFCW-JGRMJRGVSA-N 0 3 295.404 1.886 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000862526473 705821990 /nfs/dbraw/zinc/82/19/90/705821990.db2.gz BLHWOUCCWNFFCW-JGRMJRGVSA-N 0 3 295.404 1.886 10 10 CDCEHN CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000168866240 705855775 /nfs/dbraw/zinc/85/57/75/705855775.db2.gz DVUMCWAOLDZKEK-AAEUAGOBSA-N 0 3 282.359 1.903 10 10 CDCEHN COc1ccc2c(c1)CCCN2C[C@@H]1CNCCO1 ZINC000852745149 705893415 /nfs/dbraw/zinc/89/34/15/705893415.db2.gz PCMITVKMQCZSIN-AWEZNQCLSA-N 0 3 262.353 1.436 10 10 CDCEHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN1CCO ZINC000190244831 709839963 /nfs/dbraw/zinc/83/99/63/709839963.db2.gz RGZOOTMWVAYDPQ-CQSZACIVSA-N 0 3 277.412 1.251 10 10 CDCEHN CO[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@@H]1C ZINC000783970355 710258335 /nfs/dbraw/zinc/25/83/35/710258335.db2.gz CAAYFKMXEBBUJQ-JMPLFQLZSA-N 0 3 293.363 1.675 10 10 CDCEHN CO[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@@H]1C ZINC000783970355 710258341 /nfs/dbraw/zinc/25/83/41/710258341.db2.gz CAAYFKMXEBBUJQ-JMPLFQLZSA-N 0 3 293.363 1.675 10 10 CDCEHN C[C@@H]1CCNC(=O)[C@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000835051239 710447676 /nfs/dbraw/zinc/44/76/76/710447676.db2.gz IPGHJJKIQUDXAK-DUIDPNDXSA-N 0 3 287.407 1.880 10 10 CDCEHN CCC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166474221 710535316 /nfs/dbraw/zinc/53/53/16/710535316.db2.gz ADKGVWHLNIKRRF-CQSZACIVSA-N 0 3 275.396 1.813 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCCC[NH2+]C2)c1 ZINC000817983689 710588448 /nfs/dbraw/zinc/58/84/48/710588448.db2.gz IGHUVGPRDZUJMF-YPMHNXCESA-N 0 3 292.379 1.972 10 10 CDCEHN CCOc1ccc(CNCC(=O)N(CC)OC)c(O)c1 ZINC000842768301 710672621 /nfs/dbraw/zinc/67/26/21/710672621.db2.gz LTXXGOXJHTXKIA-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN CCOc1ccc(C[NH2+]CC(=O)N(CC)OC)c([O-])c1 ZINC000842768301 710672639 /nfs/dbraw/zinc/67/26/39/710672639.db2.gz LTXXGOXJHTXKIA-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(F)ccc1[O-] ZINC000724622563 711443441 /nfs/dbraw/zinc/44/34/41/711443441.db2.gz IOMVLOZZXVJZEH-NOBRSGAKSA-N 0 3 281.327 1.986 10 10 CDCEHN COCCN(C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835027993 711793081 /nfs/dbraw/zinc/79/30/81/711793081.db2.gz OPTQTUUMSLHKHM-SNAWJCMRSA-N 0 3 278.396 1.707 10 10 CDCEHN CC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000872800260 711794367 /nfs/dbraw/zinc/79/43/67/711794367.db2.gz UXQTVCJDICXHTA-OAHLLOKOSA-N 0 3 291.347 1.619 10 10 CDCEHN CC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000872800260 711794369 /nfs/dbraw/zinc/79/43/69/711794369.db2.gz UXQTVCJDICXHTA-OAHLLOKOSA-N 0 3 291.347 1.619 10 10 CDCEHN CCC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166474106 711808512 /nfs/dbraw/zinc/80/85/12/711808512.db2.gz ADKGVWHLNIKRRF-AWEZNQCLSA-N 0 3 275.396 1.813 10 10 CDCEHN CCN(CC)c1ccc(CN[C@H]2CCNC2=O)cc1 ZINC000693906116 897694802 /nfs/dbraw/zinc/69/48/02/897694802.db2.gz FJUZJPMCSIHTKU-AWEZNQCLSA-N 0 3 261.369 1.511 10 10 CDCEHN C[C@H](CN1CCOCC1)C[N@H+](C)Cc1ccccc1[O-] ZINC001167735335 899554469 /nfs/dbraw/zinc/55/44/69/899554469.db2.gz ZDLPKVZGSFMEGL-AWEZNQCLSA-N 0 3 278.396 1.792 10 10 CDCEHN C[C@H](CN1CCOCC1)C[N@@H+](C)Cc1ccccc1[O-] ZINC001167735335 899554479 /nfs/dbraw/zinc/55/44/79/899554479.db2.gz ZDLPKVZGSFMEGL-AWEZNQCLSA-N 0 3 278.396 1.792 10 10 CDCEHN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)NC ZINC000697871259 909414957 /nfs/dbraw/zinc/41/49/57/909414957.db2.gz OEQTYYQOSCSDJB-LDYMZIIASA-N 0 3 254.305 1.707 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(O)c3[O-])[C@H]2C1 ZINC001529326558 969027845 /nfs/dbraw/zinc/02/78/45/969027845.db2.gz AHMQREBBRSZKRZ-DLOVCJGASA-N 0 3 276.336 1.168 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(O)c3[O-])[C@H]2C1 ZINC001529326558 969027856 /nfs/dbraw/zinc/02/78/56/969027856.db2.gz AHMQREBBRSZKRZ-DLOVCJGASA-N 0 3 276.336 1.168 10 10 CDCEHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1C ZINC000295124008 371132755 /nfs/dbraw/zinc/13/27/55/371132755.db2.gz NSAAODHEIDZLIY-RDJZCZTQSA-N 0 3 290.407 1.914 10 10 CDCEHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1C ZINC000295124008 371132758 /nfs/dbraw/zinc/13/27/58/371132758.db2.gz NSAAODHEIDZLIY-RDJZCZTQSA-N 0 3 290.407 1.914 10 10 CDCEHN C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(O)cc1[O-] ZINC000037267139 173077661 /nfs/dbraw/zinc/07/76/61/173077661.db2.gz BWIBPXGLDHLEPU-JTQLQIEISA-N 0 3 250.342 1.843 10 10 CDCEHN CC(C)CN(Cc1ccc(N(C)C)cc1)C(=O)CN ZINC000076678736 177056704 /nfs/dbraw/zinc/05/67/04/177056704.db2.gz GDTGKEJBBYDVHQ-UHFFFAOYSA-N 0 3 263.385 1.696 10 10 CDCEHN CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000186921479 262116913 /nfs/dbraw/zinc/11/69/13/262116913.db2.gz WHSKRNNIPIEMMK-SNVBAGLBSA-N 0 3 266.341 1.558 10 10 CDCEHN COc1ccc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783315 524440367 /nfs/dbraw/zinc/44/03/67/524440367.db2.gz SURLBNGLJSRKIJ-SECBINFHSA-N 0 3 251.286 1.402 10 10 CDCEHN COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000126740140 525959484 /nfs/dbraw/zinc/95/94/84/525959484.db2.gz IOWACXDPZHHIMD-FUNVUKJBSA-N 0 3 263.337 1.889 10 10 CDCEHN COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000126740140 525959489 /nfs/dbraw/zinc/95/94/89/525959489.db2.gz IOWACXDPZHHIMD-FUNVUKJBSA-N 0 3 263.337 1.889 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCC[C@H]1O)OCO2 ZINC000089151330 526336629 /nfs/dbraw/zinc/33/66/29/526336629.db2.gz PPQSUOSRFPRFCR-MWLCHTKSSA-N 0 3 265.309 1.372 10 10 CDCEHN COc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1C ZINC000282472994 538842820 /nfs/dbraw/zinc/84/28/20/538842820.db2.gz UULNYIUDVIEOMY-YPMHNXCESA-N 0 3 262.353 1.760 10 10 CDCEHN COc1ccc(O)c(CNCc2cnc(C)nc2)c1 ZINC000734003516 575151514 /nfs/dbraw/zinc/15/15/14/575151514.db2.gz KMMMVPSHBBQMJF-UHFFFAOYSA-N 0 3 259.309 1.789 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895323033 619556948 /nfs/dbraw/zinc/55/69/48/619556948.db2.gz XXWJBWRQQOMDEB-LLYBFZRZSA-N 0 3 287.407 1.880 10 10 CDCEHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1ccccc1O ZINC000870988433 620565081 /nfs/dbraw/zinc/56/50/81/620565081.db2.gz PDWAVYJNCADWBD-HZGVNTEJSA-N 0 3 262.231 1.459 10 10 CDCEHN C[C@@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000931555593 711849659 /nfs/dbraw/zinc/84/96/59/711849659.db2.gz YXZHSYVETJVQHU-GFCCVEGCSA-N 0 3 292.379 1.680 10 10 CDCEHN C[C@@H](C[NH2+]Cc1ccccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563723 711866577 /nfs/dbraw/zinc/86/65/77/711866577.db2.gz WWFAEEGRQQDEEW-MELADBBJSA-N 0 3 278.396 1.980 10 10 CDCEHN C[C@H]1C[NH+]=C(NCc2cc(Br)ccc2[O-])N1 ZINC000849027857 712336604 /nfs/dbraw/zinc/33/66/04/712336604.db2.gz LVPZJWLFFYFVPX-ZETCQYMHSA-N 0 3 284.157 1.592 10 10 CDCEHN CN(C)c1ccc(CNC2COCCOC2)cc1 ZINC000385702747 712497410 /nfs/dbraw/zinc/49/74/10/712497410.db2.gz GFOXZRRTSOVARU-UHFFFAOYSA-N 0 3 250.342 1.258 10 10 CDCEHN C[N@H+](CCO[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000929976041 712775643 /nfs/dbraw/zinc/77/56/43/712775643.db2.gz LXCYCYBPNMWOKN-ZDUSSCGKSA-N 0 3 251.326 1.630 10 10 CDCEHN C[N@@H+](CCO[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000929976041 712775645 /nfs/dbraw/zinc/77/56/45/712775645.db2.gz LXCYCYBPNMWOKN-ZDUSSCGKSA-N 0 3 251.326 1.630 10 10 CDCEHN COc1ccc(N2CCN([C@@H](C)[C@@H](C)O)CC2)cc1F ZINC001168069621 906652461 /nfs/dbraw/zinc/65/24/61/906652461.db2.gz ZUGVEAPKRSOWLH-NWDGAFQWSA-N 0 3 282.359 1.726 10 10 CDCEHN CCOc1ccc(N2CCN([C@H](C)[C@@H](C)O)CC2)cc1 ZINC001168331528 909073949 /nfs/dbraw/zinc/07/39/49/909073949.db2.gz JQHXZNQNNWJGCX-ZIAGYGMSSA-N 0 3 278.396 1.977 10 10 CDCEHN O=S1(=O)CCC[C@@H]1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000714347166 909722107 /nfs/dbraw/zinc/72/21/07/909722107.db2.gz IGOAHEARGKZSGE-CHWSQXEVSA-N 0 3 295.404 1.936 10 10 CDCEHN Cn1cnc(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000842900096 918928545 /nfs/dbraw/zinc/92/85/45/918928545.db2.gz FJPBYMOOPZPCGQ-GFCCVEGCSA-N 0 3 272.352 1.730 10 10 CDCEHN CCOc1ccc(O)c(CN2CC(CCO)C2)c1 ZINC000839139998 936906185 /nfs/dbraw/zinc/90/61/85/936906185.db2.gz HTRDIDVWHMQNON-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NC(=O)Cc2nc[nH]c2C)c1 ZINC001545683828 926753341 /nfs/dbraw/zinc/75/33/41/926753341.db2.gz BNKOCWYHGYWXAD-SECBINFHSA-N 0 3 289.335 1.852 10 10 CDCEHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000179590228 357213859 /nfs/dbraw/zinc/21/38/59/357213859.db2.gz XWTNGNPMJTYTDR-UHFFFAOYSA-N 0 3 292.379 1.701 10 10 CDCEHN COc1ccc(O)c(CN2CCC(C(=O)N(C)C)CC2)c1 ZINC000179590228 357213862 /nfs/dbraw/zinc/21/38/62/357213862.db2.gz XWTNGNPMJTYTDR-UHFFFAOYSA-N 0 3 292.379 1.701 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)N(C)C)c1[O-] ZINC000191805476 358155256 /nfs/dbraw/zinc/15/52/56/358155256.db2.gz VDEFMQCVIHZQAY-VIFPVBQESA-N 0 3 270.760 1.920 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([O-])c1O ZINC000245598473 376108682 /nfs/dbraw/zinc/10/86/82/376108682.db2.gz JHSPYYGCVLDUIX-NEPJUHHUSA-N 0 3 290.363 1.715 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([O-])c1O ZINC000245598473 376108685 /nfs/dbraw/zinc/10/86/85/376108685.db2.gz JHSPYYGCVLDUIX-NEPJUHHUSA-N 0 3 290.363 1.715 10 10 CDCEHN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000122574297 390903705 /nfs/dbraw/zinc/90/37/05/390903705.db2.gz YFBWUMCJEVOXRE-OAHLLOKOSA-N 0 3 275.396 1.805 10 10 CDCEHN CCOc1cccc(C[NH2+]CCCC(=O)OC)c1[O-] ZINC000037416944 173194269 /nfs/dbraw/zinc/19/42/69/173194269.db2.gz BVQMFWSRRGUZKR-UHFFFAOYSA-N 0 3 267.325 1.834 10 10 CDCEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000187123752 262124872 /nfs/dbraw/zinc/12/48/72/262124872.db2.gz DVGQIUOVDUWBCW-MNOVXSKESA-N 0 3 278.352 1.653 10 10 CDCEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000187123752 262124873 /nfs/dbraw/zinc/12/48/73/262124873.db2.gz DVGQIUOVDUWBCW-MNOVXSKESA-N 0 3 278.352 1.653 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)C2CC2)c1 ZINC000071299299 524761999 /nfs/dbraw/zinc/76/19/99/524761999.db2.gz BBHFGEAIPUNXDL-OTYXRUKQSA-N 0 3 251.326 1.822 10 10 CDCEHN COc1cccc(O)c1CN1CCSC[C@@H]1CCO ZINC000770305702 575437692 /nfs/dbraw/zinc/43/76/92/575437692.db2.gz IWZAOVZMBCSNEW-NSHDSACASA-N 0 3 283.393 1.701 10 10 CDCEHN CCOc1ccc([O-])c(C[NH2+]C2(CCO)CCOCC2)c1 ZINC000761991864 576611096 /nfs/dbraw/zinc/61/10/96/576611096.db2.gz DJPNVJHLILXRSA-UHFFFAOYSA-N 0 3 295.379 1.812 10 10 CDCEHN COC[C@@H](CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055326 896393806 /nfs/dbraw/zinc/39/38/06/896393806.db2.gz YCANZOGXJNVQDK-ZRUQZJFASA-N 0 3 264.369 1.363 10 10 CDCEHN COc1ccc(N2CCN([C@H](C)[C@@H](C)O)CC2)cc1F ZINC001168069623 906653042 /nfs/dbraw/zinc/65/30/42/906653042.db2.gz ZUGVEAPKRSOWLH-VXGBXAGGSA-N 0 3 282.359 1.726 10 10 CDCEHN COC[C@@](C)(CO)NCc1ccc(OC)c(C)c1 ZINC000716873523 910703290 /nfs/dbraw/zinc/70/32/90/910703290.db2.gz PSHZYDCDHNZGGK-CQSZACIVSA-N 0 3 253.342 1.491 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000827281701 936519491 /nfs/dbraw/zinc/51/94/91/936519491.db2.gz JSFUVZMYCFEHCZ-ABAIWWIYSA-N 0 3 263.337 1.869 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000827281701 936519494 /nfs/dbraw/zinc/51/94/94/936519494.db2.gz JSFUVZMYCFEHCZ-ABAIWWIYSA-N 0 3 263.337 1.869 10 10 CDCEHN C[C@@H]1CCNC(=O)[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000835051242 936715753 /nfs/dbraw/zinc/71/57/53/936715753.db2.gz IPGHJJKIQUDXAK-LVQRLBQTSA-N 0 3 287.407 1.880 10 10 CDCEHN CO[C@@](C)(CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000702536717 922565138 /nfs/dbraw/zinc/56/51/38/922565138.db2.gz JSOHOTXBURGURF-BXUZGUMPSA-N 0 3 251.326 1.367 10 10 CDCEHN Cc1cc([O-])c(CNC[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000841085608 936974753 /nfs/dbraw/zinc/97/47/53/936974753.db2.gz IMOIOVMOHKCPDC-NSHDSACASA-N 0 3 284.787 1.822 10 10 CDCEHN C[C@H]1CC[C@H](NCc2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850368040 927420831 /nfs/dbraw/zinc/42/08/31/927420831.db2.gz HUAWUBWBHNJXIA-JSGCOSHPSA-N 0 3 296.436 1.808 10 10 CDCEHN [O-]c1ccc(Cl)cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853248154 927989154 /nfs/dbraw/zinc/98/91/54/927989154.db2.gz CGCXWXWVLRSHBW-UHFFFAOYSA-N 0 3 268.744 1.220 10 10 CDCEHN CCOc1ccc(O)c(CNCC(=O)N(CC)OCC)c1 ZINC000858219375 928819789 /nfs/dbraw/zinc/81/97/89/928819789.db2.gz JRJLTAGDDNPDGN-UHFFFAOYSA-N 0 3 296.367 1.681 10 10 CDCEHN CCON(CC)C(=O)CNCc1cc(C)ccc1O ZINC000858219049 928821098 /nfs/dbraw/zinc/82/10/98/928821098.db2.gz CPMQVHRIIYAUKJ-UHFFFAOYSA-N 0 3 266.341 1.590 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NC(=O)C(N)C(F)(F)F)c1 ZINC000828667512 931340212 /nfs/dbraw/zinc/34/02/12/931340212.db2.gz RQXUJXINEFHQCR-LHLIQPBNSA-N 0 3 292.257 1.468 10 10 CDCEHN CCOc1ccc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c([O-])c1 ZINC000825130215 931491641 /nfs/dbraw/zinc/49/16/41/931491641.db2.gz PPZNTVFIIZTPIL-SWLSCSKDSA-N 0 3 295.379 1.763 10 10 CDCEHN CCOc1ccc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c([O-])c1 ZINC000825130215 931491642 /nfs/dbraw/zinc/49/16/42/931491642.db2.gz PPZNTVFIIZTPIL-SWLSCSKDSA-N 0 3 295.379 1.763 10 10 CDCEHN Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000927133023 933046890 /nfs/dbraw/zinc/04/68/90/933046890.db2.gz XSDDEFGAWOMMKY-BXUZGUMPSA-N 0 3 273.336 1.436 10 10 CDCEHN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090026860 934814223 /nfs/dbraw/zinc/81/42/23/934814223.db2.gz OJBKGAIARZVLDE-NWDGAFQWSA-N 0 3 276.336 1.580 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)c([O-])c1 ZINC000404171886 940954987 /nfs/dbraw/zinc/95/49/87/940954987.db2.gz OUBOODHCEYWCMG-IUODEOHRSA-N 0 3 265.353 1.893 10 10 CDCEHN COc1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)c([O-])c1 ZINC000849025101 969413937 /nfs/dbraw/zinc/41/39/37/969413937.db2.gz OCXHZAYFKVAOEY-JTQLQIEISA-N 0 3 279.340 1.146 10 10 CDCEHN COc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c([O-])c1 ZINC000083383247 178385917 /nfs/dbraw/zinc/38/59/17/178385917.db2.gz RWAUFZYTNXEYSZ-QWRGUYRKSA-N 0 3 250.342 1.583 10 10 CDCEHN CC[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000123462792 360288809 /nfs/dbraw/zinc/28/88/09/360288809.db2.gz BCYNZDZPGGCIDS-QGZVFWFLSA-N 0 3 291.439 1.641 10 10 CDCEHN COc1cc([O-])c(C[NH2+]C(C)(C)[C@H](C)O)cc1OC ZINC000271770250 364997679 /nfs/dbraw/zinc/99/76/79/364997679.db2.gz BMRLLZZTVQTXIE-VIFPVBQESA-N 0 3 269.341 1.658 10 10 CDCEHN COCC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000281283533 367616410 /nfs/dbraw/zinc/61/64/10/367616410.db2.gz OMSDKHPUFMWPCX-LBPRGKRZSA-N 0 3 273.760 1.841 10 10 CDCEHN CN(C)c1ccc(CNC[C@H]2CN(C)CCO2)cc1 ZINC000105472064 391065144 /nfs/dbraw/zinc/06/51/44/391065144.db2.gz QXBWRXATKWGJQB-HNNXBMFYSA-N 0 3 263.385 1.173 10 10 CDCEHN COC(CNCc1ccc(N2CCCC2)cc1)OC ZINC000037566780 173514594 /nfs/dbraw/zinc/51/45/94/173514594.db2.gz KTVMAMLPGOFQJM-UHFFFAOYSA-N 0 3 264.369 1.995 10 10 CDCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000091666940 260266475 /nfs/dbraw/zinc/26/64/75/260266475.db2.gz UIVKBEVZJSXUTF-STQMWFEESA-N 0 3 264.369 1.682 10 10 CDCEHN COc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000363264073 267082064 /nfs/dbraw/zinc/08/20/64/267082064.db2.gz HTOXEAUYYVSIGK-RAIGVLPGSA-N 0 3 290.363 1.500 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1)OCO2 ZINC000230316762 333316305 /nfs/dbraw/zinc/31/63/05/333316305.db2.gz ZOIPNOODOACLRN-IAQYHMDHSA-N 0 3 277.320 1.778 10 10 CDCEHN CCN1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000040501659 521645003 /nfs/dbraw/zinc/64/50/03/521645003.db2.gz XICTUAZNPIQMDL-AWEZNQCLSA-N 0 3 261.369 1.412 10 10 CDCEHN CCOc1ccc([O-])c(C[N@H+](C)CCCCO)c1 ZINC000276696451 521141773 /nfs/dbraw/zinc/14/17/73/521141773.db2.gz SUXPBQXIYHADSV-UHFFFAOYSA-N 0 3 253.342 1.995 10 10 CDCEHN CCOc1ccc([O-])c(C[N@@H+](C)CCCCO)c1 ZINC000276696451 521141780 /nfs/dbraw/zinc/14/17/80/521141780.db2.gz SUXPBQXIYHADSV-UHFFFAOYSA-N 0 3 253.342 1.995 10 10 CDCEHN CN1C[C@H](NCc2ccc3c(c2)CCO3)CCC1=O ZINC000084063088 524025914 /nfs/dbraw/zinc/02/59/14/524025914.db2.gz QGLGQISJTCIVGQ-CYBMUJFWSA-N 0 3 260.337 1.332 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000278990417 524869910 /nfs/dbraw/zinc/86/99/10/524869910.db2.gz ALIGPEIVOPXQDD-YGRLFVJLSA-N 0 3 285.771 1.984 10 10 CDCEHN C[C@H](N[C@@H]1CNOC1)c1cc2c(cc1O)CCCC2 ZINC000925861550 617901697 /nfs/dbraw/zinc/90/16/97/617901697.db2.gz FHXMINNTVBKPNM-GXFFZTMASA-N 0 3 262.353 1.825 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000809778433 1163090349 /nfs/dbraw/zinc/09/03/49/1163090349.db2.gz PRYZWRSDYODWLR-ZDUSSCGKSA-N 0 3 276.311 1.792 10 10 CDCEHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000868366710 1164939274 /nfs/dbraw/zinc/93/92/74/1164939274.db2.gz VMVDXAJUWPGTDP-RYUDHWBXSA-N 0 3 289.379 1.989 10 10 CDCEHN C[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000714251940 909720287 /nfs/dbraw/zinc/72/02/87/909720287.db2.gz PCBNNLNRVGIPRP-UXIGCNINSA-N 0 3 296.436 1.979 10 10 CDCEHN CN(CC(=O)NCc1c(O)cccc1O)C1CCC1 ZINC001178910123 915682855 /nfs/dbraw/zinc/68/28/55/915682855.db2.gz AHZIITYGKRCSKT-UHFFFAOYSA-N 0 3 264.325 1.198 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000802310766 936035953 /nfs/dbraw/zinc/03/59/53/936035953.db2.gz VYIXYZHNQVHVBZ-WCABBAIRSA-N 0 3 269.316 1.677 10 10 CDCEHN CN(C)c1ccc(CN2CCNC(=O)CC2(C)C)cc1 ZINC001333719448 953996606 /nfs/dbraw/zinc/99/66/06/953996606.db2.gz NOBCBXMPNZDKDV-UHFFFAOYSA-N 0 3 275.396 1.853 10 10 CDCEHN CCCN1CCCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001348045996 965800696 /nfs/dbraw/zinc/80/06/96/965800696.db2.gz GLPMDCHUNHSCMT-CYBMUJFWSA-N 0 3 292.379 1.979 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000093739953 342426003 /nfs/dbraw/zinc/42/60/03/342426003.db2.gz CWFQUMDKPYZYKH-INIZCTEOSA-N 0 3 292.423 1.898 10 10 CDCEHN CC[C@H](O)CN1CCN(Cc2cccc(OC)c2O)CC1 ZINC000123571934 360298115 /nfs/dbraw/zinc/29/81/15/360298115.db2.gz LPWKNCWGMJGGBS-AWEZNQCLSA-N 0 3 294.395 1.289 10 10 CDCEHN Cc1cccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295160562 371137903 /nfs/dbraw/zinc/13/79/03/371137903.db2.gz SDLTVTDYUUHILC-GJZGRUSLSA-N 0 3 276.380 1.606 10 10 CDCEHN Cc1cccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000295160562 371137907 /nfs/dbraw/zinc/13/79/07/371137907.db2.gz SDLTVTDYUUHILC-GJZGRUSLSA-N 0 3 276.380 1.606 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([O-])c1O ZINC000245598480 376109048 /nfs/dbraw/zinc/10/90/48/376109048.db2.gz JHSPYYGCVLDUIX-VXGBXAGGSA-N 0 3 290.363 1.715 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([O-])c1O ZINC000245598480 376109060 /nfs/dbraw/zinc/10/90/60/376109060.db2.gz JHSPYYGCVLDUIX-VXGBXAGGSA-N 0 3 290.363 1.715 10 10 CDCEHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1[O-] ZINC000362235927 391716440 /nfs/dbraw/zinc/71/64/40/391716440.db2.gz LNPNNQRBULQQGP-YUTCNCBUSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000362235927 391716441 /nfs/dbraw/zinc/71/64/41/391716441.db2.gz LNPNNQRBULQQGP-YUTCNCBUSA-N 0 3 274.364 1.800 10 10 CDCEHN O=C1N=C(N2CCNCC2)S/C1=C/C=C/c1ccco1 ZINC000020413968 171183030 /nfs/dbraw/zinc/18/30/30/171183030.db2.gz KUSWTLWQCONYSL-MPQOSVQESA-N 0 3 289.360 1.711 10 10 CDCEHN Cc1ccc(O)c([C@@H](C)N(C)CC(=O)N2CCNCC2)c1 ZINC000038031125 174025142 /nfs/dbraw/zinc/02/51/42/174025142.db2.gz POZBIAGFQAKNFD-CYBMUJFWSA-N 0 3 291.395 1.125 10 10 CDCEHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183618118 261982641 /nfs/dbraw/zinc/98/26/41/261982641.db2.gz PGADADAKCHQXEO-RYUDHWBXSA-N 0 3 277.368 1.847 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000283814557 263084294 /nfs/dbraw/zinc/08/42/94/263084294.db2.gz BYQCHBJAUALLJJ-UKRRQHHQSA-N 0 3 281.396 1.948 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000283814555 263084413 /nfs/dbraw/zinc/08/44/13/263084413.db2.gz BYQCHBJAUALLJJ-HIFRSBDPSA-N 0 3 281.396 1.948 10 10 CDCEHN COc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000363264072 267082869 /nfs/dbraw/zinc/08/28/69/267082869.db2.gz HTOXEAUYYVSIGK-CYZMBNFOSA-N 0 3 290.363 1.500 10 10 CDCEHN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000289969902 523890866 /nfs/dbraw/zinc/89/08/66/523890866.db2.gz YWFLTYIJESUQIY-RKDXNWHRSA-N 0 3 253.298 1.634 10 10 CDCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1C ZINC000278735020 525318943 /nfs/dbraw/zinc/31/89/43/525318943.db2.gz LNXYJDBEIGSGRL-INIZCTEOSA-N 0 3 274.364 1.721 10 10 CDCEHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1C ZINC000278735020 525318958 /nfs/dbraw/zinc/31/89/58/525318958.db2.gz LNXYJDBEIGSGRL-INIZCTEOSA-N 0 3 274.364 1.721 10 10 CDCEHN Cc1cc(Cl)cc([C@H](C)N[C@@H]2CNOC2)c1O ZINC000925860654 617899676 /nfs/dbraw/zinc/89/96/76/617899676.db2.gz TZBFCZXQQZGDOI-WCBMZHEXSA-N 0 3 256.733 1.908 10 10 CDCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CNOC2)c1[O-] ZINC000925860654 617899679 /nfs/dbraw/zinc/89/96/79/617899679.db2.gz TZBFCZXQQZGDOI-WCBMZHEXSA-N 0 3 256.733 1.908 10 10 CDCEHN CCN(CC)CC(=O)NCc1c(O)cccc1F ZINC000928705222 620504180 /nfs/dbraw/zinc/50/41/80/620504180.db2.gz HSQZGTVKKXOOJK-UHFFFAOYSA-N 0 3 254.305 1.489 10 10 CDCEHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000925319982 621324038 /nfs/dbraw/zinc/32/40/38/621324038.db2.gz WBTWFHHDYXSKDO-YPMHNXCESA-N 0 3 277.368 1.626 10 10 CDCEHN CO[C@]1(C[NH2+][C@@H](C)c2ccccc2[O-])CCS(=O)(=O)C1 ZINC000721220769 677852910 /nfs/dbraw/zinc/85/29/10/677852910.db2.gz ZZYUBNYONFZIOM-FZMZJTMJSA-N 0 3 299.392 1.247 10 10 CDCEHN CCOc1cccc(CN2CC(CCO)C2)c1O ZINC000839141333 678275576 /nfs/dbraw/zinc/27/55/76/678275576.db2.gz WCSWOZXTTFVNAD-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN [O-]c1ccc(Cl)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925690 678542845 /nfs/dbraw/zinc/54/28/45/678542845.db2.gz CEDBIUGSLMMTCK-QWHCGFSZSA-N 0 3 282.771 1.296 10 10 CDCEHN [O-]c1ccc(Cl)cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925690 678542850 /nfs/dbraw/zinc/54/28/50/678542850.db2.gz CEDBIUGSLMMTCK-QWHCGFSZSA-N 0 3 282.771 1.296 10 10 CDCEHN C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000839631409 678986885 /nfs/dbraw/zinc/98/68/85/678986885.db2.gz HUDXRFXDMJOXMG-VIFPVBQESA-N 0 3 254.355 1.620 10 10 CDCEHN CN(C)C[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000839631409 678986889 /nfs/dbraw/zinc/98/68/89/678986889.db2.gz HUDXRFXDMJOXMG-VIFPVBQESA-N 0 3 254.355 1.620 10 10 CDCEHN COc1ccc(O)c(CN[C@@H](C)c2ccnn2C)c1 ZINC000192997334 679112728 /nfs/dbraw/zinc/11/27/28/679112728.db2.gz OYSZARPUIJWTJD-JTQLQIEISA-N 0 3 261.325 1.985 10 10 CDCEHN CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000714245750 679120499 /nfs/dbraw/zinc/12/04/99/679120499.db2.gz VMGKGNFHIIOIRJ-IJLUTSLNSA-N 0 3 281.377 1.545 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CCC[C@](O)(CO)C2)cc1 ZINC000839156688 679137349 /nfs/dbraw/zinc/13/73/49/679137349.db2.gz LUZUWQRGXFCDBV-MAVJXHJTSA-N 0 3 290.407 1.585 10 10 CDCEHN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000702513172 679567002 /nfs/dbraw/zinc/56/70/02/679567002.db2.gz FBSRWWLCTMLVKH-SMDDNHRTSA-N 0 3 253.342 1.749 10 10 CDCEHN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(O)c3[O-])[C@H]2C1 ZINC001529326564 969031000 /nfs/dbraw/zinc/03/10/00/969031000.db2.gz AHMQREBBRSZKRZ-ZMLRMANQSA-N 0 3 276.336 1.168 10 10 CDCEHN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(O)c3[O-])[C@H]2C1 ZINC001529326564 969031009 /nfs/dbraw/zinc/03/10/09/969031009.db2.gz AHMQREBBRSZKRZ-ZMLRMANQSA-N 0 3 276.336 1.168 10 10 CDCEHN Cc1cccc(C[NH2+]CCN2CCOCC2)c1[O-] ZINC000083382832 178383986 /nfs/dbraw/zinc/38/39/86/178383986.db2.gz CWGDBQMSGLATMF-UHFFFAOYSA-N 0 3 250.342 1.122 10 10 CDCEHN COc1ccc(CN[C@H](C(N)=O)C(C)C)cc1C ZINC000223964166 539087835 /nfs/dbraw/zinc/08/78/35/539087835.db2.gz CQRKFHWLYIJJAE-ZDUSSCGKSA-N 0 3 250.342 1.603 10 10 CDCEHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181034353 357305541 /nfs/dbraw/zinc/30/55/41/357305541.db2.gz FERDBLIZJWDGLD-FVOPLDGLSA-N 0 3 276.336 1.274 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C1(CCO)CCCC1)OCO2 ZINC000285580143 368643933 /nfs/dbraw/zinc/64/39/33/368643933.db2.gz TZIGBSLZQYWFQV-UHFFFAOYSA-N 0 3 279.336 1.906 10 10 CDCEHN Oc1cc2c(cc1CN1CCC[C@H]3COC[C@H]31)OCO2 ZINC000375704531 370922984 /nfs/dbraw/zinc/92/29/84/370922984.db2.gz MIDYLTBTLMGZBI-CMPLNLGQSA-N 0 3 277.320 1.732 10 10 CDCEHN COCCN1CCN(Cc2cccc(OC)c2O)C[C@@H]1C ZINC000120831454 390876574 /nfs/dbraw/zinc/87/65/74/390876574.db2.gz FXNICNVDNNOGIE-ZDUSSCGKSA-N 0 3 294.395 1.553 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c([O-])c1 ZINC000527957267 393005071 /nfs/dbraw/zinc/00/50/71/393005071.db2.gz QWNSOPSXNWLWPO-CQDKDKBSSA-N 0 3 265.353 1.891 10 10 CDCEHN C[C@H](CC(=O)N(C)C)NCc1ccc2c(c1)CCN2C ZINC000312964670 260224975 /nfs/dbraw/zinc/22/49/75/260224975.db2.gz UNOMNWKCKGEEHZ-GFCCVEGCSA-N 0 3 275.396 1.635 10 10 CDCEHN CCOc1cccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000279393924 521345137 /nfs/dbraw/zinc/34/51/37/521345137.db2.gz KNNKDKRISRDLBG-INIZCTEOSA-N 0 3 290.363 1.503 10 10 CDCEHN CCOc1cccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000279393924 521345127 /nfs/dbraw/zinc/34/51/27/521345127.db2.gz KNNKDKRISRDLBG-INIZCTEOSA-N 0 3 290.363 1.503 10 10 CDCEHN COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000089151185 526020625 /nfs/dbraw/zinc/02/06/25/526020625.db2.gz HRJQQMMOROSVQG-JQWIXIFHSA-N 0 3 251.326 1.651 10 10 CDCEHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCO1 ZINC000760541911 576492470 /nfs/dbraw/zinc/49/24/70/576492470.db2.gz UDDFORXWQWLNOV-BXUZGUMPSA-N 0 3 279.336 1.429 10 10 CDCEHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CCCO1 ZINC000760541911 576492473 /nfs/dbraw/zinc/49/24/73/576492473.db2.gz UDDFORXWQWLNOV-BXUZGUMPSA-N 0 3 279.336 1.429 10 10 CDCEHN COc1cc(C)cc(CN2CCN(CCO)C[C@H]2C)c1O ZINC000894956229 619159226 /nfs/dbraw/zinc/15/92/26/619159226.db2.gz JMCFSUHZYIIKMG-CYBMUJFWSA-N 0 3 294.395 1.208 10 10 CDCEHN COC(=O)[C@@]1(OC)CCN(Cc2c(O)cccc2OC)C1 ZINC000862474218 679702929 /nfs/dbraw/zinc/70/29/29/679702929.db2.gz OBZMGYXKALHYJY-OAHLLOKOSA-N 0 3 295.335 1.165 10 10 CDCEHN COC(=O)[C@@]1(OC)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000862474218 679702933 /nfs/dbraw/zinc/70/29/33/679702933.db2.gz OBZMGYXKALHYJY-OAHLLOKOSA-N 0 3 295.335 1.165 10 10 CDCEHN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000862474218 679702935 /nfs/dbraw/zinc/70/29/35/679702935.db2.gz OBZMGYXKALHYJY-OAHLLOKOSA-N 0 3 295.335 1.165 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(F)ccc1[O-] ZINC000927146497 679788999 /nfs/dbraw/zinc/78/89/99/679788999.db2.gz OLBVTDZYLPXSEY-GXSJLCMTSA-N 0 3 290.342 1.868 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000925344675 679810160 /nfs/dbraw/zinc/81/01/60/679810160.db2.gz LZKDELMESIDNJL-DGCLKSJQSA-N 0 3 277.368 1.592 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(CCO)CCOC1)CC2 ZINC000834625170 679862102 /nfs/dbraw/zinc/86/21/02/679862102.db2.gz UYKSOATZFMRBNS-CZUORRHYSA-N 0 3 277.364 1.758 10 10 CDCEHN C[NH+](C)C[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000839631407 681651318 /nfs/dbraw/zinc/65/13/18/681651318.db2.gz HUDXRFXDMJOXMG-SECBINFHSA-N 0 3 254.355 1.620 10 10 CDCEHN CN(C)C[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000839631407 681651333 /nfs/dbraw/zinc/65/13/33/681651333.db2.gz HUDXRFXDMJOXMG-SECBINFHSA-N 0 3 254.355 1.620 10 10 CDCEHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1O ZINC000868366709 681697875 /nfs/dbraw/zinc/69/78/75/681697875.db2.gz VMVDXAJUWPGTDP-NWDGAFQWSA-N 0 3 289.379 1.989 10 10 CDCEHN CON1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000931554000 681967175 /nfs/dbraw/zinc/96/71/75/681967175.db2.gz JRVKOAMAXQWLOW-ONGXEEELSA-N 0 3 250.298 1.205 10 10 CDCEHN CN(C)c1cc(F)c(CNCC[C@H]2CNC(=O)C2)cc1F ZINC000922778516 682516324 /nfs/dbraw/zinc/51/63/24/682516324.db2.gz FBHWVYZATVTQHS-SNVBAGLBSA-N 0 3 297.349 1.647 10 10 CDCEHN COc1ccc(N2CCN(C[C@@H](C)CO)CC2)cc1 ZINC000161830046 682548762 /nfs/dbraw/zinc/54/87/62/682548762.db2.gz IUTRSYCIDQMYHF-CYBMUJFWSA-N 0 3 264.369 1.446 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000126671513 682809093 /nfs/dbraw/zinc/80/90/93/682809093.db2.gz DSUQBEHRYGUBRU-QWRGUYRKSA-N 0 3 269.366 1.620 10 10 CDCEHN CN1C(=O)CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000312836539 682859734 /nfs/dbraw/zinc/85/97/34/682859734.db2.gz OJZBVNDBRLGCKH-QWRGUYRKSA-N 0 3 274.320 1.117 10 10 CDCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCNC2=O)c1[O-] ZINC000850481100 683360567 /nfs/dbraw/zinc/36/05/67/683360567.db2.gz HXTKJVUVQIGRMW-KWQFWETISA-N 0 3 268.744 1.893 10 10 CDCEHN C[C@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC[N@@H+]1C ZINC000928708236 683403682 /nfs/dbraw/zinc/40/36/82/683403682.db2.gz JEOFOVDCKCSQHA-QWRGUYRKSA-N 0 3 280.343 1.878 10 10 CDCEHN C[C@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC[N@H+]1C ZINC000928708236 683403698 /nfs/dbraw/zinc/40/36/98/683403698.db2.gz JEOFOVDCKCSQHA-QWRGUYRKSA-N 0 3 280.343 1.878 10 10 CDCEHN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000831905721 683517241 /nfs/dbraw/zinc/51/72/41/683517241.db2.gz OHJCKDDUHMURAV-HNNXBMFYSA-N 0 3 273.380 1.506 10 10 CDCEHN CCS(=O)(=O)NCCNCc1ccc(OC)c(C)c1 ZINC000066875889 1171414806 /nfs/dbraw/zinc/41/48/06/1171414806.db2.gz QWHCYNWAKALTIS-UHFFFAOYSA-N 0 3 286.397 1.033 10 10 CDCEHN C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1ccccc1[O-] ZINC001460639398 969528429 /nfs/dbraw/zinc/52/84/29/969528429.db2.gz SCHZWVZZHNCBSN-VIFPVBQESA-N 0 3 265.313 1.018 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000192071235 358173648 /nfs/dbraw/zinc/17/36/48/358173648.db2.gz WSWXZSMHGKHZAJ-GXFFZTMASA-N 0 3 251.326 1.915 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000374159270 391151504 /nfs/dbraw/zinc/15/15/04/391151504.db2.gz LYKWZGNSHNUHKX-YUTCNCBUSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000374159270 391151505 /nfs/dbraw/zinc/15/15/05/391151505.db2.gz LYKWZGNSHNUHKX-YUTCNCBUSA-N 0 3 274.364 1.800 10 10 CDCEHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000163136966 392941902 /nfs/dbraw/zinc/94/19/02/392941902.db2.gz FQVROXFUDDEIDY-UKRRQHHQSA-N 0 3 263.337 1.820 10 10 CDCEHN COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000279664071 522684919 /nfs/dbraw/zinc/68/49/19/522684919.db2.gz GSJZHVBTBNNFFU-NSHDSACASA-N 0 3 259.733 1.451 10 10 CDCEHN C[C@@H]1Cc2cc(N3CCNCC3)ccc2N(C)C1=O ZINC000071476984 279012374 /nfs/dbraw/zinc/01/23/74/279012374.db2.gz UHEPMITZEZXYIN-LLVKDONJSA-N 0 3 259.353 1.251 10 10 CDCEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000193127867 288310235 /nfs/dbraw/zinc/31/02/35/288310235.db2.gz BLEKUNSKZAJKPW-NWDGAFQWSA-N 0 3 290.363 1.797 10 10 CDCEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000193127867 288310239 /nfs/dbraw/zinc/31/02/39/288310239.db2.gz BLEKUNSKZAJKPW-NWDGAFQWSA-N 0 3 290.363 1.797 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([O-])c1O ZINC000179498305 329209103 /nfs/dbraw/zinc/20/91/03/329209103.db2.gz JHSPYYGCVLDUIX-NWDGAFQWSA-N 0 3 290.363 1.715 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([O-])c1O ZINC000179498305 329209104 /nfs/dbraw/zinc/20/91/04/329209104.db2.gz JHSPYYGCVLDUIX-NWDGAFQWSA-N 0 3 290.363 1.715 10 10 CDCEHN [O-]c1ccccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000179564863 329209705 /nfs/dbraw/zinc/20/97/05/329209705.db2.gz KUKSHTWHUUWJQT-UHFFFAOYSA-N 0 3 258.325 1.821 10 10 CDCEHN COCCNCc1ccc(N(C)[C@@H](C)COC)cc1 ZINC000062737353 523952154 /nfs/dbraw/zinc/95/21/54/523952154.db2.gz UZSJAODIQASCIW-ZDUSSCGKSA-N 0 3 266.385 1.894 10 10 CDCEHN CNC(=O)[C@H](C)[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000049095634 524099443 /nfs/dbraw/zinc/09/94/43/524099443.db2.gz ZZJUTKBYWQWLNL-JTQLQIEISA-N 0 3 258.321 1.770 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000078638605 525349721 /nfs/dbraw/zinc/34/97/21/525349721.db2.gz GXZWQDHYZONNFM-CYBMUJFWSA-N 0 3 250.342 1.121 10 10 CDCEHN C[C@H](NCC[S@](C)=O)c1ccc(N2CCOCC2)cc1 ZINC000766050141 576074377 /nfs/dbraw/zinc/07/43/77/576074377.db2.gz QKWSNWDHBTUZKZ-RBZFPXEDSA-N 0 3 296.436 1.552 10 10 CDCEHN CC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)OC ZINC000895124752 619320019 /nfs/dbraw/zinc/32/00/19/619320019.db2.gz YOBKDISXPKTINB-SECBINFHSA-N 0 3 255.289 1.820 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000895652979 619789720 /nfs/dbraw/zinc/78/97/20/619789720.db2.gz KLPWACKLPLLZHU-BVWQNDCPSA-N 0 3 258.365 1.832 10 10 CDCEHN Cc1ccc(C[NH+]2CCC(O)(COCCO)CC2)c([O-])c1 ZINC000895829736 619865749 /nfs/dbraw/zinc/86/57/49/619865749.db2.gz SYMFANKUYKRMOJ-UHFFFAOYSA-N 0 3 295.379 1.036 10 10 CDCEHN O=C1C[C@@H](CC[NH2+][C@@H]2CCc3cccc([O-])c32)CN1 ZINC000926980342 621640667 /nfs/dbraw/zinc/64/06/67/621640667.db2.gz PGFIGQCLCUCTAD-ZYHUDNBSSA-N 0 3 260.337 1.495 10 10 CDCEHN Cn1nnc2c1C[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000927141484 621834995 /nfs/dbraw/zinc/83/49/95/621834995.db2.gz AVHIFUSYQQSBQB-YPMHNXCESA-N 0 3 284.363 1.655 10 10 CDCEHN C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000846190018 684328634 /nfs/dbraw/zinc/32/86/34/684328634.db2.gz ONBLXHMTYRUYBT-WYOJIJJFSA-N 0 3 278.327 1.933 10 10 CDCEHN COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862475304 684397308 /nfs/dbraw/zinc/39/73/08/684397308.db2.gz GSUJIQURFLDRCW-CQSZACIVSA-N 0 3 283.299 1.295 10 10 CDCEHN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862475304 684397313 /nfs/dbraw/zinc/39/73/13/684397313.db2.gz GSUJIQURFLDRCW-CQSZACIVSA-N 0 3 283.299 1.295 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000858279076 684480802 /nfs/dbraw/zinc/48/08/02/684480802.db2.gz PURAZAYXJRUYMQ-ZDUSSCGKSA-N 0 3 277.368 1.594 10 10 CDCEHN Cc1cc(CN2CCN(CCO)C[C@H]2C)ccc1N(C)C ZINC000832783221 684615411 /nfs/dbraw/zinc/61/54/11/684615411.db2.gz PFGUIWNBVUDFPE-OAHLLOKOSA-N 0 3 291.439 1.559 10 10 CDCEHN [O-]c1cccc(Cl)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926565 684621319 /nfs/dbraw/zinc/62/13/19/684621319.db2.gz SSJFLXWBOAEIST-WDEREUQCSA-N 0 3 282.771 1.296 10 10 CDCEHN [O-]c1cccc(Cl)c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926565 684621327 /nfs/dbraw/zinc/62/13/27/684621327.db2.gz SSJFLXWBOAEIST-WDEREUQCSA-N 0 3 282.771 1.296 10 10 CDCEHN Cc1cc(C)c(O)c(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000844745038 684738797 /nfs/dbraw/zinc/73/87/97/684738797.db2.gz VSUCWHWMILGEII-ZJNRKIDTSA-N 0 3 265.378 1.714 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CCC(CO)(CO)C2)cc1 ZINC000827474976 684814685 /nfs/dbraw/zinc/81/46/85/684814685.db2.gz QOPYLPFIVWTJIN-ARJAWSKDSA-N 0 3 290.407 1.443 10 10 CDCEHN CCOc1ccc(C[NH+]2CC(CCO)C2)c([O-])c1 ZINC000839140760 687013149 /nfs/dbraw/zinc/01/31/49/687013149.db2.gz PFMZASIWEIDICD-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN CCOc1ccc(CN2CC(CCO)C2)c(O)c1 ZINC000839140760 687013153 /nfs/dbraw/zinc/01/31/53/687013153.db2.gz PFMZASIWEIDICD-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN COC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776174776 687133785 /nfs/dbraw/zinc/13/37/85/687133785.db2.gz SSBSOTNXJMJTGJ-CYBMUJFWSA-N 0 3 273.760 1.841 10 10 CDCEHN Cc1ccc(O)c(CN2CCN(C[C@@H](C)O)CC2)c1 ZINC000188734723 687318939 /nfs/dbraw/zinc/31/89/39/687318939.db2.gz RBBRZZQJBFEOGM-CYBMUJFWSA-N 0 3 264.369 1.199 10 10 CDCEHN C[C@@H]([NH2+]CC(=O)Nc1cccnn1)c1ccccc1[O-] ZINC001473724174 970838532 /nfs/dbraw/zinc/83/85/32/970838532.db2.gz QKLBQKBVJGMENM-SNVBAGLBSA-N 0 3 272.308 1.472 10 10 CDCEHN C[C@@H](NCC(=O)Nc1cccnn1)c1ccccc1O ZINC001473724174 970838536 /nfs/dbraw/zinc/83/85/36/970838536.db2.gz QKLBQKBVJGMENM-SNVBAGLBSA-N 0 3 272.308 1.472 10 10 CDCEHN C[C@H]([NH2+]CCOCCCO)c1cc(F)ccc1[O-] ZINC001327891191 955097713 /nfs/dbraw/zinc/09/77/13/955097713.db2.gz RFNCLRCKWCVWCM-JTQLQIEISA-N 0 3 257.305 1.581 10 10 CDCEHN NCC[C@@H]([NH3+])c1cc(Br)cc(F)c1[O-] ZINC000306722516 362285023 /nfs/dbraw/zinc/28/50/23/362285023.db2.gz IXPZCRBPAXWFDY-MRVPVSSYSA-N 0 3 263.110 1.642 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nc(C)no2)c1 ZINC000185972145 358790545 /nfs/dbraw/zinc/79/05/45/358790545.db2.gz HDUULLUEGKVIHT-SECBINFHSA-N 0 3 277.324 1.986 10 10 CDCEHN Cc1cccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000271696085 364993845 /nfs/dbraw/zinc/99/38/45/364993845.db2.gz AXNWRQWMSFDLDQ-LBPRGKRZSA-N 0 3 298.408 1.201 10 10 CDCEHN Cc1cccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1[O-] ZINC000271696085 364993849 /nfs/dbraw/zinc/99/38/49/364993849.db2.gz AXNWRQWMSFDLDQ-LBPRGKRZSA-N 0 3 298.408 1.201 10 10 CDCEHN Cc1ccc([C@@H](C)N[C@H]2CCCNC2=O)c(O)c1C ZINC000296307033 378725251 /nfs/dbraw/zinc/72/52/51/378725251.db2.gz GETBNALZVNFTEC-YPMHNXCESA-N 0 3 262.353 1.938 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c([O-])c1C ZINC000296307033 378725254 /nfs/dbraw/zinc/72/52/54/378725254.db2.gz GETBNALZVNFTEC-YPMHNXCESA-N 0 3 262.353 1.938 10 10 CDCEHN COCCN1CCN(Cc2cc(C)ccc2O)C[C@H]1C ZINC000120841284 390876587 /nfs/dbraw/zinc/87/65/87/390876587.db2.gz HFQSPJRPIHHUNQ-CQSZACIVSA-N 0 3 278.396 1.853 10 10 CDCEHN COc1ccc([C@@H](C)[NH2+]CCOCCO)c([O-])c1 ZINC000020199274 171062984 /nfs/dbraw/zinc/06/29/84/171062984.db2.gz MERNWQLEIAYBJR-SNVBAGLBSA-N 0 3 255.314 1.060 10 10 CDCEHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000187123716 262124961 /nfs/dbraw/zinc/12/49/61/262124961.db2.gz DVGQIUOVDUWBCW-GHMZBOCLSA-N 0 3 278.352 1.653 10 10 CDCEHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000187123716 262124963 /nfs/dbraw/zinc/12/49/63/262124963.db2.gz DVGQIUOVDUWBCW-GHMZBOCLSA-N 0 3 278.352 1.653 10 10 CDCEHN CC(C)NC(=O)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134491776 264511604 /nfs/dbraw/zinc/51/16/04/264511604.db2.gz JLFKHCPTAOJRBG-UHFFFAOYSA-N 0 3 280.324 1.125 10 10 CDCEHN CCN(CC)c1ccc(CN[C@H]2CCCNC2=O)cc1 ZINC000050394751 520911327 /nfs/dbraw/zinc/91/13/27/520911327.db2.gz DAIBGNJLPOGGOS-HNNXBMFYSA-N 0 3 275.396 1.901 10 10 CDCEHN CCN1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879312 521639110 /nfs/dbraw/zinc/63/91/10/521639110.db2.gz AAPQLTXJDFQDJK-GFCCVEGCSA-N 0 3 278.352 1.695 10 10 CDCEHN COc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000089151187 526018728 /nfs/dbraw/zinc/01/87/28/526018728.db2.gz HRJQQMMOROSVQG-CMPLNLGQSA-N 0 3 251.326 1.651 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+]CCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000756674625 576999747 /nfs/dbraw/zinc/99/97/47/576999747.db2.gz ABVQRTXZMNMJPO-SCZZXKLOSA-N 0 3 291.330 1.435 10 10 CDCEHN C[C@H]1C[C@@H](N[C@@H]2CNOC2)c2c1c(F)ccc2O ZINC000925862875 617904433 /nfs/dbraw/zinc/90/44/33/617904433.db2.gz ZEFBLQYKTCBNAU-QXFUBDJGSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@H]1C[C@@H]([NH2+][C@@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925862875 617904442 /nfs/dbraw/zinc/90/44/42/617904442.db2.gz ZEFBLQYKTCBNAU-QXFUBDJGSA-N 0 3 252.289 1.573 10 10 CDCEHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000898833070 621892106 /nfs/dbraw/zinc/89/21/06/621892106.db2.gz PQAMKQLXUCEMCB-STQMWFEESA-N 0 3 290.363 1.700 10 10 CDCEHN CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508347 693984554 /nfs/dbraw/zinc/98/45/54/693984554.db2.gz MUHYQDRNPUJBDG-GOEBONIOSA-N 0 3 295.379 1.601 10 10 CDCEHN COC(OC)[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000079608481 694000195 /nfs/dbraw/zinc/00/01/95/694000195.db2.gz YVTVZGSKYSTRNI-JTQLQIEISA-N 0 3 251.326 1.719 10 10 CDCEHN Cc1cc([O-])c(CN2CCO[C@H](C[NH3+])C2)c(Cl)c1 ZINC000843066610 688217511 /nfs/dbraw/zinc/21/75/11/688217511.db2.gz YVRPXBCNMDSCDL-SNVBAGLBSA-N 0 3 270.760 1.514 10 10 CDCEHN C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1[O-] ZINC000866570114 688878501 /nfs/dbraw/zinc/87/85/01/688878501.db2.gz HKCWFROYWOIMSK-JTQLQIEISA-N 0 3 286.397 1.358 10 10 CDCEHN CCOc1ccc(CNC2(C(=O)N(C)C)CC2)c(O)c1 ZINC000840958371 694522932 /nfs/dbraw/zinc/52/29/32/694522932.db2.gz QDAMUEYOIUOWJS-UHFFFAOYSA-N 0 3 278.352 1.501 10 10 CDCEHN CN(C)c1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000705563181 692485858 /nfs/dbraw/zinc/48/58/58/692485858.db2.gz SMSLBUJWRRMMRI-JTQLQIEISA-N 0 3 275.274 1.258 10 10 CDCEHN C[C@@H](NC[C@@H]1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000126702680 692531406 /nfs/dbraw/zinc/53/14/06/692531406.db2.gz ZLGVDLGZGNHVHL-DOMZBBRYSA-N 0 3 296.436 1.980 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCOC[C@H]2O)c1[O-] ZINC000706733398 692761043 /nfs/dbraw/zinc/76/10/43/692761043.db2.gz HCLBCEQQEJZDFO-WDEREUQCSA-N 0 3 287.743 1.294 10 10 CDCEHN C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000776335154 693204169 /nfs/dbraw/zinc/20/41/69/693204169.db2.gz BTQGFRRNURXZDU-LLVKDONJSA-N 0 3 278.352 1.702 10 10 CDCEHN C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000776335154 693204174 /nfs/dbraw/zinc/20/41/74/693204174.db2.gz BTQGFRRNURXZDU-LLVKDONJSA-N 0 3 278.352 1.702 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H](O)Cn2ccnn2)c1[O-] ZINC000839179347 694714622 /nfs/dbraw/zinc/71/46/22/694714622.db2.gz LWVYOGLFUUCEFR-LBPRGKRZSA-N 0 3 296.758 1.096 10 10 CDCEHN CCc1cccc(CN2CCN(C[C@@H](C)O)CC2)c1O ZINC000848885949 723179530 /nfs/dbraw/zinc/17/95/30/723179530.db2.gz PEVAXGUKZVLGIB-CYBMUJFWSA-N 0 3 278.396 1.453 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000862483918 723264301 /nfs/dbraw/zinc/26/43/01/723264301.db2.gz YAXSCHDEJLFTAT-GVJMRKKJSA-N 0 3 284.743 1.408 10 10 CDCEHN C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000786945402 723437131 /nfs/dbraw/zinc/43/71/31/723437131.db2.gz NIJWECHSFIKVFV-SECBINFHSA-N 0 3 287.356 1.617 10 10 CDCEHN C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(F)cc1[O-] ZINC000863541767 723127736 /nfs/dbraw/zinc/12/77/36/723127736.db2.gz PELHBNRJWCRIIU-SNVBAGLBSA-N 0 3 268.332 1.690 10 10 CDCEHN CC[C@H](C(=O)NCc1ccc2cccnc2c1O)N(C)C ZINC000862027545 929370130 /nfs/dbraw/zinc/37/01/30/929370130.db2.gz WKNPYJAUDBTWCI-CYBMUJFWSA-N 0 3 287.363 1.897 10 10 CDCEHN CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000825068253 931490271 /nfs/dbraw/zinc/49/02/71/931490271.db2.gz LCNHJXVNWHJJGD-SECBINFHSA-N 0 3 270.760 1.968 10 10 CDCEHN Cc1cc(CN2CCN(C)[C@H](CO)C2)ccc1N(C)C ZINC000931398704 933554717 /nfs/dbraw/zinc/55/47/17/933554717.db2.gz DJQNKTBDASPAKN-HNNXBMFYSA-N 0 3 277.412 1.169 10 10 CDCEHN OCC[C@H]1CSCCN1Cc1cc(F)ccc1O ZINC000779028756 934353356 /nfs/dbraw/zinc/35/33/56/934353356.db2.gz KUQAPOYMNUTWDF-LBPRGKRZSA-N 0 3 271.357 1.831 10 10 CDCEHN CCc1nc(CNCc2cc(OC)ccc2O)n[nH]1 ZINC000392447506 944396577 /nfs/dbraw/zinc/39/65/77/944396577.db2.gz FQXJSKZSPVYJCB-UHFFFAOYSA-N 0 3 262.313 1.371 10 10 CDCEHN C[C@@H]1CCN(CC(=O)NCc2ccc(O)cc2O)C1 ZINC001299574472 945558668 /nfs/dbraw/zinc/55/86/68/945558668.db2.gz RCRTZSWBYRVBTJ-SNVBAGLBSA-N 0 3 264.325 1.056 10 10 CDCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183618180 391267007 /nfs/dbraw/zinc/26/70/07/391267007.db2.gz PGADADAKCHQXEO-VXGBXAGGSA-N 0 3 277.368 1.847 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c([O-])c1 ZINC000527957272 393005664 /nfs/dbraw/zinc/00/56/64/393005664.db2.gz QWNSOPSXNWLWPO-TUKIKUTGSA-N 0 3 265.353 1.891 10 10 CDCEHN COc1c(CNCc2ccccc2O)c(C)nn1C ZINC000134235777 393246309 /nfs/dbraw/zinc/24/63/09/393246309.db2.gz MYUWWELYTISMTB-UHFFFAOYSA-N 0 3 261.325 1.733 10 10 CDCEHN CN1CCC(NC(=O)CCc2ccc(N)cc2)CC1 ZINC000037267921 173078551 /nfs/dbraw/zinc/07/85/51/173078551.db2.gz AVOVLTIXXKJAQV-UHFFFAOYSA-N 0 3 261.369 1.412 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000051994803 260209999 /nfs/dbraw/zinc/20/99/99/260209999.db2.gz OFUUQZOZBPWCMX-OCCSQVGLSA-N 0 3 251.326 1.794 10 10 CDCEHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000186111207 262080163 /nfs/dbraw/zinc/08/01/63/262080163.db2.gz RQUUDOWWVSSMRC-JQWIXIFHSA-N 0 3 295.358 1.986 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091666739 330401929 /nfs/dbraw/zinc/40/19/29/330401929.db2.gz ZTFMMQODFNDFOR-NWDGAFQWSA-N 0 3 250.342 1.373 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@H](C)[C@@H](C)OC)cc1OC ZINC000290904337 522781067 /nfs/dbraw/zinc/78/10/67/522781067.db2.gz MKILXJQYYSDBNT-NXEZZACHSA-N 0 3 269.341 1.922 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000089165388 524752441 /nfs/dbraw/zinc/75/24/41/524752441.db2.gz DUBBRBLDYIKULG-ZWNOBZJWSA-N 0 3 251.326 1.651 10 10 CDCEHN C[C@H]1CCOCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774661113 575225647 /nfs/dbraw/zinc/22/56/47/575225647.db2.gz ULFCIWUPISHFGV-HZMBPMFUSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@H]1CCOCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774661113 575225648 /nfs/dbraw/zinc/22/56/48/575225648.db2.gz ULFCIWUPISHFGV-HZMBPMFUSA-N 0 3 279.336 1.429 10 10 CDCEHN CCOc1ccc(CN2CCN(C[C@@H](C)O)CC2)c(O)c1 ZINC000769327617 576346276 /nfs/dbraw/zinc/34/62/76/576346276.db2.gz KFMAKUUATYSVGS-CYBMUJFWSA-N 0 3 294.395 1.289 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@H]2CCNC2=O)cc1 ZINC000850344080 695449431 /nfs/dbraw/zinc/44/94/31/695449431.db2.gz WHKVFZPCEHHNFT-XGACYXMMSA-N 0 3 259.353 1.244 10 10 CDCEHN CCON(CC)C(=O)CNCc1cccc(C)c1O ZINC000862452841 695661950 /nfs/dbraw/zinc/66/19/50/695661950.db2.gz OKAZHCQYWGJGMB-UHFFFAOYSA-N 0 3 266.341 1.590 10 10 CDCEHN COc1ccc(O)c(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000827169783 695812707 /nfs/dbraw/zinc/81/27/07/695812707.db2.gz FWSRQRMJOPTHQY-ZYHUDNBSSA-N 0 3 299.392 1.456 10 10 CDCEHN [O-]c1c(Cl)cccc1C[NH2+]CC12CC(C1)CN2 ZINC000853246756 695919928 /nfs/dbraw/zinc/91/99/28/695919928.db2.gz RXSDDLXJHAKQDM-UHFFFAOYSA-N 0 3 252.745 1.887 10 10 CDCEHN COc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000135215881 1162166313 /nfs/dbraw/zinc/16/63/13/1162166313.db2.gz UYKMURRTGMSKHS-PWSUYJOCSA-N 0 3 251.326 1.915 10 10 CDCEHN O=S1(=O)CCC(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000120774180 1164701708 /nfs/dbraw/zinc/70/17/08/1164701708.db2.gz YYWJGVLUJMOLHA-UHFFFAOYSA-N 0 3 269.366 1.307 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1[O-] ZINC000862546557 723748155 /nfs/dbraw/zinc/74/81/55/723748155.db2.gz OGHFBXZYRKFGFW-ZYHUDNBSSA-N 0 3 281.739 1.959 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1[O-] ZINC000862546557 723748156 /nfs/dbraw/zinc/74/81/56/723748156.db2.gz OGHFBXZYRKFGFW-ZYHUDNBSSA-N 0 3 281.739 1.959 10 10 CDCEHN C[C@@H]1CN(CCO)CCN1Cc1cc(Cl)ccc1O ZINC000825338616 723767726 /nfs/dbraw/zinc/76/77/26/723767726.db2.gz RCHWAEXYEYSGHE-LLVKDONJSA-N 0 3 284.787 1.544 10 10 CDCEHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000852414088 723866871 /nfs/dbraw/zinc/86/68/71/723866871.db2.gz IQULJEDXEQRWCC-UONOGXRCSA-N 0 3 278.352 1.173 10 10 CDCEHN CCOc1cccc(CN2CC(C)(C(N)=O)C2)c1O ZINC000843416374 724034016 /nfs/dbraw/zinc/03/40/16/724034016.db2.gz QGIQIADLFBILSQ-UHFFFAOYSA-N 0 3 264.325 1.098 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H](O)C(F)F)CC2 ZINC000716769375 724372082 /nfs/dbraw/zinc/37/20/82/724372082.db2.gz KLXZZPQIQHBAQQ-KOLCDFICSA-N 0 3 257.280 1.985 10 10 CDCEHN Cc1cc([O-])c(CN(CC[NH3+])CCO)c(Cl)c1 ZINC000841057618 724718749 /nfs/dbraw/zinc/71/87/49/724718749.db2.gz AWNONLJPKLETQJ-UHFFFAOYSA-N 0 3 258.749 1.107 10 10 CDCEHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(OC)C2=O)c1 ZINC000930216668 723699609 /nfs/dbraw/zinc/69/96/09/723699609.db2.gz NDWAFHVRCYAPSS-JOYOIKCWSA-N 0 3 280.324 1.214 10 10 CDCEHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000800309321 724138954 /nfs/dbraw/zinc/13/89/54/724138954.db2.gz HQWSUDNEVSVGCX-WCQYABFASA-N 0 3 298.408 1.200 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CCC[C@](CO)(OC)C2)c([O-])c1 ZINC000826951697 725382969 /nfs/dbraw/zinc/38/29/69/725382969.db2.gz BROMEJANLUCUOX-INIZCTEOSA-N 0 3 295.379 1.764 10 10 CDCEHN CCOc1ccc(C[N@H+]2CCC[C@](CO)(OC)C2)c([O-])c1 ZINC000826951697 725382971 /nfs/dbraw/zinc/38/29/71/725382971.db2.gz BROMEJANLUCUOX-INIZCTEOSA-N 0 3 295.379 1.764 10 10 CDCEHN CN(C)c1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577121 725414730 /nfs/dbraw/zinc/41/47/30/725414730.db2.gz AEDSECIIIYXXJA-OAHLLOKOSA-N 0 3 289.379 1.825 10 10 CDCEHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])NCc1ccco1 ZINC000779046930 725643127 /nfs/dbraw/zinc/64/31/27/725643127.db2.gz BSDWHHZKSSJZQR-UHFFFAOYSA-N 0 3 278.283 1.530 10 10 CDCEHN CCCN1CCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001647270622 1168508779 /nfs/dbraw/zinc/50/87/79/1168508779.db2.gz VALZLNYPRZLUEB-GFCCVEGCSA-N 0 3 278.352 1.588 10 10 CDCEHN CC(C)(C)[NH2+]CC(=O)NCc1c([O-])cccc1F ZINC001262209556 946521896 /nfs/dbraw/zinc/52/18/96/946521896.db2.gz QAJNCYNUEOQNGE-UHFFFAOYSA-N 0 3 254.305 1.536 10 10 CDCEHN Cc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000245781397 361917497 /nfs/dbraw/zinc/91/74/97/361917497.db2.gz UIQVWNYHFZANHQ-UONOGXRCSA-N 0 3 278.396 1.588 10 10 CDCEHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H](O)C(F)F ZINC000295121347 199356792 /nfs/dbraw/zinc/35/67/92/199356792.db2.gz WPKOBGMLNPNJEJ-CABZTGNLSA-N 0 3 275.295 1.895 10 10 CDCEHN CCN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000187676235 357793642 /nfs/dbraw/zinc/79/36/42/357793642.db2.gz GDQVGRSASVFBRK-UHFFFAOYSA-N 0 3 270.760 1.922 10 10 CDCEHN COC[C@](C)(CCO)NCc1ccc(N(C)C)cc1 ZINC000267319178 363795447 /nfs/dbraw/zinc/79/54/47/363795447.db2.gz DVTKZKBDJGQSJA-HNNXBMFYSA-N 0 3 266.385 1.630 10 10 CDCEHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271076246 364908840 /nfs/dbraw/zinc/90/88/40/364908840.db2.gz GZKINQBJSBNEHK-GFCCVEGCSA-N 0 3 280.343 1.887 10 10 CDCEHN CCOc1ccc(O)c(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000375298990 370804781 /nfs/dbraw/zinc/80/47/81/370804781.db2.gz FEBNCAKEUPVWTB-AWEZNQCLSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375298990 370804784 /nfs/dbraw/zinc/80/47/84/370804784.db2.gz FEBNCAKEUPVWTB-AWEZNQCLSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375298990 370804787 /nfs/dbraw/zinc/80/47/87/370804787.db2.gz FEBNCAKEUPVWTB-AWEZNQCLSA-N 0 3 263.337 1.748 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(O)cc1[O-] ZINC000038060433 174070931 /nfs/dbraw/zinc/07/09/31/174070931.db2.gz MXGPZCCTJGJCOW-KOLCDFICSA-N 0 3 253.298 1.164 10 10 CDCEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1ccc(N(C)C)cc1 ZINC000038064765 174075396 /nfs/dbraw/zinc/07/53/96/174075396.db2.gz GKBDHPTWXDZGIG-XHDPSFHLSA-N 0 3 263.385 1.841 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000091667033 260266632 /nfs/dbraw/zinc/26/66/32/260266632.db2.gz OAAHJUIPUSSOPU-DGCLKSJQSA-N 0 3 280.368 1.382 10 10 CDCEHN COc1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)c([O-])c1 ZINC000083439625 1173457563 /nfs/dbraw/zinc/45/75/63/1173457563.db2.gz AEBGXEPKXOWYFL-UHFFFAOYSA-N 0 3 260.293 1.379 10 10 CDCEHN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000249291142 334331593 /nfs/dbraw/zinc/33/15/93/334331593.db2.gz KRKFVWAVPJLNSY-MNOVXSKESA-N 0 3 276.336 1.407 10 10 CDCEHN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000249291142 334331595 /nfs/dbraw/zinc/33/15/95/334331595.db2.gz KRKFVWAVPJLNSY-MNOVXSKESA-N 0 3 276.336 1.407 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]CCc1cn[nH]c1)OCO2 ZINC000289695031 526336317 /nfs/dbraw/zinc/33/63/17/526336317.db2.gz DFADOONZOITSKG-UHFFFAOYSA-N 0 3 261.281 1.176 10 10 CDCEHN COCC1(O)CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000758375175 577102650 /nfs/dbraw/zinc/10/26/50/577102650.db2.gz OQHPOUWZGABFBX-UHFFFAOYSA-N 0 3 291.391 1.854 10 10 CDCEHN CCON(CC)C(=O)CNCc1cc(C)cc(OC)c1O ZINC000895390371 619628269 /nfs/dbraw/zinc/62/82/69/619628269.db2.gz LINJZFVDAYYCHE-UHFFFAOYSA-N 0 3 296.367 1.599 10 10 CDCEHN CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)N1 ZINC001630406304 1166204010 /nfs/dbraw/zinc/20/40/10/1166204010.db2.gz PSZVWISARIUXKD-CMPLNLGQSA-N 0 3 278.352 1.239 10 10 CDCEHN CCN1CCO[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000313232296 726022936 /nfs/dbraw/zinc/02/29/36/726022936.db2.gz SUCOXVJCGKAGMB-KGLIPLIRSA-N 0 3 276.380 1.690 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@@H]2COCC[C@H]2O)cc1 ZINC000865749314 726050335 /nfs/dbraw/zinc/05/03/35/726050335.db2.gz CXRUEGRLBNAHOE-JGPFYOFESA-N 0 3 276.380 1.505 10 10 CDCEHN CC[S@](=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168766501 726146608 /nfs/dbraw/zinc/14/66/08/726146608.db2.gz JJOTVWVWTQWRGP-VVVCHXIZSA-N 0 3 259.346 1.951 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000862508306 726920766 /nfs/dbraw/zinc/92/07/66/726920766.db2.gz QCHITCYCFYLEKX-ZDUSSCGKSA-N 0 3 284.787 1.774 10 10 CDCEHN CCOCc1cc(CN[C@](C)(CO)COC)ccc1OC ZINC000777483336 727139574 /nfs/dbraw/zinc/13/95/74/727139574.db2.gz NEWBKPHXOZBPQC-MRXNPFEDSA-N 0 3 297.395 1.719 10 10 CDCEHN COc1cc(CN2CC[C@](O)(C(F)F)C2)c(O)cc1C ZINC000840119319 727296256 /nfs/dbraw/zinc/29/62/56/727296256.db2.gz QSTAAPROXVPWFS-CQSZACIVSA-N 0 3 287.306 1.911 10 10 CDCEHN [NH3+]C[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000926171283 727330072 /nfs/dbraw/zinc/33/00/72/727330072.db2.gz WQLSPBAUXVXFAO-VIFPVBQESA-N 0 3 295.236 1.220 10 10 CDCEHN COc1ccc(N2CC[C@H](NCc3ccnn3C)C2)cc1 ZINC000850346842 727398712 /nfs/dbraw/zinc/39/87/12/727398712.db2.gz YMANMHBJOUGHGW-ZDUSSCGKSA-N 0 3 286.379 1.797 10 10 CDCEHN O=C1O[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CN1C1CC1 ZINC000848928249 728104405 /nfs/dbraw/zinc/10/44/05/728104405.db2.gz BHCCLBTYADYSJM-GFCCVEGCSA-N 0 3 280.299 1.604 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c([O-])c1 ZINC000927134498 728214143 /nfs/dbraw/zinc/21/41/43/728214143.db2.gz JAONYIROFPRKLU-ABAIWWIYSA-N 0 3 275.352 1.818 10 10 CDCEHN COc1ccc(O)c([C@H](C)NCC(=O)NC(C)(C)C)c1 ZINC000121882820 1164876695 /nfs/dbraw/zinc/87/66/95/1164876695.db2.gz OGAHJXRZDVDXIM-JTQLQIEISA-N 0 3 280.368 1.966 10 10 CDCEHN CC1(C(N)=O)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843415581 937147691 /nfs/dbraw/zinc/14/76/91/937147691.db2.gz JOFSMGDPRLPLQU-UHFFFAOYSA-N 0 3 287.407 1.984 10 10 CDCEHN CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC ZINC000697901701 937287365 /nfs/dbraw/zinc/28/73/65/937287365.db2.gz AJMVVYHZEAGNAB-RISCZKNCSA-N 0 3 263.385 1.928 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000824892730 931486053 /nfs/dbraw/zinc/48/60/53/931486053.db2.gz ALKFVIJFVMOQNC-PHIMTYICSA-N 0 3 294.738 1.058 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000824892730 931486055 /nfs/dbraw/zinc/48/60/55/931486055.db2.gz ALKFVIJFVMOQNC-PHIMTYICSA-N 0 3 294.738 1.058 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093740201 342425900 /nfs/dbraw/zinc/42/59/00/342425900.db2.gz VWVRSSOVKYPRNE-AWEZNQCLSA-N 0 3 294.395 1.289 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000192071230 358173823 /nfs/dbraw/zinc/17/38/23/358173823.db2.gz WSWXZSMHGKHZAJ-ZWNOBZJWSA-N 0 3 251.326 1.915 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3O)OCO2 ZINC000093479882 360297643 /nfs/dbraw/zinc/29/76/43/360297643.db2.gz OZMSRDQBPWSACW-SOSAQKQKSA-N 0 3 291.347 1.714 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3O)OCO2 ZINC000093479882 360297648 /nfs/dbraw/zinc/29/76/48/360297648.db2.gz OZMSRDQBPWSACW-SOSAQKQKSA-N 0 3 291.347 1.714 10 10 CDCEHN Oc1cc2c(cc1CN1CCC[C@]13CCOC3)OCO2 ZINC000368487064 360681477 /nfs/dbraw/zinc/68/14/77/360681477.db2.gz GGLKPEWUYDITNG-OAHLLOKOSA-N 0 3 277.320 1.876 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]13CCOC3)OCO2 ZINC000368487064 360681481 /nfs/dbraw/zinc/68/14/81/360681481.db2.gz GGLKPEWUYDITNG-OAHLLOKOSA-N 0 3 277.320 1.876 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]13CCOC3)OCO2 ZINC000368487064 360681484 /nfs/dbraw/zinc/68/14/84/360681484.db2.gz GGLKPEWUYDITNG-OAHLLOKOSA-N 0 3 277.320 1.876 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000271752239 364996521 /nfs/dbraw/zinc/99/65/21/364996521.db2.gz CBKORSGGEJNIAL-AWEZNQCLSA-N 0 3 294.395 1.289 10 10 CDCEHN C[C@@H]([NH2+]CCn1cncn1)c1cc(F)ccc1[O-] ZINC000273408880 371162332 /nfs/dbraw/zinc/16/23/32/371162332.db2.gz PBKLWBCSEAVOFG-SECBINFHSA-N 0 3 250.277 1.474 10 10 CDCEHN [N-]=[N+]=CC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000096288926 256781395 /nfs/dbraw/zinc/78/13/95/256781395.db2.gz JBMWKVNPFQQUEZ-UHFFFAOYSA-N 0 3 272.284 1.332 10 10 CDCEHN C[C@H]([NH2+]CCN1CCCC1)c1ccc(O)cc1[O-] ZINC000020126856 171012254 /nfs/dbraw/zinc/01/22/54/171012254.db2.gz XSZHLPHYDRDMPP-NSHDSACASA-N 0 3 250.342 1.844 10 10 CDCEHN CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000071407961 176156731 /nfs/dbraw/zinc/15/67/31/176156731.db2.gz WFOQJHXXLABGLG-CYBMUJFWSA-N 0 3 264.369 1.951 10 10 CDCEHN CNC(=O)[C@@H](CC(C)C)NCc1cc(C)ccc1O ZINC000071407961 176156732 /nfs/dbraw/zinc/15/67/32/176156732.db2.gz WFOQJHXXLABGLG-CYBMUJFWSA-N 0 3 264.369 1.951 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1C[C@@H]3OCCC[C@H]13)OCO2 ZINC000190331481 329394969 /nfs/dbraw/zinc/39/49/69/329394969.db2.gz CXAIICQMLUOLPD-WZRBSPASSA-N 0 3 277.320 1.778 10 10 CDCEHN O=C1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CN1 ZINC000279494772 527025790 /nfs/dbraw/zinc/02/57/90/527025790.db2.gz VGWCZSQHANAIET-AWEZNQCLSA-N 0 3 264.300 1.243 10 10 CDCEHN O=C1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)CN1 ZINC000279494772 527025796 /nfs/dbraw/zinc/02/57/96/527025796.db2.gz VGWCZSQHANAIET-AWEZNQCLSA-N 0 3 264.300 1.243 10 10 CDCEHN O=S1(=O)CCC(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000768653758 576302336 /nfs/dbraw/zinc/30/23/36/576302336.db2.gz XDTDCXZPSWRGEB-UHFFFAOYSA-N 0 3 283.393 1.697 10 10 CDCEHN C[C@@H]1C[C@H](N[C@H]2CNOC2)c2c1c(F)ccc2O ZINC000925870632 617928255 /nfs/dbraw/zinc/92/82/55/617928255.db2.gz ZEFBLQYKTCBNAU-WEDXCCLWSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+][C@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925870632 617928266 /nfs/dbraw/zinc/92/82/66/617928266.db2.gz ZEFBLQYKTCBNAU-WEDXCCLWSA-N 0 3 252.289 1.573 10 10 CDCEHN CN(C)c1ccc(CN2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001648530920 1169136345 /nfs/dbraw/zinc/13/63/45/1169136345.db2.gz NQQBNQBUCKQTLL-HOCLYGCPSA-N 0 3 277.387 1.981 10 10 CDCEHN CC(C)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001597579025 1174281773 /nfs/dbraw/zinc/28/17/73/1174281773.db2.gz GRALGNCJBWFLGE-LBPRGKRZSA-N 0 3 278.352 1.587 10 10 CDCEHN COc1cccc([C@@H](C)NCc2ccnn2C)c1O ZINC000846138833 728894920 /nfs/dbraw/zinc/89/49/20/728894920.db2.gz IFDILDVPIXAQTP-SNVBAGLBSA-N 0 3 261.325 1.985 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CCc3n[nH]nc3C2)cc1 ZINC000827877157 728466453 /nfs/dbraw/zinc/46/64/53/728466453.db2.gz JBXWEBFRLVDPJO-ONEGZZNKSA-N 0 3 283.379 1.942 10 10 CDCEHN C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(F)ccc1[O-] ZINC000858493964 728554416 /nfs/dbraw/zinc/55/44/16/728554416.db2.gz BGPOVDLSJRZKHG-NQMVMOMDSA-N 0 3 252.289 1.446 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)NC)C2)c([O-])c1 ZINC000817413941 728991768 /nfs/dbraw/zinc/99/17/68/728991768.db2.gz ALHMAXQMMXKFJR-GFCCVEGCSA-N 0 3 278.352 1.359 10 10 CDCEHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)NC)C2)c([O-])c1 ZINC000817413941 728991772 /nfs/dbraw/zinc/99/17/72/728991772.db2.gz ALHMAXQMMXKFJR-GFCCVEGCSA-N 0 3 278.352 1.359 10 10 CDCEHN COC(OC)[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000079608276 729223742 /nfs/dbraw/zinc/22/37/42/729223742.db2.gz BKZBPDMYBQETGN-CYBMUJFWSA-N 0 3 294.395 1.620 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(F)ccc1[O-] ZINC000094618457 729336974 /nfs/dbraw/zinc/33/69/74/729336974.db2.gz SQJYLDCUEZBXTE-LDYMZIIASA-N 0 3 280.299 1.329 10 10 CDCEHN Oc1ccccc1CNCc1cccc(N2CCOCC2)n1 ZINC000775367015 729361692 /nfs/dbraw/zinc/36/16/92/729361692.db2.gz UBXFJSVNBLNCPX-UHFFFAOYSA-N 0 3 299.374 1.914 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c1 ZINC000817970926 729369493 /nfs/dbraw/zinc/36/94/93/729369493.db2.gz HSICWOMTVLOUHM-SUNKGSAMSA-N 0 3 292.379 1.827 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000809743532 729585618 /nfs/dbraw/zinc/58/56/18/729585618.db2.gz UNEVEVGXKQCMFO-LLVKDONJSA-N 0 3 279.258 1.804 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417340 729653501 /nfs/dbraw/zinc/65/35/01/729653501.db2.gz DKGBGZCUABJSGP-ZDUSSCGKSA-N 0 3 287.787 1.918 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417340 729653505 /nfs/dbraw/zinc/65/35/05/729653505.db2.gz DKGBGZCUABJSGP-ZDUSSCGKSA-N 0 3 287.787 1.918 10 10 CDCEHN Cc1ccc(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000843429424 937149413 /nfs/dbraw/zinc/14/94/13/937149413.db2.gz VIVBIXYEBPLFAR-ZDUSSCGKSA-N 0 3 291.395 1.252 10 10 CDCEHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000824583482 931471321 /nfs/dbraw/zinc/47/13/21/931471321.db2.gz MTMLBVIREJVYAU-AWEZNQCLSA-N 0 3 264.369 1.329 10 10 CDCEHN Cc1cccc(CN2CCN(c3nncn3C)CC2)c1O ZINC000848925387 969356309 /nfs/dbraw/zinc/35/63/09/969356309.db2.gz UJASINUMGYYMJA-UHFFFAOYSA-N 0 3 287.367 1.151 10 10 CDCEHN Cc1ccc(O)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245781386 361917416 /nfs/dbraw/zinc/91/74/16/361917416.db2.gz UIQVWNYHFZANHQ-KBPBESRZSA-N 0 3 278.396 1.588 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530181889 368146838 /nfs/dbraw/zinc/14/68/38/368146838.db2.gz POTHWQFDITXFMW-LBPRGKRZSA-N 0 3 270.760 1.432 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000182663002 391239480 /nfs/dbraw/zinc/23/94/80/391239480.db2.gz MRANQRFJKGNPAS-CYBMUJFWSA-N 0 3 271.744 1.595 10 10 CDCEHN CC(C)N(CC(=O)NC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000298737611 391712708 /nfs/dbraw/zinc/71/27/08/391712708.db2.gz VTYYWWXTNCCKAH-UHFFFAOYSA-N 0 3 292.383 1.158 10 10 CDCEHN CCN1CCO[C@H](CNCc2ccc(OC)c(C)c2)C1 ZINC000071880817 176288204 /nfs/dbraw/zinc/28/82/04/176288204.db2.gz SDNLRYOJIYCQJO-OAHLLOKOSA-N 0 3 278.396 1.814 10 10 CDCEHN COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529681136 281354788 /nfs/dbraw/zinc/35/47/88/281354788.db2.gz VYNZKXRERRZVDH-MTJIALIYSA-N 0 3 295.404 1.886 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000228675189 329058948 /nfs/dbraw/zinc/05/89/48/329058948.db2.gz ICYMFNYFCGQXEM-LLVKDONJSA-N 0 3 298.770 1.765 10 10 CDCEHN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527767122 330281777 /nfs/dbraw/zinc/28/17/77/330281777.db2.gz RZWBLUMKDDJQSN-ZUZCIYMTSA-N 0 3 277.320 1.778 10 10 CDCEHN COc1cc([O-])c(C[N@H+](C)[C@@H](C)CO)cc1OC ZINC000289498161 522775264 /nfs/dbraw/zinc/77/52/64/522775264.db2.gz SPPSSJMKMSUIMQ-VIFPVBQESA-N 0 3 255.314 1.222 10 10 CDCEHN COc1cc([O-])c(C[N@@H+](C)[C@@H](C)CO)cc1OC ZINC000289498161 522775277 /nfs/dbraw/zinc/77/52/77/522775277.db2.gz SPPSSJMKMSUIMQ-VIFPVBQESA-N 0 3 255.314 1.222 10 10 CDCEHN COc1cc(O)c(CN(C)[C@@H](C)CO)cc1OC ZINC000289498161 522775286 /nfs/dbraw/zinc/77/52/86/522775286.db2.gz SPPSSJMKMSUIMQ-VIFPVBQESA-N 0 3 255.314 1.222 10 10 CDCEHN Nc1ccnc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000903950174 626164570 /nfs/dbraw/zinc/16/45/70/626164570.db2.gz JJYBZFYVPCWMRZ-UHFFFAOYSA-N 0 3 298.390 1.790 10 10 CDCEHN CN(C)CCONC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001637992759 1166811428 /nfs/dbraw/zinc/81/14/28/1166811428.db2.gz LLDVZZFHKAHCAJ-UHFFFAOYSA-N 0 3 279.300 1.072 10 10 CDCEHN Nc1nc(N)nc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC001639520442 1166946830 /nfs/dbraw/zinc/94/68/30/1166946830.db2.gz YRMKYGFHAMCICW-UHFFFAOYSA-N 0 3 283.339 1.024 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000827152834 731205722 /nfs/dbraw/zinc/20/57/22/731205722.db2.gz WWKKWFVCIXDTDT-HBYGRHMLSA-N 0 3 265.353 1.850 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000827152834 731205726 /nfs/dbraw/zinc/20/57/26/731205726.db2.gz WWKKWFVCIXDTDT-HBYGRHMLSA-N 0 3 265.353 1.850 10 10 CDCEHN CCNC(=O)[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835042967 731401465 /nfs/dbraw/zinc/40/14/65/731401465.db2.gz NKWOBTJZGPTGAP-FMFIFOJESA-N 0 3 275.396 1.880 10 10 CDCEHN C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000848294540 731679927 /nfs/dbraw/zinc/67/99/27/731679927.db2.gz HBERJZITRCJLMA-AOOOYVTPSA-N 0 3 264.325 1.168 10 10 CDCEHN C[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccccc1[O-] ZINC000842901250 731810661 /nfs/dbraw/zinc/81/06/61/731810661.db2.gz JOMDJRXATZICSG-LLVKDONJSA-N 0 3 260.341 1.804 10 10 CDCEHN COc1cc(N(C)C[C@H]2CNCCO2)cc(OC)c1OC ZINC000852746762 731847308 /nfs/dbraw/zinc/84/73/08/731847308.db2.gz SAAHDCTZCAOLJU-GFCCVEGCSA-N 0 3 296.367 1.137 10 10 CDCEHN COC1(OC)CC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000710893817 732137115 /nfs/dbraw/zinc/13/71/15/732137115.db2.gz KEOVTRUNARLNJY-AWEZNQCLSA-N 0 3 264.369 1.994 10 10 CDCEHN CCON(CC)C(=O)CNCc1cc(F)ccc1O ZINC000862453458 732305102 /nfs/dbraw/zinc/30/51/02/732305102.db2.gz VPPMAPHWCWTMOS-UHFFFAOYSA-N 0 3 270.304 1.421 10 10 CDCEHN CCON(CC)C(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000862453458 732305111 /nfs/dbraw/zinc/30/51/11/732305111.db2.gz VPPMAPHWCWTMOS-UHFFFAOYSA-N 0 3 270.304 1.421 10 10 CDCEHN COc1cccc(C[N@H+](C)CC2(CO)CC2)c1[O-] ZINC000188960057 732989443 /nfs/dbraw/zinc/98/94/43/732989443.db2.gz OTSPJGXRPXAKCN-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN COc1cccc(C[N@@H+](C)CC2(CO)CC2)c1[O-] ZINC000188960057 732989449 /nfs/dbraw/zinc/98/94/49/732989449.db2.gz OTSPJGXRPXAKCN-UHFFFAOYSA-N 0 3 251.326 1.605 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000850343478 733077168 /nfs/dbraw/zinc/07/71/68/733077168.db2.gz UBTMDXVRTZIBQI-IAQYHMDHSA-N 0 3 281.352 1.542 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c([O-])c1 ZINC000786945364 733162789 /nfs/dbraw/zinc/16/27/89/733162789.db2.gz MOPPVBZEQZUETK-LLVKDONJSA-N 0 3 283.393 1.786 10 10 CDCEHN C[C@@H]1CCNC(=O)[C@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000835051241 936715616 /nfs/dbraw/zinc/71/56/16/936715616.db2.gz IPGHJJKIQUDXAK-GNVQUDOXSA-N 0 3 287.407 1.880 10 10 CDCEHN COC(=O)N(C)CCN(C)Cc1ccc(N(C)C)cc1 ZINC000852568487 927819643 /nfs/dbraw/zinc/81/96/43/927819643.db2.gz GTOMYSZVZHHBTB-UHFFFAOYSA-N 0 3 279.384 1.883 10 10 CDCEHN CCOc1ccc(C[NH2+]CC[C@@](C)(O)COC)c([O-])c1 ZINC000824558958 931459611 /nfs/dbraw/zinc/45/96/11/931459611.db2.gz ALTXXUUEFBABBS-OAHLLOKOSA-N 0 3 283.368 1.668 10 10 CDCEHN COc1cc(Br)cc([C@@H]([NH3+])CCO)c1[O-] ZINC000044232780 374345605 /nfs/dbraw/zinc/34/56/05/374345605.db2.gz BENJAQSYQXYMGL-QMMMGPOBSA-N 0 3 276.130 1.546 10 10 CDCEHN Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000284765393 375141298 /nfs/dbraw/zinc/14/12/98/375141298.db2.gz PDBFGDFJJJSQBE-YOEHRIQHSA-N 0 3 299.374 1.975 10 10 CDCEHN CN1CCO[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000069533350 378265898 /nfs/dbraw/zinc/26/58/98/378265898.db2.gz CXALZBDUNURHCT-CQSZACIVSA-N 0 3 262.353 1.042 10 10 CDCEHN COc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1C ZINC000069928212 379235650 /nfs/dbraw/zinc/23/56/50/379235650.db2.gz OQVIKLMHCZETCK-INIZCTEOSA-N 0 3 290.407 1.956 10 10 CDCEHN COC[C@](C)(CCO)[NH2+]Cc1cccc(C)c1[O-] ZINC000182560784 391237569 /nfs/dbraw/zinc/23/75/69/391237569.db2.gz NDLNDYDIOXZMJQ-AWEZNQCLSA-N 0 3 253.342 1.578 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1[O-] ZINC000183596955 391267015 /nfs/dbraw/zinc/26/70/15/391267015.db2.gz PJYPKRDXIBHVFA-GHMZBOCLSA-N 0 3 258.325 1.649 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)CC2 ZINC000527956861 393005737 /nfs/dbraw/zinc/00/57/37/393005737.db2.gz YBVWWCVTSVDBQU-XBFCOCLRSA-N 0 3 263.337 1.509 10 10 CDCEHN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccccc1[O-] ZINC000527958857 393005849 /nfs/dbraw/zinc/00/58/49/393005849.db2.gz XEMVCNNGJPTKTN-NWANDNLSSA-N 0 3 265.353 1.973 10 10 CDCEHN Nc1ccc(NC(=O)CCN2CCC(O)CC2)cc1 ZINC000022223693 171379573 /nfs/dbraw/zinc/37/95/73/171379573.db2.gz UADGWZYDPLQLBA-UHFFFAOYSA-N 0 3 263.341 1.054 10 10 CDCEHN C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184936348 262034057 /nfs/dbraw/zinc/03/40/57/262034057.db2.gz AISHYYUDQJTLEW-NWDGAFQWSA-N 0 3 282.359 1.903 10 10 CDCEHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000187123735 262125140 /nfs/dbraw/zinc/12/51/40/262125140.db2.gz DVGQIUOVDUWBCW-WDEREUQCSA-N 0 3 278.352 1.653 10 10 CDCEHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000187123735 262125143 /nfs/dbraw/zinc/12/51/43/262125143.db2.gz DVGQIUOVDUWBCW-WDEREUQCSA-N 0 3 278.352 1.653 10 10 CDCEHN CN(C)c1ccc(CN2CCCC[C@]2(C)C(N)=O)cc1 ZINC000184236419 329258151 /nfs/dbraw/zinc/25/81/51/329258151.db2.gz FAIXLELQUNITGM-MRXNPFEDSA-N 0 3 275.396 1.983 10 10 CDCEHN Oc1cc2c(cc1CN1CCN(C3CC3)CC1)[C@H](O)CO2 ZINC000768445610 576284063 /nfs/dbraw/zinc/28/40/63/576284063.db2.gz RRCMAYQJUNWNDC-OAHLLOKOSA-N 0 3 290.363 1.098 10 10 CDCEHN CN1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000748458679 576913673 /nfs/dbraw/zinc/91/36/73/576913673.db2.gz AQOPGWOETUSZRE-LBPRGKRZSA-N 0 3 263.341 1.286 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)c2c1c(F)ccc2[O-] ZINC000756507085 576992666 /nfs/dbraw/zinc/99/26/66/576992666.db2.gz AJHAMBOVBVFIBX-MIMYLULJSA-N 0 3 278.327 1.948 10 10 CDCEHN CC(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)N(C)C ZINC000871202881 1165276052 /nfs/dbraw/zinc/27/60/52/1165276052.db2.gz OBIMUGAIDHQUKT-CQSZACIVSA-N 0 3 262.353 1.821 10 10 CDCEHN CC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844014 735534432 /nfs/dbraw/zinc/53/44/32/735534432.db2.gz MXJXDKFDSSEZAC-FZMZJTMJSA-N 0 3 277.368 1.127 10 10 CDCEHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c([O-])cccc1OC ZINC000824635581 736336162 /nfs/dbraw/zinc/33/61/62/736336162.db2.gz IMSWMUWAPUYWPC-YPMHNXCESA-N 0 3 265.353 1.994 10 10 CDCEHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c([O-])cccc1OC ZINC000824635581 736336171 /nfs/dbraw/zinc/33/61/71/736336171.db2.gz IMSWMUWAPUYWPC-YPMHNXCESA-N 0 3 265.353 1.994 10 10 CDCEHN CCNC(=O)[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835042971 733814441 /nfs/dbraw/zinc/81/44/41/733814441.db2.gz NKWOBTJZGPTGAP-YBJDMEARSA-N 0 3 275.396 1.880 10 10 CDCEHN COc1ccc(N2CC[C@@H](NCc3ccnn3C)C2)cc1 ZINC000850346841 734149610 /nfs/dbraw/zinc/14/96/10/734149610.db2.gz YMANMHBJOUGHGW-CYBMUJFWSA-N 0 3 286.379 1.797 10 10 CDCEHN C[C@H]([NH2+]C1CCS(=O)CC1)c1ccccc1[O-] ZINC000157947061 734535923 /nfs/dbraw/zinc/53/59/23/734535923.db2.gz BDLMDFQUYMVJAU-KCCQOBMMSA-N 0 3 253.367 1.954 10 10 CDCEHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c(O)c1O ZINC000928431774 734914188 /nfs/dbraw/zinc/91/41/88/734914188.db2.gz AVPCCJLJSWMNEF-KOLCDFICSA-N 0 3 264.325 1.229 10 10 CDCEHN CC(C)N(C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862028242 734916982 /nfs/dbraw/zinc/91/69/82/734916982.db2.gz VGLLCDSODJZADC-UHFFFAOYSA-N 0 3 287.363 1.897 10 10 CDCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000796493141 735100980 /nfs/dbraw/zinc/10/09/80/735100980.db2.gz VTLNUZLZXRRKGJ-SNVBAGLBSA-N 0 3 269.366 1.448 10 10 CDCEHN O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000228512216 936889545 /nfs/dbraw/zinc/88/95/45/936889545.db2.gz SCVJWNFNUPOUIW-RYUDHWBXSA-N 0 3 276.336 1.454 10 10 CDCEHN O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1[O-] ZINC000228512216 936889549 /nfs/dbraw/zinc/88/95/49/936889549.db2.gz SCVJWNFNUPOUIW-RYUDHWBXSA-N 0 3 276.336 1.454 10 10 CDCEHN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(C)C1 ZINC001166443778 939609154 /nfs/dbraw/zinc/60/91/54/939609154.db2.gz GOJSMFNBFPRZRE-LBPRGKRZSA-N 0 3 278.352 1.193 10 10 CDCEHN COc1ccc(O)c(CN[C@H](C(N)=O)C(C)C)c1 ZINC000231035636 539136155 /nfs/dbraw/zinc/13/61/55/539136155.db2.gz KIDUKRCCPRKMBE-LBPRGKRZSA-N 0 3 252.314 1.000 10 10 CDCEHN CC1(C[NH2+]Cc2cc(F)ccc2[O-])OCCCO1 ZINC000190839000 358095568 /nfs/dbraw/zinc/09/55/68/358095568.db2.gz ASWIMBZSMXHMIT-UHFFFAOYSA-N 0 3 255.289 1.774 10 10 CDCEHN Nc1ccc(N2CCN(c3ccncc3)CC2)cc1 ZINC000037671401 283664261 /nfs/dbraw/zinc/66/42/61/283664261.db2.gz RJBAGSFWPCJRIT-UHFFFAOYSA-N 0 3 254.337 1.990 10 10 CDCEHN COC[C@](C)(CCO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000182560933 391237423 /nfs/dbraw/zinc/23/74/23/391237423.db2.gz LJJRAKXHYVQFBL-AWEZNQCLSA-N 0 3 269.341 1.278 10 10 CDCEHN CC(C)[C@H](C(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O ZINC000096291030 393172890 /nfs/dbraw/zinc/17/28/90/393172890.db2.gz HJZRFDMPYULVON-GFCCVEGCSA-N 0 3 272.284 1.186 10 10 CDCEHN COC(=O)CCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000037415808 173192698 /nfs/dbraw/zinc/19/26/98/173192698.db2.gz FHJAUVGYTRTGOU-UHFFFAOYSA-N 0 3 253.298 1.444 10 10 CDCEHN O[C@@H](CNCc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000527762364 281180026 /nfs/dbraw/zinc/18/00/26/281180026.db2.gz ZOGRXHHJNNPUGE-DZGCQCFKSA-N 0 3 263.337 1.251 10 10 CDCEHN Cc1cc(O)c(CN2CCO[C@H](CN(C)C)C2)cc1C ZINC000152975519 327567584 /nfs/dbraw/zinc/56/75/84/327567584.db2.gz CADXZQPTPYYYDW-OAHLLOKOSA-N 0 3 278.396 1.771 10 10 CDCEHN CCCNC(=O)CNCc1cccc(OC)c1O ZINC000036780942 519880383 /nfs/dbraw/zinc/88/03/83/519880383.db2.gz VHIWIPOVUGJPOJ-UHFFFAOYSA-N 0 3 252.314 1.017 10 10 CDCEHN COc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1[O-] ZINC000089151188 526023005 /nfs/dbraw/zinc/02/30/05/526023005.db2.gz HRJQQMMOROSVQG-ZYHUDNBSSA-N 0 3 251.326 1.651 10 10 CDCEHN C[C@@H](NCC[S@](C)=O)c1ccc(N2CCOCC2)cc1 ZINC000766050643 575092838 /nfs/dbraw/zinc/09/28/38/575092838.db2.gz QKWSNWDHBTUZKZ-XCLFUZPHSA-N 0 3 296.436 1.552 10 10 CDCEHN CC[N@@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000746687155 576789317 /nfs/dbraw/zinc/78/93/17/576789317.db2.gz ZOGWMPGLCYPORF-SECBINFHSA-N 0 3 254.355 1.525 10 10 CDCEHN CC[N@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000746687155 576789318 /nfs/dbraw/zinc/78/93/18/576789318.db2.gz ZOGWMPGLCYPORF-SECBINFHSA-N 0 3 254.355 1.525 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN1CCN(CCO)[C@@H](C)C1 ZINC000840938954 617621494 /nfs/dbraw/zinc/62/14/94/617621494.db2.gz JZITYNJBACEGSX-HNNXBMFYSA-N 0 3 291.439 1.559 10 10 CDCEHN Cc1cc([O-])c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000826535488 618596609 /nfs/dbraw/zinc/59/66/09/618596609.db2.gz YFXMPMGNTFHJBM-QWHCGFSZSA-N 0 3 296.798 1.605 10 10 CDCEHN Cc1cc([O-])c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000826535488 618596622 /nfs/dbraw/zinc/59/66/22/618596622.db2.gz YFXMPMGNTFHJBM-QWHCGFSZSA-N 0 3 296.798 1.605 10 10 CDCEHN C[NH+]1CCC(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC000928708777 620506259 /nfs/dbraw/zinc/50/62/59/620506259.db2.gz TYSMDBHLEPBTQN-UHFFFAOYSA-N 0 3 280.343 1.879 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690792669 1159452179 /nfs/dbraw/zinc/45/21/79/1159452179.db2.gz WJGMWHOOLWDKGB-ZYHUDNBSSA-N 0 3 251.301 2.000 10 10 CDCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690792669 1159452183 /nfs/dbraw/zinc/45/21/83/1159452183.db2.gz WJGMWHOOLWDKGB-ZYHUDNBSSA-N 0 3 251.301 2.000 10 10 CDCEHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000825752638 737271661 /nfs/dbraw/zinc/27/16/61/737271661.db2.gz GJGGAORGADGLFS-OASPWFOLSA-N 0 3 279.336 1.688 10 10 CDCEHN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccccc1O ZINC000868363752 737728260 /nfs/dbraw/zinc/72/82/60/737728260.db2.gz PZKJWTRAQOZVOE-NEPJUHHUSA-N 0 3 277.368 1.847 10 10 CDCEHN CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508345 737758712 /nfs/dbraw/zinc/75/87/12/737758712.db2.gz MUHYQDRNPUJBDG-GDBMZVCRSA-N 0 3 295.379 1.601 10 10 CDCEHN COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840979212 737798856 /nfs/dbraw/zinc/79/88/56/737798856.db2.gz ZKXOKWJUPWTEDQ-NSHDSACASA-N 0 3 299.367 1.869 10 10 CDCEHN COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840979212 737798860 /nfs/dbraw/zinc/79/88/60/737798860.db2.gz ZKXOKWJUPWTEDQ-NSHDSACASA-N 0 3 299.367 1.869 10 10 CDCEHN CC[S@](=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169087951 738032071 /nfs/dbraw/zinc/03/20/71/738032071.db2.gz AMMZXXVFJDIVCT-GOSISDBHSA-N 0 3 291.800 1.912 10 10 CDCEHN [O-]c1ccccc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000808430012 738058140 /nfs/dbraw/zinc/05/81/40/738058140.db2.gz AXTSEYMIMYCQHH-CQSZACIVSA-N 0 3 258.321 1.653 10 10 CDCEHN CCN1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126304424 738744112 /nfs/dbraw/zinc/74/41/12/738744112.db2.gz RRAQVSQAUXHDBW-JTQLQIEISA-N 0 3 264.325 1.312 10 10 CDCEHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OC ZINC000808757961 737457877 /nfs/dbraw/zinc/45/78/77/737457877.db2.gz WWAYJKNOWYWCQU-MRXNPFEDSA-N 0 3 295.379 1.918 10 10 CDCEHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(=O)OC ZINC000808757961 737457884 /nfs/dbraw/zinc/45/78/84/737457884.db2.gz WWAYJKNOWYWCQU-MRXNPFEDSA-N 0 3 295.379 1.918 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)NC2)c1 ZINC000863545936 737459134 /nfs/dbraw/zinc/45/91/34/737459134.db2.gz IYKHRYNBDLFZTJ-NTZNESFSSA-N 0 3 292.379 1.970 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863545936 737459138 /nfs/dbraw/zinc/45/91/38/737459138.db2.gz IYKHRYNBDLFZTJ-NTZNESFSSA-N 0 3 292.379 1.970 10 10 CDCEHN CCN(OC)C(=O)CNCc1cc(Cl)cc(C)c1O ZINC000843430643 738079028 /nfs/dbraw/zinc/07/90/28/738079028.db2.gz NMPHWBCLBCLHQN-UHFFFAOYSA-N 0 3 286.759 1.854 10 10 CDCEHN CCN(OC)C(=O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000843430643 738079032 /nfs/dbraw/zinc/07/90/32/738079032.db2.gz NMPHWBCLBCLHQN-UHFFFAOYSA-N 0 3 286.759 1.854 10 10 CDCEHN C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)cc2)CS1(=O)=O ZINC000850368042 927421545 /nfs/dbraw/zinc/42/15/45/927421545.db2.gz HUAWUBWBHNJXIA-TZMCWYRMSA-N 0 3 296.436 1.808 10 10 CDCEHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850388329 927423803 /nfs/dbraw/zinc/42/38/03/927423803.db2.gz LGDVCXBYNUCVOJ-KBPBESRZSA-N 0 3 263.337 1.794 10 10 CDCEHN COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000846046796 931963669 /nfs/dbraw/zinc/96/36/69/931963669.db2.gz BEZRTTRRZUJTDG-QWHCGFSZSA-N 0 3 285.771 1.936 10 10 CDCEHN COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000846046796 931963672 /nfs/dbraw/zinc/96/36/72/931963672.db2.gz BEZRTTRRZUJTDG-QWHCGFSZSA-N 0 3 285.771 1.936 10 10 CDCEHN CC1(C(N)=O)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001328504206 955314899 /nfs/dbraw/zinc/31/48/99/955314899.db2.gz JHMHIPQTUWFYOB-UHFFFAOYSA-N 0 3 273.380 1.594 10 10 CDCEHN CCCN(C)CC(=O)NCc1cccc(O)c1O ZINC001520508535 970193687 /nfs/dbraw/zinc/19/36/87/970193687.db2.gz FFDSKXALBWIOSP-UHFFFAOYSA-N 0 3 252.314 1.056 10 10 CDCEHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](C)CO ZINC000123218486 360270389 /nfs/dbraw/zinc/27/03/89/360270389.db2.gz UHPHWGMFAWDZJY-RKDXNWHRSA-N 0 3 253.298 1.227 10 10 CDCEHN COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1[O-] ZINC000282500549 364127619 /nfs/dbraw/zinc/12/76/19/364127619.db2.gz WPNFMINNEVSAPY-GXSJLCMTSA-N 0 3 264.325 1.158 10 10 CDCEHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271076249 364908912 /nfs/dbraw/zinc/90/89/12/364908912.db2.gz GZKINQBJSBNEHK-LBPRGKRZSA-N 0 3 280.343 1.887 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367701217 372652001 /nfs/dbraw/zinc/65/20/01/372652001.db2.gz YEWVOZHGEYQIFG-JXJLXUTGSA-N 0 3 263.337 1.944 10 10 CDCEHN C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000183441662 391264541 /nfs/dbraw/zinc/26/45/41/391264541.db2.gz QYCWNUQJWAQFDP-KBPBESRZSA-N 0 3 278.396 1.890 10 10 CDCEHN CCC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C ZINC000159821538 261194966 /nfs/dbraw/zinc/19/49/66/261194966.db2.gz QSHASTJSESXCID-LBPRGKRZSA-N 0 3 280.368 1.487 10 10 CDCEHN CN1CCO[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297127072 277127962 /nfs/dbraw/zinc/12/79/62/277127962.db2.gz YVKZOIOVBPCQLQ-CHWSQXEVSA-N 0 3 262.353 1.300 10 10 CDCEHN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1F ZINC000188747306 329370886 /nfs/dbraw/zinc/37/08/86/329370886.db2.gz KWOYNFHDVCWQMV-CMPLNLGQSA-N 0 3 283.322 1.208 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1C[C@H]3OCCC[C@H]13)OCO2 ZINC000190331449 329395018 /nfs/dbraw/zinc/39/50/18/329395018.db2.gz CXAIICQMLUOLPD-NQBHXWOUSA-N 0 3 277.320 1.778 10 10 CDCEHN COc1ccc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783316 524441435 /nfs/dbraw/zinc/44/14/35/524441435.db2.gz SURLBNGLJSRKIJ-VIFPVBQESA-N 0 3 251.286 1.402 10 10 CDCEHN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)CCN1 ZINC000052783406 525063947 /nfs/dbraw/zinc/06/39/47/525063947.db2.gz DTZAYPQBHNVNKK-SECBINFHSA-N 0 3 290.323 1.278 10 10 CDCEHN CN(C)C1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC000928709008 620506346 /nfs/dbraw/zinc/50/63/46/620506346.db2.gz VKTUHTFNAMUCOY-UHFFFAOYSA-N 0 3 266.316 1.632 10 10 CDCEHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1C ZINC000902925535 625638759 /nfs/dbraw/zinc/63/87/59/625638759.db2.gz MHYVQVVXZMFROH-WFASDCNBSA-N 0 3 290.411 1.644 10 10 CDCEHN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(N2CCCC2)C1 ZINC000912324932 629936042 /nfs/dbraw/zinc/93/60/42/629936042.db2.gz LGDCXCYECMMTES-XQRVVYSFSA-N 0 3 288.347 1.418 10 10 CDCEHN C[C@H]1[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCN1C ZINC000925347018 633206826 /nfs/dbraw/zinc/20/68/26/633206826.db2.gz WHDOGSGROGBEIX-GXFFZTMASA-N 0 3 275.352 1.510 10 10 CDCEHN CC(C)[C@@H](C(=O)NCc1c([O-])cccc1F)[NH+](C)C ZINC000928705536 740919697 /nfs/dbraw/zinc/91/96/97/740919697.db2.gz KZHWASKOSSPIOH-ZDUSSCGKSA-N 0 3 268.332 1.734 10 10 CDCEHN CCOCc1cc(CNC[C@H](O)[C@H](C)O)ccc1OC ZINC000865742365 741808674 /nfs/dbraw/zinc/80/86/74/741808674.db2.gz YZBUMTWFQDFFFB-FZMZJTMJSA-N 0 3 283.368 1.063 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417335 740301038 /nfs/dbraw/zinc/30/10/38/740301038.db2.gz DKGBGZCUABJSGP-CYBMUJFWSA-N 0 3 287.787 1.918 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417335 740301042 /nfs/dbraw/zinc/30/10/42/740301042.db2.gz DKGBGZCUABJSGP-CYBMUJFWSA-N 0 3 287.787 1.918 10 10 CDCEHN COc1cccc(C[N@H+](C)CC2CN(C)C2)c1[O-] ZINC000827125029 740355550 /nfs/dbraw/zinc/35/55/50/740355550.db2.gz GWDZRKNKDUONCU-UHFFFAOYSA-N 0 3 250.342 1.394 10 10 CDCEHN COc1cccc(C[N@@H+](C)CC2CN(C)C2)c1[O-] ZINC000827125029 740355554 /nfs/dbraw/zinc/35/55/54/740355554.db2.gz GWDZRKNKDUONCU-UHFFFAOYSA-N 0 3 250.342 1.394 10 10 CDCEHN O=C1O[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000848573878 740402160 /nfs/dbraw/zinc/40/21/60/740402160.db2.gz KTUHGWJOJJNBTR-CHWSQXEVSA-N 0 3 288.347 1.952 10 10 CDCEHN C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(F)cc1[O-] ZINC000854227031 741109055 /nfs/dbraw/zinc/10/90/55/741109055.db2.gz KQQZCTNXJQQOQF-IPWFMCSPSA-N 0 3 250.317 1.934 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c([O-])c1 ZINC000700209743 741478853 /nfs/dbraw/zinc/47/88/53/741478853.db2.gz LTMPMPULBBUVOB-CHWSQXEVSA-N 0 3 264.369 1.682 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000925344677 741545978 /nfs/dbraw/zinc/54/59/78/741545978.db2.gz LZKDELMESIDNJL-WCQYABFASA-N 0 3 277.368 1.592 10 10 CDCEHN CC[C@H](O)CN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000123590217 360300301 /nfs/dbraw/zinc/30/03/01/360300301.db2.gz CTCJQRLIXTUFOB-HNNXBMFYSA-N 0 3 278.396 1.589 10 10 CDCEHN CCN(CC)c1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1 ZINC000271400421 364982711 /nfs/dbraw/zinc/98/27/11/364982711.db2.gz VQLJHBIAVFIYSS-CQSZACIVSA-N 0 3 290.411 1.775 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000374159269 391151890 /nfs/dbraw/zinc/15/18/90/391151890.db2.gz LYKWZGNSHNUHKX-MRVWCRGKSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000374159269 391151892 /nfs/dbraw/zinc/15/18/92/391151892.db2.gz LYKWZGNSHNUHKX-MRVWCRGKSA-N 0 3 274.364 1.800 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccccc1[O-] ZINC000183441709 391264563 /nfs/dbraw/zinc/26/45/63/391264563.db2.gz QYCWNUQJWAQFDP-ZIAGYGMSSA-N 0 3 278.396 1.890 10 10 CDCEHN COc1cccc(CNC[C@H](O)C(F)(F)F)c1O ZINC000227439279 392019166 /nfs/dbraw/zinc/01/91/66/392019166.db2.gz MVRDRYKPCGMCTC-VIFPVBQESA-N 0 3 265.231 1.414 10 10 CDCEHN CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000527958858 393005727 /nfs/dbraw/zinc/00/57/27/393005727.db2.gz XEMVCNNGJPTKTN-QEJZJMRPSA-N 0 3 265.353 1.973 10 10 CDCEHN CC(=O)NCC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000020148790 171036893 /nfs/dbraw/zinc/03/68/93/171036893.db2.gz YOSBDAWVHLURBV-UHFFFAOYSA-N 0 3 258.321 1.771 10 10 CDCEHN Nc1ccc(CC(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000188668270 329371634 /nfs/dbraw/zinc/37/16/34/329371634.db2.gz BXXQPJSQDJTFBA-UHFFFAOYSA-N 0 3 281.359 1.731 10 10 CDCEHN Cc1cc(N2CCN(Cc3ccccc3O)CC2)n[nH]1 ZINC000189021150 329375183 /nfs/dbraw/zinc/37/51/83/329375183.db2.gz QBRSOGYPONIGIV-UHFFFAOYSA-N 0 3 272.352 1.746 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@]2(CCO)CCOC2)c1[O-] ZINC000278661798 524873699 /nfs/dbraw/zinc/87/36/99/524873699.db2.gz KRGOXKUFSHEWOX-AWEZNQCLSA-N 0 3 285.771 1.985 10 10 CDCEHN Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000927141481 621834885 /nfs/dbraw/zinc/83/48/85/621834885.db2.gz AVHIFUSYQQSBQB-WCQYABFASA-N 0 3 284.363 1.655 10 10 CDCEHN C[C@@H]1[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCN1C ZINC000925347020 633206845 /nfs/dbraw/zinc/20/68/45/633206845.db2.gz WHDOGSGROGBEIX-ZWNOBZJWSA-N 0 3 275.352 1.510 10 10 CDCEHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1O ZINC001642831050 1167201230 /nfs/dbraw/zinc/20/12/30/1167201230.db2.gz OKTYAOKVYARVTI-RYUDHWBXSA-N 0 3 262.353 1.911 10 10 CDCEHN O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC001583792570 1172782247 /nfs/dbraw/zinc/78/22/47/1172782247.db2.gz YAVDAHQZUZOGJL-LBPRGKRZSA-N 0 3 290.363 1.798 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(OCCO)CCOC1)CC2 ZINC000850510958 742871398 /nfs/dbraw/zinc/87/13/98/742871398.db2.gz YSKPLHCZHWZKNH-CZUORRHYSA-N 0 3 293.363 1.137 10 10 CDCEHN COc1cccc(CNC(=O)CN2CC[C@H](C)C2)c1O ZINC000847589449 742886184 /nfs/dbraw/zinc/88/61/84/742886184.db2.gz JWJKJZPTOWIEOX-NSHDSACASA-N 0 3 278.352 1.359 10 10 CDCEHN CN(C)c1ccc(/C=C\CN(CCO)CCCO)cc1 ZINC000835027382 743079883 /nfs/dbraw/zinc/07/98/83/743079883.db2.gz FHXOYVDERWXLLU-HYXAFXHYSA-N 0 3 278.396 1.443 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927128714 745518125 /nfs/dbraw/zinc/51/81/25/745518125.db2.gz DQFNTWMDCYCNOF-IINYFYTJSA-N 0 3 261.325 1.510 10 10 CDCEHN C[C@H]([NH2+]C1COCCOC1)c1cc(F)ccc1[O-] ZINC000310871347 745577230 /nfs/dbraw/zinc/57/72/30/745577230.db2.gz UFFTXOFDJMYBJT-VIFPVBQESA-N 0 3 255.289 1.597 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972229 745897763 /nfs/dbraw/zinc/89/77/63/745897763.db2.gz VHKSWVBTSYDCRQ-KWBADKCTSA-N 0 3 279.340 1.949 10 10 CDCEHN CN(C)c1ccc(/C=C/CN(CCO)CCCO)cc1 ZINC000835027381 745921392 /nfs/dbraw/zinc/92/13/92/745921392.db2.gz FHXOYVDERWXLLU-HWKANZROSA-N 0 3 278.396 1.443 10 10 CDCEHN COc1cccc(O)c1CN1CC[C@](O)(C(F)F)C1 ZINC000824726183 746055056 /nfs/dbraw/zinc/05/50/56/746055056.db2.gz IBNXMXXRUCYODX-CYBMUJFWSA-N 0 3 273.279 1.603 10 10 CDCEHN CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([O-])cs1 ZINC000848376965 746554240 /nfs/dbraw/zinc/55/42/40/746554240.db2.gz RVZTXEUTZMCBOH-JTQLQIEISA-N 0 3 286.397 1.276 10 10 CDCEHN C[NH+](C)C1CC(NCc2cc(F)cc(F)c2[O-])C1 ZINC000708394329 746656784 /nfs/dbraw/zinc/65/67/84/746656784.db2.gz WVQWPVMLGWJJLD-UHFFFAOYSA-N 0 3 256.296 1.853 10 10 CDCEHN CCOC(=O)C[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000859188965 746927390 /nfs/dbraw/zinc/92/73/90/746927390.db2.gz IJALTOXQYILIMN-GFCCVEGCSA-N 0 3 267.325 1.138 10 10 CDCEHN CCOC(=O)C[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000859188965 746927405 /nfs/dbraw/zinc/92/74/05/746927405.db2.gz IJALTOXQYILIMN-GFCCVEGCSA-N 0 3 267.325 1.138 10 10 CDCEHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000812298227 746959013 /nfs/dbraw/zinc/95/90/13/746959013.db2.gz JBSCOWVQNHZYHO-RISCZKNCSA-N 0 3 279.336 1.429 10 10 CDCEHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000812298227 746959025 /nfs/dbraw/zinc/95/90/25/746959025.db2.gz JBSCOWVQNHZYHO-RISCZKNCSA-N 0 3 279.336 1.429 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@H]2CCCN(C)C2=O)cc1 ZINC000835043300 748359470 /nfs/dbraw/zinc/35/94/70/748359470.db2.gz OXDXEKHERCUYOK-LEXSJLIMSA-N 0 3 287.407 1.976 10 10 CDCEHN Nc1ccc(CCNC(=O)N2CCN3CCC2CC3)cc1 ZINC000841960201 748502197 /nfs/dbraw/zinc/50/21/97/748502197.db2.gz XNQPBLOHUNSECK-UHFFFAOYSA-N 0 3 288.395 1.301 10 10 CDCEHN CCN1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)CC1=O ZINC000835055717 748552936 /nfs/dbraw/zinc/55/29/36/748552936.db2.gz YCMNIRKIQUGLQR-NFAHFFEMSA-N 0 3 287.407 1.976 10 10 CDCEHN CCN(CC)c1ccc(CNC[C@H](O)[C@H](C)O)cc1F ZINC000865738087 748618249 /nfs/dbraw/zinc/61/82/49/748618249.db2.gz BYCQAAIFMTWCHV-NHYWBVRUSA-N 0 3 284.375 1.503 10 10 CDCEHN Cc1cc(O)c(CN2CCOC3(CNC3)C2)cc1C ZINC000853248734 927992851 /nfs/dbraw/zinc/99/28/51/927992851.db2.gz JMTYUKRTLGGXTM-UHFFFAOYSA-N 0 3 262.353 1.183 10 10 CDCEHN CC[C@@H]([NH2+]CCOCCCO)c1ccccc1[O-] ZINC001117139111 937498929 /nfs/dbraw/zinc/49/89/29/937498929.db2.gz DTCNOKWIIAVWNM-CYBMUJFWSA-N 0 3 253.342 1.832 10 10 CDCEHN CCn1nc2c(cc1=O)CN(Cc1cccc(C)c1O)CC2 ZINC000375827859 391199813 /nfs/dbraw/zinc/19/98/13/391199813.db2.gz BXRDOVIJXXJVCQ-UHFFFAOYSA-N 0 3 299.374 1.836 10 10 CDCEHN CC[C@@H](O)CN1CCN(Cc2ccccc2O)CC1 ZINC000179572983 391211222 /nfs/dbraw/zinc/21/12/22/391211222.db2.gz QRXPDMFBOVICGB-CQSZACIVSA-N 0 3 264.369 1.281 10 10 CDCEHN CNCc1cc(F)c(N2CCO[C@@H](C)C2)c(F)c1 ZINC000062709195 522114417 /nfs/dbraw/zinc/11/44/17/522114417.db2.gz QFIDIUQPOJFSMY-VIFPVBQESA-N 0 3 256.296 1.909 10 10 CDCEHN COc1cc([O-])c(C[N@H+](C)CCCCO)cc1OC ZINC000276679582 522769795 /nfs/dbraw/zinc/76/97/95/522769795.db2.gz QFGNPDKTQGNNNR-UHFFFAOYSA-N 0 3 269.341 1.614 10 10 CDCEHN COc1cc([O-])c(C[N@@H+](C)CCCCO)cc1OC ZINC000276679582 522769806 /nfs/dbraw/zinc/76/98/06/522769806.db2.gz QFGNPDKTQGNNNR-UHFFFAOYSA-N 0 3 269.341 1.614 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000769147909 576334688 /nfs/dbraw/zinc/33/46/88/576334688.db2.gz HOUAMJOVJGSTNA-NSHDSACASA-N 0 3 278.352 1.631 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000769147909 576334689 /nfs/dbraw/zinc/33/46/89/576334689.db2.gz HOUAMJOVJGSTNA-NSHDSACASA-N 0 3 278.352 1.631 10 10 CDCEHN C[C@H]1C[C@@H](N[C@H]2CNOC2)c2c1c(F)ccc2O ZINC000925870631 617927931 /nfs/dbraw/zinc/92/79/31/617927931.db2.gz ZEFBLQYKTCBNAU-OYNCUSHFSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@H]1C[C@@H]([NH2+][C@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925870631 617927944 /nfs/dbraw/zinc/92/79/44/617927944.db2.gz ZEFBLQYKTCBNAU-OYNCUSHFSA-N 0 3 252.289 1.573 10 10 CDCEHN COc1cccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)c1O ZINC000925326456 621553663 /nfs/dbraw/zinc/55/36/63/621553663.db2.gz YOYQNRORBBSYLO-JQWIXIFHSA-N 0 3 293.367 1.293 10 10 CDCEHN Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000927141478 621834696 /nfs/dbraw/zinc/83/46/96/621834696.db2.gz AVHIFUSYQQSBQB-DGCLKSJQSA-N 0 3 284.363 1.655 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000789766889 751345010 /nfs/dbraw/zinc/34/50/10/751345010.db2.gz CCJSZMDTEOKJPO-MRXNPFEDSA-N 0 3 290.363 1.503 10 10 CDCEHN CCOc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000789766889 751345020 /nfs/dbraw/zinc/34/50/20/751345020.db2.gz CCJSZMDTEOKJPO-MRXNPFEDSA-N 0 3 290.363 1.503 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000817978008 751758820 /nfs/dbraw/zinc/75/88/20/751758820.db2.gz TVEHEGJKPGVKMD-BBBLOLIVSA-N 0 3 266.341 1.565 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000724612930 752271259 /nfs/dbraw/zinc/27/12/59/752271259.db2.gz NIVRTVXTIUSHGP-BHPKHCPMSA-N 0 3 275.348 1.773 10 10 CDCEHN CCN1CCO[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000252731096 749570728 /nfs/dbraw/zinc/57/07/28/749570728.db2.gz OGNIRRIUDPYBMT-CHWSQXEVSA-N 0 3 264.369 1.764 10 10 CDCEHN CCON(CC)C(=O)CNCc1cc(OC)ccc1O ZINC000862453393 749623051 /nfs/dbraw/zinc/62/30/51/749623051.db2.gz UOVPICPWTNQZFO-UHFFFAOYSA-N 0 3 282.340 1.290 10 10 CDCEHN COc1cccc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850369660 749962474 /nfs/dbraw/zinc/96/24/74/749962474.db2.gz WYWCUOLIFLLETB-ZYHUDNBSSA-N 0 3 299.392 1.456 10 10 CDCEHN CN(Cc1ccccc1O)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844308330 750245339 /nfs/dbraw/zinc/24/53/39/750245339.db2.gz XKBPUENOAYKVMC-CYBMUJFWSA-N 0 3 276.336 1.807 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000850343484 750398308 /nfs/dbraw/zinc/39/83/08/750398308.db2.gz UBTMDXVRTZIBQI-XHDPSFHLSA-N 0 3 281.352 1.542 10 10 CDCEHN OC[C@H]1C=CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000931700009 750434995 /nfs/dbraw/zinc/43/49/95/750434995.db2.gz JQLPOEHNEFVINI-MRXNPFEDSA-N 0 3 274.364 1.256 10 10 CDCEHN COc1cccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840977552 750801741 /nfs/dbraw/zinc/80/17/41/750801741.db2.gz WCEQGZXRIUHYOF-CYBMUJFWSA-N 0 3 292.379 1.890 10 10 CDCEHN COc1cccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000840977552 750801742 /nfs/dbraw/zinc/80/17/42/750801742.db2.gz WCEQGZXRIUHYOF-CYBMUJFWSA-N 0 3 292.379 1.890 10 10 CDCEHN O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1ccccc1[O-] ZINC000714362180 750917521 /nfs/dbraw/zinc/91/75/21/750917521.db2.gz DYBXGWCTMKMAET-GFCCVEGCSA-N 0 3 269.366 1.449 10 10 CDCEHN CN1C[C@@H](CC[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000723590204 751089397 /nfs/dbraw/zinc/08/93/97/751089397.db2.gz ULRSJAWJHSSQOE-JTQLQIEISA-N 0 3 266.316 1.489 10 10 CDCEHN CN(Cc1ccccc1O)C(=O)C(N)C(F)(F)F ZINC000705556481 752659331 /nfs/dbraw/zinc/65/93/31/752659331.db2.gz PGNWDRRNLANJKH-VIFPVBQESA-N 0 3 262.231 1.240 10 10 CDCEHN COCCN(Cc1cc(C)cc(OC)c1O)[C@H]1CCOC1 ZINC000782962301 753038832 /nfs/dbraw/zinc/03/88/32/753038832.db2.gz NQGGIVXWISDUSJ-AWEZNQCLSA-N 0 3 295.379 1.947 10 10 CDCEHN CCS(=O)(=O)C1(CNCc2ccc(N(C)C)cc2)CC1 ZINC000703547752 753234410 /nfs/dbraw/zinc/23/44/10/753234410.db2.gz VKQHTCPNFZUHAE-UHFFFAOYSA-N 0 3 296.436 1.810 10 10 CDCEHN CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CN2CCC1CC2 ZINC000312314814 753637456 /nfs/dbraw/zinc/63/74/56/753637456.db2.gz FQYKDQBQHTYGMI-OAHLLOKOSA-N 0 3 273.380 1.364 10 10 CDCEHN CN(C)c1cc(F)c(CNC2CC(CC(N)=O)C2)cc1F ZINC000922516147 921644591 /nfs/dbraw/zinc/64/45/91/921644591.db2.gz UMWJYUTZXDTQCM-UHFFFAOYSA-N 0 3 297.349 1.774 10 10 CDCEHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC001119517374 937727326 /nfs/dbraw/zinc/72/73/26/937727326.db2.gz SGJIPPCNCUKKPY-GFCCVEGCSA-N 0 3 283.393 1.758 10 10 CDCEHN CCOc1cccc(C[N@H+](C)CC2(CO)CC2)c1[O-] ZINC000188950989 357956236 /nfs/dbraw/zinc/95/62/36/357956236.db2.gz WMRQXUBSYZRUME-UHFFFAOYSA-N 0 3 265.353 1.995 10 10 CDCEHN CCOc1cccc(C[N@@H+](C)CC2(CO)CC2)c1[O-] ZINC000188950989 357956239 /nfs/dbraw/zinc/95/62/39/357956239.db2.gz WMRQXUBSYZRUME-UHFFFAOYSA-N 0 3 265.353 1.995 10 10 CDCEHN Cc1cc(O)c(CN2CCN3CCOC[C@@H]3C2)cc1C ZINC000371888997 370427695 /nfs/dbraw/zinc/42/76/95/370427695.db2.gz UJAURXYQEIUFLW-HNNXBMFYSA-N 0 3 276.380 1.525 10 10 CDCEHN CCOc1cccc(C[NH2+]CCNC(C)=O)c1[O-] ZINC000020148842 171036609 /nfs/dbraw/zinc/03/66/09/171036609.db2.gz MPWRUFICZYZBCK-UHFFFAOYSA-N 0 3 252.314 1.017 10 10 CDCEHN CC[C@@H](C)N(Cc1ccc(N(C)C)cc1)C(=O)CN ZINC000076678740 177057120 /nfs/dbraw/zinc/05/71/20/177057120.db2.gz BMAJBHDFUSDLBE-GFCCVEGCSA-N 0 3 263.385 1.838 10 10 CDCEHN CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(O)c1[O-] ZINC000126406900 260351656 /nfs/dbraw/zinc/35/16/56/260351656.db2.gz BKPFEPQCWAZKPM-JTQLQIEISA-N 0 3 264.325 1.122 10 10 CDCEHN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccc(O)c1[O-] ZINC000126406900 260351657 /nfs/dbraw/zinc/35/16/57/260351657.db2.gz BKPFEPQCWAZKPM-JTQLQIEISA-N 0 3 264.325 1.122 10 10 CDCEHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126474263 260353072 /nfs/dbraw/zinc/35/30/72/260353072.db2.gz BHMBECZJAZBNOF-LLVKDONJSA-N 0 3 278.352 1.654 10 10 CDCEHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126474263 260353074 /nfs/dbraw/zinc/35/30/74/260353074.db2.gz BHMBECZJAZBNOF-LLVKDONJSA-N 0 3 278.352 1.654 10 10 CDCEHN CCN1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226585260 262379402 /nfs/dbraw/zinc/37/94/02/262379402.db2.gz DXSRNAYUOKRLON-NSHDSACASA-N 0 3 252.333 1.963 10 10 CDCEHN CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000179570837 329209775 /nfs/dbraw/zinc/20/97/75/329209775.db2.gz KRKJZZOXNINQCL-INIZCTEOSA-N 0 3 289.423 1.604 10 10 CDCEHN CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000179570837 329209776 /nfs/dbraw/zinc/20/97/76/329209776.db2.gz KRKJZZOXNINQCL-INIZCTEOSA-N 0 3 289.423 1.604 10 10 CDCEHN C[C@@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000277646481 334816260 /nfs/dbraw/zinc/81/62/60/334816260.db2.gz DIVDZHUXQMUANR-MWLCHTKSSA-N 0 3 265.309 1.636 10 10 CDCEHN CCCN(CCC)c1ccc(CNC[C@@H](O)CO)cc1 ZINC000276842687 521651358 /nfs/dbraw/zinc/65/13/58/521651358.db2.gz YWJAQIHOQMIDDF-MRXNPFEDSA-N 0 3 280.412 1.756 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000071264709 522423611 /nfs/dbraw/zinc/42/36/11/522423611.db2.gz KRWZMSONFIPEKQ-ZJUUUORDSA-N 0 3 255.314 1.059 10 10 CDCEHN COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000127932339 522784958 /nfs/dbraw/zinc/78/49/58/522784958.db2.gz BFQHONAQNVXLCI-HUUCEWRRSA-N 0 3 295.379 1.381 10 10 CDCEHN COC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000127932339 522784966 /nfs/dbraw/zinc/78/49/66/522784966.db2.gz BFQHONAQNVXLCI-HUUCEWRRSA-N 0 3 295.379 1.381 10 10 CDCEHN CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CCCO1 ZINC000096810771 523185068 /nfs/dbraw/zinc/18/50/68/523185068.db2.gz MOCLLNDNRJECOB-NSHDSACASA-N 0 3 265.309 1.732 10 10 CDCEHN CN1C[C@@H](NCc2ccc3c(c2)CCO3)CCC1=O ZINC000084063090 524012774 /nfs/dbraw/zinc/01/27/74/524012774.db2.gz QGLGQISJTCIVGQ-ZDUSSCGKSA-N 0 3 260.337 1.332 10 10 CDCEHN CN(C)CCONC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897876476 621181432 /nfs/dbraw/zinc/18/14/32/621181432.db2.gz MJJQNMPQMKBSQK-UHFFFAOYSA-N 0 3 296.348 1.536 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@@]2(CO)CCOC2)cc1 ZINC000835048693 753955074 /nfs/dbraw/zinc/95/50/74/753955074.db2.gz XSKMKWWRQYGGBL-QDLOVBKTSA-N 0 3 276.380 1.507 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1[O-] ZINC000862426754 754920289 /nfs/dbraw/zinc/92/02/89/754920289.db2.gz NHVNTBJVDXWRQQ-AWEZNQCLSA-N 0 3 285.771 1.937 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1[O-] ZINC000862426754 754920297 /nfs/dbraw/zinc/92/02/97/754920297.db2.gz NHVNTBJVDXWRQQ-AWEZNQCLSA-N 0 3 285.771 1.937 10 10 CDCEHN C[C@@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284978 754999595 /nfs/dbraw/zinc/99/95/95/754999595.db2.gz XHFWNYQZIHVFJB-BXUZGUMPSA-N 0 3 251.301 2.000 10 10 CDCEHN C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827284978 754999597 /nfs/dbraw/zinc/99/95/97/754999597.db2.gz XHFWNYQZIHVFJB-BXUZGUMPSA-N 0 3 251.301 2.000 10 10 CDCEHN Cc1ccc(O)c([C@@H](C)N[C@H](CO)c2ccnn2C)c1 ZINC000858434729 756884732 /nfs/dbraw/zinc/88/47/32/756884732.db2.gz NUMPMAXEDCUZMY-DGCLKSJQSA-N 0 3 275.352 1.818 10 10 CDCEHN C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723575378 757818331 /nfs/dbraw/zinc/81/83/31/757818331.db2.gz FXUUOYUQXPSFEH-VXGBXAGGSA-N 0 3 262.353 1.911 10 10 CDCEHN COc1cccc(O)c1CN[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000850368413 758626660 /nfs/dbraw/zinc/62/66/60/758626660.db2.gz MKMXPYUCJOSNCV-WDEREUQCSA-N 0 3 299.392 1.456 10 10 CDCEHN CCS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000693532860 896529249 /nfs/dbraw/zinc/52/92/49/896529249.db2.gz LBQKMISSXNOMKQ-UHFFFAOYSA-N 0 3 287.356 1.588 10 10 CDCEHN CNC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC001169079382 927707926 /nfs/dbraw/zinc/70/79/26/927707926.db2.gz NSZKNXRJVWLDPT-ZDUSSCGKSA-N 0 3 276.384 1.256 10 10 CDCEHN Oc1ccc(Br)cc1CNC1COC1 ZINC000236615299 363279583 /nfs/dbraw/zinc/27/95/83/363279583.db2.gz CFLCLCUOAUXZRY-UHFFFAOYSA-N 0 3 258.115 1.643 10 10 CDCEHN COc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000180084785 357242387 /nfs/dbraw/zinc/24/23/87/357242387.db2.gz VIKHJVSBHSMYMP-CHWSQXEVSA-N 0 3 294.395 1.288 10 10 CDCEHN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000189099652 357971572 /nfs/dbraw/zinc/97/15/72/357971572.db2.gz YWFLTYIJESUQIY-IUCAKERBSA-N 0 3 253.298 1.634 10 10 CDCEHN CN(C)C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272258076 365158227 /nfs/dbraw/zinc/15/82/27/365158227.db2.gz JPRPAYOZRQWGMR-LLVKDONJSA-N 0 3 252.333 1.915 10 10 CDCEHN CN(C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272258076 365158234 /nfs/dbraw/zinc/15/82/34/365158234.db2.gz JPRPAYOZRQWGMR-LLVKDONJSA-N 0 3 252.333 1.915 10 10 CDCEHN C[NH+](C)C[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272258076 365158241 /nfs/dbraw/zinc/15/82/41/365158241.db2.gz JPRPAYOZRQWGMR-LLVKDONJSA-N 0 3 252.333 1.915 10 10 CDCEHN Oc1cc2c(cc1CN1C[C@H](O)C3(CC3)C1)OCO2 ZINC000375286074 370802097 /nfs/dbraw/zinc/80/20/97/370802097.db2.gz HGPJJJOKSRVBSH-ZDUSSCGKSA-N 0 3 263.293 1.078 10 10 CDCEHN Cc1noc(CC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000297134432 371452326 /nfs/dbraw/zinc/45/23/26/371452326.db2.gz ZBJOKNXBEQOOQX-NSHDSACASA-N 0 3 259.309 1.903 10 10 CDCEHN CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000020125252 171008507 /nfs/dbraw/zinc/00/85/07/171008507.db2.gz RBRVMNQANLBDJE-SNVBAGLBSA-N 0 3 266.341 1.521 10 10 CDCEHN C[C@@H](CC(=O)N(C)C)NCc1ccc2c(c1)CCN2C ZINC000312964675 260224842 /nfs/dbraw/zinc/22/48/42/260224842.db2.gz UNOMNWKCKGEEHZ-LBPRGKRZSA-N 0 3 275.396 1.635 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000091667035 260266623 /nfs/dbraw/zinc/26/66/23/260266623.db2.gz OAAHJUIPUSSOPU-YPMHNXCESA-N 0 3 280.368 1.382 10 10 CDCEHN CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126271765 327147873 /nfs/dbraw/zinc/14/78/73/327147873.db2.gz VUHDIRQOSDLEPY-SNVBAGLBSA-N 0 3 264.325 1.169 10 10 CDCEHN CC[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000126271765 327147875 /nfs/dbraw/zinc/14/78/75/327147875.db2.gz VUHDIRQOSDLEPY-SNVBAGLBSA-N 0 3 264.325 1.169 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000094618339 525550395 /nfs/dbraw/zinc/55/03/95/525550395.db2.gz UMSWQHHKKCBMHV-GXSJLCMTSA-N 0 3 266.316 1.803 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCNC1=O ZINC000772799087 575754900 /nfs/dbraw/zinc/75/49/00/575754900.db2.gz WRSZESBCVPXDJA-ZDUSSCGKSA-N 0 3 262.353 1.883 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCNC1=O ZINC000772799087 575754901 /nfs/dbraw/zinc/75/49/01/575754901.db2.gz WRSZESBCVPXDJA-ZDUSSCGKSA-N 0 3 262.353 1.883 10 10 CDCEHN CC[C@@H](C[NH2+]Cc1c(C)cccc1[O-])C(=O)OC ZINC000895127225 619322901 /nfs/dbraw/zinc/32/29/01/619322901.db2.gz GVDXPQSUFNBXDQ-NSHDSACASA-N 0 3 251.326 1.989 10 10 CDCEHN O=C(c1c([O-])c(O)ccc1F)N1CC([NH+]2CCCC2)C1 ZINC000898603941 621807681 /nfs/dbraw/zinc/80/76/81/621807681.db2.gz RQNGMNIYUBTABU-UHFFFAOYSA-N 0 3 280.299 1.157 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(F)ccc1[O-] ZINC000927146500 621865750 /nfs/dbraw/zinc/86/57/50/621865750.db2.gz OLBVTDZYLPXSEY-ONGXEEELSA-N 0 3 290.342 1.868 10 10 CDCEHN C[NH+](C)CCNC(=S)NCc1c([O-])cccc1F ZINC000905662360 626906110 /nfs/dbraw/zinc/90/61/10/626906110.db2.gz VDFKVQHVCISUDK-UHFFFAOYSA-N 0 3 271.361 1.057 10 10 CDCEHN CON1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000905763186 626968423 /nfs/dbraw/zinc/96/84/23/626968423.db2.gz BRKYJLQXTDLEOF-RISCZKNCSA-N 0 3 277.368 1.566 10 10 CDCEHN C[NH+]1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000913882138 630859779 /nfs/dbraw/zinc/85/97/79/630859779.db2.gz RDSCPUCWIKIFFP-UHFFFAOYSA-N 0 3 281.331 1.425 10 10 CDCEHN COCc1nc(CNCc2ccc3c(c2)CCO3)n[nH]1 ZINC000850361244 769839246 /nfs/dbraw/zinc/83/92/46/769839246.db2.gz WOMXSWZHSDGMCI-UHFFFAOYSA-N 0 3 274.324 1.176 10 10 CDCEHN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)NC ZINC000835055355 770348769 /nfs/dbraw/zinc/34/87/69/770348769.db2.gz VCOTYDJEJQEPCM-XHPSBEMXSA-N 0 3 275.396 1.880 10 10 CDCEHN CN(C)c1ccc(/C=C/CN[C@H]2CCCN(C)C2=O)cc1 ZINC000835043331 771869505 /nfs/dbraw/zinc/86/95/05/771869505.db2.gz OXDXEKHERCUYOK-NBUZRDOWSA-N 0 3 287.407 1.976 10 10 CDCEHN CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccccc1[O-] ZINC000850508348 771929123 /nfs/dbraw/zinc/92/91/23/771929123.db2.gz MUHYQDRNPUJBDG-HOCLYGCPSA-N 0 3 295.379 1.601 10 10 CDCEHN CCON(C)C(=O)CNCc1cccc(CC)c1O ZINC000848919460 771953364 /nfs/dbraw/zinc/95/33/64/771953364.db2.gz LRLZDBSQOGWXKF-UHFFFAOYSA-N 0 3 266.341 1.454 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C2CC(C(N)=O)C2)c1[O-] ZINC000716791799 772050056 /nfs/dbraw/zinc/05/00/56/772050056.db2.gz YAXSCHDEJLFTAT-UHFFFAOYSA-N 0 3 284.743 1.408 10 10 CDCEHN O=C1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C1CCC1 ZINC000708694906 772090102 /nfs/dbraw/zinc/09/01/02/772090102.db2.gz DPGNRSVJLADDKV-CYBMUJFWSA-N 0 3 278.327 1.774 10 10 CDCEHN CCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCN(C)C1 ZINC000855359712 772585270 /nfs/dbraw/zinc/58/52/70/772585270.db2.gz AOMRZCMMYXPVRC-NSHDSACASA-N 0 3 278.352 1.572 10 10 CDCEHN CS(=O)(=O)[C@H]1C[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000922338520 772763082 /nfs/dbraw/zinc/76/30/82/772763082.db2.gz SQPBJIGHVOXVBF-HDJSIYSDSA-N 0 3 295.404 1.677 10 10 CDCEHN CN(C)C(=O)C1(NCc2cc(F)ccc2O)CC1 ZINC000840959499 772885525 /nfs/dbraw/zinc/88/55/25/772885525.db2.gz WWJAUMVAYPOZJL-UHFFFAOYSA-N 0 3 252.289 1.242 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)c([O-])c1 ZINC000927134500 773031528 /nfs/dbraw/zinc/03/15/28/773031528.db2.gz JAONYIROFPRKLU-NHYWBVRUSA-N 0 3 275.352 1.818 10 10 CDCEHN COc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)c1O ZINC000925326455 932874011 /nfs/dbraw/zinc/87/40/11/932874011.db2.gz YOYQNRORBBSYLO-CMPLNLGQSA-N 0 3 293.367 1.293 10 10 CDCEHN CCCC(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC001507169169 975363010 /nfs/dbraw/zinc/36/30/10/975363010.db2.gz YJOYFMLQTOKIHY-AWEZNQCLSA-N 0 3 294.395 1.370 10 10 CDCEHN CCOC(=O)C1(O)CCN(Cc2cc(C)ccc2O)CC1 ZINC000093596279 342425766 /nfs/dbraw/zinc/42/57/66/342425766.db2.gz LUQPMOYFMIHPSU-UHFFFAOYSA-N 0 3 293.363 1.591 10 10 CDCEHN C[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000237441123 359772574 /nfs/dbraw/zinc/77/25/74/359772574.db2.gz LULRUWJZSNBBNP-DGCLKSJQSA-N 0 3 291.370 1.508 10 10 CDCEHN C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134240380 361542753 /nfs/dbraw/zinc/54/27/53/361542753.db2.gz BMELIFHWLYZGPC-WPRPVWTQSA-N 0 3 251.282 1.388 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000527956890 393006008 /nfs/dbraw/zinc/00/60/08/393006008.db2.gz RCOMPVMBZPMFMT-GDLCADMTSA-N 0 3 251.326 1.583 10 10 CDCEHN Nc1ccc(NC(=O)CCCN2CCC(O)CC2)cc1 ZINC000022174383 171369816 /nfs/dbraw/zinc/36/98/16/171369816.db2.gz PKRKSECGIOJYBJ-UHFFFAOYSA-N 0 3 277.368 1.444 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038044340 174052239 /nfs/dbraw/zinc/05/22/39/174052239.db2.gz CKRUAZZTPUJABL-NSHDSACASA-N 0 3 251.326 1.917 10 10 CDCEHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCC[C@H]2C1 ZINC000181048119 261881999 /nfs/dbraw/zinc/88/19/99/261881999.db2.gz LTJJTAZAQZPNJR-BPJJOFIESA-N 0 3 288.347 1.418 10 10 CDCEHN C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(O)c3[O-])C[C@@]2(C)C1 ZINC000913280500 630423470 /nfs/dbraw/zinc/42/34/70/630423470.db2.gz DMSMPKNMCPERCP-IYBDPMFKSA-N 0 3 290.363 1.512 10 10 CDCEHN C[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(O)c3[O-])C[C@@]2(C)C1 ZINC000913280500 630423474 /nfs/dbraw/zinc/42/34/74/630423474.db2.gz DMSMPKNMCPERCP-IYBDPMFKSA-N 0 3 290.363 1.512 10 10 CDCEHN NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779001967 773879093 /nfs/dbraw/zinc/87/90/93/773879093.db2.gz GCWHAHQBNCBTGY-LBPRGKRZSA-N 0 3 266.316 1.761 10 10 CDCEHN NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779001967 773879095 /nfs/dbraw/zinc/87/90/95/773879095.db2.gz GCWHAHQBNCBTGY-LBPRGKRZSA-N 0 3 266.316 1.761 10 10 CDCEHN C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccccc1[O-] ZINC000825130418 773896042 /nfs/dbraw/zinc/89/60/42/773896042.db2.gz XVUUEMUDINOLRY-AAEUAGOBSA-N 0 3 251.326 1.364 10 10 CDCEHN C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccccc1[O-] ZINC000825130418 773896038 /nfs/dbraw/zinc/89/60/38/773896038.db2.gz XVUUEMUDINOLRY-AAEUAGOBSA-N 0 3 251.326 1.364 10 10 CDCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCC1 ZINC000929752870 773905061 /nfs/dbraw/zinc/90/50/61/773905061.db2.gz GONMKVIJEHEHDF-OAHLLOKOSA-N 0 3 279.380 1.880 10 10 CDCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCC1 ZINC000929752870 773905073 /nfs/dbraw/zinc/90/50/73/773905073.db2.gz GONMKVIJEHEHDF-OAHLLOKOSA-N 0 3 279.380 1.880 10 10 CDCEHN COc1cccc(CN2CC[C@](O)(C(F)F)C2)c1O ZINC000824725946 773930811 /nfs/dbraw/zinc/93/08/11/773930811.db2.gz APCACHKLDYDMKK-CYBMUJFWSA-N 0 3 273.279 1.603 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1ccccc1[O-] ZINC000724621300 774562901 /nfs/dbraw/zinc/56/29/01/774562901.db2.gz SQFONFLUGLOAIT-JUFZMCDQSA-N 0 3 263.337 1.847 10 10 CDCEHN COc1cccc(O)c1CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501590 774604649 /nfs/dbraw/zinc/60/46/49/774604649.db2.gz PPOVUYHYVMGJKE-CJNGLKHVSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc([O-])c1C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501590 774604663 /nfs/dbraw/zinc/60/46/63/774604663.db2.gz PPOVUYHYVMGJKE-CJNGLKHVSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501590 774604682 /nfs/dbraw/zinc/60/46/82/774604682.db2.gz PPOVUYHYVMGJKE-CJNGLKHVSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545588 774835950 /nfs/dbraw/zinc/83/59/50/774835950.db2.gz XZUMHKJODFSZJF-NXEZZACHSA-N 0 3 263.293 1.006 10 10 CDCEHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545588 774835951 /nfs/dbraw/zinc/83/59/51/774835951.db2.gz XZUMHKJODFSZJF-NXEZZACHSA-N 0 3 263.293 1.006 10 10 CDCEHN Cc1cc([O-])c(CN(C)C[C@@H](O)C[NH3+])c(Cl)c1 ZINC000841091717 774862183 /nfs/dbraw/zinc/86/21/83/774862183.db2.gz DLQWKLYGKUIHNV-VIFPVBQESA-N 0 3 258.749 1.105 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000827364954 774992396 /nfs/dbraw/zinc/99/23/96/774992396.db2.gz IFMGXPHSKVLIAU-OLZOCXBDSA-N 0 3 251.301 1.924 10 10 CDCEHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000827545104 775440078 /nfs/dbraw/zinc/44/00/78/775440078.db2.gz SQIBPXLJELSZDK-ZDUSSCGKSA-N 0 3 295.358 1.719 10 10 CDCEHN C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(F)cc1[O-] ZINC000863541765 775598917 /nfs/dbraw/zinc/59/89/17/775598917.db2.gz PELHBNRJWCRIIU-JTQLQIEISA-N 0 3 268.332 1.690 10 10 CDCEHN CCCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OC ZINC000808757960 775699201 /nfs/dbraw/zinc/69/92/01/775699201.db2.gz WWAYJKNOWYWCQU-INIZCTEOSA-N 0 3 295.379 1.918 10 10 CDCEHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(=O)OC ZINC000808757960 775699207 /nfs/dbraw/zinc/69/92/07/775699207.db2.gz WWAYJKNOWYWCQU-INIZCTEOSA-N 0 3 295.379 1.918 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C2(CC(N)=O)CCC2)c1[O-] ZINC000789553560 775977046 /nfs/dbraw/zinc/97/70/46/775977046.db2.gz JVQSCEAMIVDAJV-UHFFFAOYSA-N 0 3 298.770 1.942 10 10 CDCEHN O=C1O[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CN1C1CC1 ZINC000848573881 776643292 /nfs/dbraw/zinc/64/32/92/776643292.db2.gz KTUHGWJOJJNBTR-STQMWFEESA-N 0 3 288.347 1.952 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCCC[NH2+]C2)c1 ZINC000817983686 777665349 /nfs/dbraw/zinc/66/53/49/777665349.db2.gz IGHUVGPRDZUJMF-AAEUAGOBSA-N 0 3 292.379 1.972 10 10 CDCEHN CN(C)c1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848577119 777848216 /nfs/dbraw/zinc/84/82/16/777848216.db2.gz AEDSECIIIYXXJA-HNNXBMFYSA-N 0 3 289.379 1.825 10 10 CDCEHN C[C@H]1[C@H](NC(=O)NCc2c([O-])cccc2F)CC[N@@H+]1C ZINC000925346023 777853807 /nfs/dbraw/zinc/85/38/07/777853807.db2.gz BBHYKLHNALNHEX-JOYOIKCWSA-N 0 3 281.331 1.423 10 10 CDCEHN C[C@H]1[C@H](NC(=O)NCc2c([O-])cccc2F)CC[N@H+]1C ZINC000925346023 777853810 /nfs/dbraw/zinc/85/38/10/777853810.db2.gz BBHYKLHNALNHEX-JOYOIKCWSA-N 0 3 281.331 1.423 10 10 CDCEHN Nc1ccc(-n2cc([C@@H](N)C3CCOCC3)nn2)cc1 ZINC000864620024 779462045 /nfs/dbraw/zinc/46/20/45/779462045.db2.gz LIZUVJBQKUXUNV-AWEZNQCLSA-N 0 3 273.340 1.276 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724564009 779496308 /nfs/dbraw/zinc/49/63/08/779496308.db2.gz SQFONFLUGLOAIT-BLTAXRJOSA-N 0 3 263.337 1.847 10 10 CDCEHN C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000404150533 897085853 /nfs/dbraw/zinc/08/58/53/897085853.db2.gz NCTBCYAXEUKWES-SMDDNHRTSA-N 0 3 251.326 1.584 10 10 CDCEHN CN1CCN(CCCCOc2ccc(N)cc2)CC1 ZINC000019772086 342138772 /nfs/dbraw/zinc/13/87/72/342138772.db2.gz PXXVISLAKNFUBY-UHFFFAOYSA-N 0 3 263.385 1.675 10 10 CDCEHN Cc1cccc(C[NH2+]C[C@H]2CN(C)CCO2)c1[O-] ZINC000124810173 360402427 /nfs/dbraw/zinc/40/24/27/360402427.db2.gz YGIIGEXMARLWIA-ZDUSSCGKSA-N 0 3 250.342 1.121 10 10 CDCEHN COc1ccc([O-])c(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000125042641 360423526 /nfs/dbraw/zinc/42/35/26/360423526.db2.gz GCQKXEMMSSLEQG-UHFFFAOYSA-N 0 3 292.379 1.938 10 10 CDCEHN COc1ccc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000362240812 391716535 /nfs/dbraw/zinc/71/65/35/391716535.db2.gz WHFCSRDUGWEMGU-MPKXVKKWSA-N 0 3 290.363 1.500 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(O)cc1[O-] ZINC000038060431 174070683 /nfs/dbraw/zinc/07/06/83/174070683.db2.gz MXGPZCCTJGJCOW-MWLCHTKSSA-N 0 3 253.298 1.164 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000282459057 279028298 /nfs/dbraw/zinc/02/82/98/279028298.db2.gz SZMKBCWDAFCEHZ-GXFFZTMASA-N 0 3 260.337 1.378 10 10 CDCEHN COC[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1[O-])OC ZINC000230672194 333320555 /nfs/dbraw/zinc/32/05/55/333320555.db2.gz WLDKQKAHHFOAAD-CMPLNLGQSA-N 0 3 269.341 1.713 10 10 CDCEHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000249291145 334331561 /nfs/dbraw/zinc/33/15/61/334331561.db2.gz KRKFVWAVPJLNSY-QWRGUYRKSA-N 0 3 276.336 1.407 10 10 CDCEHN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000249291145 334331563 /nfs/dbraw/zinc/33/15/63/334331563.db2.gz KRKFVWAVPJLNSY-QWRGUYRKSA-N 0 3 276.336 1.407 10 10 CDCEHN COC[C@@H](O)C[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000071268447 522421734 /nfs/dbraw/zinc/42/17/34/522421734.db2.gz YKTLNTBDRDQYOI-LBPRGKRZSA-N 0 3 261.321 1.642 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN1CCOC[C@@H](O)C1 ZINC000840950610 617731259 /nfs/dbraw/zinc/73/12/59/617731259.db2.gz LYAHUTXFZBZHTG-HNNXBMFYSA-N 0 3 264.369 1.254 10 10 CDCEHN CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccccc1[O-] ZINC000927134160 621774498 /nfs/dbraw/zinc/77/44/98/621774498.db2.gz HFTZEDVEXZENNU-SWLSCSKDSA-N 0 3 275.352 1.900 10 10 CDCEHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000905741114 626955830 /nfs/dbraw/zinc/95/58/30/626955830.db2.gz CDICOTDQMXARLH-QMTHXVAHSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCO1 ZINC000905741114 626955834 /nfs/dbraw/zinc/95/58/34/626955834.db2.gz CDICOTDQMXARLH-QMTHXVAHSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000905741114 626955837 /nfs/dbraw/zinc/95/58/37/626955837.db2.gz CDICOTDQMXARLH-QMTHXVAHSA-N 0 3 279.336 1.429 10 10 CDCEHN COCC(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001715780739 1179805105 /nfs/dbraw/zinc/80/51/05/1179805105.db2.gz OKVDNRQEOWJZMN-PLNGDYQASA-N 0 3 292.379 1.412 10 10 CDCEHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000847405445 782297917 /nfs/dbraw/zinc/29/79/17/782297917.db2.gz KMZMRLKBHNUANJ-GFCCVEGCSA-N 0 3 293.386 1.850 10 10 CDCEHN CN(C)c1ccc(/C=C\CN[C@]2(CO)CCOC2)cc1 ZINC000835048695 782399707 /nfs/dbraw/zinc/39/97/07/782399707.db2.gz XSKMKWWRQYGGBL-QGZUEGPWSA-N 0 3 276.380 1.507 10 10 CDCEHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)N1 ZINC000840978040 781606297 /nfs/dbraw/zinc/60/62/97/781606297.db2.gz ZJGRZJRQAYAQDC-CYBMUJFWSA-N 0 3 262.353 1.881 10 10 CDCEHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)N1 ZINC000840978040 781606307 /nfs/dbraw/zinc/60/63/07/781606307.db2.gz ZJGRZJRQAYAQDC-CYBMUJFWSA-N 0 3 262.353 1.881 10 10 CDCEHN CC(C)(C[NH2+]Cc1ccccc1[O-])CS(C)(=O)=O ZINC000693015901 894713073 /nfs/dbraw/zinc/71/30/73/894713073.db2.gz GHUYDTNMAIVNTK-UHFFFAOYSA-N 0 3 271.382 1.553 10 10 CDCEHN C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724564012 896921573 /nfs/dbraw/zinc/92/15/73/896921573.db2.gz SQFONFLUGLOAIT-YFCNSXCBSA-N 0 3 263.337 1.847 10 10 CDCEHN COC[C@](C)(CO)NCc1ccc2c(c1)CCO2 ZINC000716860797 910702553 /nfs/dbraw/zinc/70/25/53/910702553.db2.gz LDGZKQVYOHRPIZ-AWEZNQCLSA-N 0 3 251.326 1.109 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000835046444 936714976 /nfs/dbraw/zinc/71/49/76/936714976.db2.gz JSAMOIBOLLWDGE-MEGKRXCUSA-N 0 3 276.380 1.193 10 10 CDCEHN CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1[O-] ZINC000700209898 922188664 /nfs/dbraw/zinc/18/86/64/922188664.db2.gz MHMIJKHOTRADDN-OCCSQVGLSA-N 0 3 264.369 1.764 10 10 CDCEHN CC(=O)NCCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001326292376 954303599 /nfs/dbraw/zinc/30/35/99/954303599.db2.gz JIFMFPNAWITWLX-UHFFFAOYSA-N 0 3 275.396 1.855 10 10 CDCEHN O=C1O[C@@H](CNCc2ccc3c(c2)CCO3)CN1C1CC1 ZINC000848577580 969183454 /nfs/dbraw/zinc/18/34/54/969183454.db2.gz HEVMCJQHJHTQIK-AWEZNQCLSA-N 0 3 288.347 1.694 10 10 CDCEHN COC[C@](C)(CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180829626 357290010 /nfs/dbraw/zinc/29/00/10/357290010.db2.gz XAFBKALWTGSORJ-ZDUSSCGKSA-N 0 3 257.305 1.408 10 10 CDCEHN CCN1CC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226585265 359702661 /nfs/dbraw/zinc/70/26/61/359702661.db2.gz DXSRNAYUOKRLON-LLVKDONJSA-N 0 3 252.333 1.963 10 10 CDCEHN CN1CCC(CC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000273204277 365479742 /nfs/dbraw/zinc/47/97/42/365479742.db2.gz LXYJCDYICNAQGC-UHFFFAOYSA-N 0 3 292.379 1.488 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCOC1)OCO2 ZINC000109546041 390642978 /nfs/dbraw/zinc/64/29/78/390642978.db2.gz MUZXCUKYDREYKC-JTQLQIEISA-N 0 3 251.282 1.390 10 10 CDCEHN COc1cccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O ZINC000120639177 412407893 /nfs/dbraw/zinc/40/78/93/412407893.db2.gz IALOJDNZRUGJCE-CHWSQXEVSA-N 0 3 294.395 1.288 10 10 CDCEHN C[C@H](O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000158603146 261168144 /nfs/dbraw/zinc/16/81/44/261168144.db2.gz YEXCWGLPNUYODU-JTQLQIEISA-N 0 3 279.336 1.714 10 10 CDCEHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000186111243 262080353 /nfs/dbraw/zinc/08/03/53/262080353.db2.gz RQUUDOWWVSSMRC-PWSUYJOCSA-N 0 3 295.358 1.986 10 10 CDCEHN COc1ccc(O)c([C@H](C)NC[C@H](O)C(F)(F)F)c1 ZINC000119994848 262180105 /nfs/dbraw/zinc/18/01/05/262180105.db2.gz XEXQSQXCMUTAMP-CPCISQLKSA-N 0 3 279.258 1.975 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000180010019 329214607 /nfs/dbraw/zinc/21/46/07/329214607.db2.gz DRVFXUBPPHTMDB-UHFFFAOYSA-N 0 3 276.315 1.960 10 10 CDCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279166650 521145783 /nfs/dbraw/zinc/14/57/83/521145783.db2.gz BHNBURQYEGQBFN-MRXNPFEDSA-N 0 3 290.363 1.503 10 10 CDCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279166650 521145791 /nfs/dbraw/zinc/14/57/91/521145791.db2.gz BHNBURQYEGQBFN-MRXNPFEDSA-N 0 3 290.363 1.503 10 10 CDCEHN CN(CCO)c1c(F)cc(CNC2CC2)cc1F ZINC000062711426 522886272 /nfs/dbraw/zinc/88/62/72/522886272.db2.gz PBDSNGUTANTKCQ-UHFFFAOYSA-N 0 3 256.296 1.645 10 10 CDCEHN COc1ccc(O)c([C@@H](C)N[C@H](C)CS(C)(=O)=O)c1 ZINC000081902213 524766207 /nfs/dbraw/zinc/76/62/07/524766207.db2.gz SKLFYDCUOLFKOY-NXEZZACHSA-N 0 3 287.381 1.485 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O)OCO2 ZINC000085979124 526336203 /nfs/dbraw/zinc/33/62/03/526336203.db2.gz FHOCKKQRHRUWJZ-JQWIXIFHSA-N 0 3 279.336 1.762 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCN(C)C2)c1[O-] ZINC000762791342 576672727 /nfs/dbraw/zinc/67/27/27/576672727.db2.gz QMBOZBYJFDFQNK-AWEZNQCLSA-N 0 3 284.787 1.510 10 10 CDCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2nnnn2C)c1 ZINC000756676569 576999686 /nfs/dbraw/zinc/99/96/86/576999686.db2.gz MFSLJAXNNRRICD-SNVBAGLBSA-N 0 3 261.329 1.117 10 10 CDCEHN C[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccccc1O ZINC000868363756 1164937667 /nfs/dbraw/zinc/93/76/67/1164937667.db2.gz PZKJWTRAQOZVOE-RYUDHWBXSA-N 0 3 277.368 1.847 10 10 CDCEHN CC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000872800259 1165481728 /nfs/dbraw/zinc/48/17/28/1165481728.db2.gz UXQTVCJDICXHTA-HNNXBMFYSA-N 0 3 291.347 1.619 10 10 CDCEHN CC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000872800259 1165481739 /nfs/dbraw/zinc/48/17/39/1165481739.db2.gz UXQTVCJDICXHTA-HNNXBMFYSA-N 0 3 291.347 1.619 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1(S(C)(=O)=O)CC1 ZINC000834799158 895869116 /nfs/dbraw/zinc/86/91/16/895869116.db2.gz WVTSEYKIVRRESZ-JQWIXIFHSA-N 0 3 295.404 1.935 10 10 CDCEHN CC[S@@](=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169087873 911785380 /nfs/dbraw/zinc/78/53/80/911785380.db2.gz AMMZXXVFJDIVCT-SFHVURJKSA-N 0 3 291.800 1.912 10 10 CDCEHN Cn1cnc(CCC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000842900097 918931298 /nfs/dbraw/zinc/93/12/98/918931298.db2.gz FJPBYMOOPZPCGQ-LBPRGKRZSA-N 0 3 272.352 1.730 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000842759447 937077556 /nfs/dbraw/zinc/07/75/56/937077556.db2.gz WRGGCMJBIQOUFS-INIZCTEOSA-N 0 3 295.379 1.668 10 10 CDCEHN COC[C@H]([NH2+]Cc1ccccc1[O-])C1CCOCC1 ZINC000783239524 937270310 /nfs/dbraw/zinc/27/03/10/937270310.db2.gz XVPMIZGXXNHSSK-AWEZNQCLSA-N 0 3 265.353 1.923 10 10 CDCEHN Cn1nccc1[C@@H](CO)N[C@H]1CCc2cccc(O)c21 ZINC000858435427 928862207 /nfs/dbraw/zinc/86/22/07/928862207.db2.gz IBLYVZLBOBZUCN-NWDGAFQWSA-N 0 3 273.336 1.436 10 10 CDCEHN COCCN(Cc1cc(OC)ccc1O)[C@H]1CCOC1 ZINC000787334819 929358496 /nfs/dbraw/zinc/35/84/96/929358496.db2.gz MGBJXVPJUWBIIV-ZDUSSCGKSA-N 0 3 281.352 1.638 10 10 CDCEHN Cc1ccc(O)c(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000846103824 931981301 /nfs/dbraw/zinc/98/13/01/931981301.db2.gz ZHFPTAKXAJXTBB-NVGCLXPQSA-N 0 3 251.351 1.406 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccccc1[O-] ZINC000927152432 933047754 /nfs/dbraw/zinc/04/77/54/933047754.db2.gz UPYMAPWZTIHXFG-MNOVXSKESA-N 0 3 272.352 1.729 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CCC1(O)CCC1 ZINC000929975329 933291640 /nfs/dbraw/zinc/29/16/40/933291640.db2.gz FLULKHRSTVVDGH-CQSZACIVSA-N 0 3 279.380 1.880 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CCC1(O)CCC1 ZINC000929975329 933291648 /nfs/dbraw/zinc/29/16/48/933291648.db2.gz FLULKHRSTVVDGH-CQSZACIVSA-N 0 3 279.380 1.880 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1CCC2(COC2)O1)c1ccccc1[O-] ZINC000931554320 933586785 /nfs/dbraw/zinc/58/67/85/933586785.db2.gz NUXUJBHALPPANC-RYUDHWBXSA-N 0 3 263.337 1.991 10 10 CDCEHN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(F)ccc1[O-] ZINC000718406942 934819425 /nfs/dbraw/zinc/81/94/25/934819425.db2.gz SLPBJLRNZNEHSX-SILCLGDVSA-N 0 3 266.316 1.836 10 10 CDCEHN C[C@@H]([NH2+]CCOCCCO)c1cc(F)ccc1[O-] ZINC001327891193 955099421 /nfs/dbraw/zinc/09/94/21/955099421.db2.gz RFNCLRCKWCVWCM-SNVBAGLBSA-N 0 3 257.305 1.581 10 10 CDCEHN CCC[N@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC001328835240 955499809 /nfs/dbraw/zinc/49/98/09/955499809.db2.gz VJWNWALTEVEQDW-UHFFFAOYSA-N 0 3 274.368 1.975 10 10 CDCEHN CCC[N@@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC001328835240 955499813 /nfs/dbraw/zinc/49/98/13/955499813.db2.gz VJWNWALTEVEQDW-UHFFFAOYSA-N 0 3 274.368 1.975 10 10 CDCEHN COc1cccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1O ZINC000245722016 361912638 /nfs/dbraw/zinc/91/26/38/361912638.db2.gz IALOJDNZRUGJCE-STQMWFEESA-N 0 3 294.395 1.288 10 10 CDCEHN CC[C@H](CO)N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000093739954 342425866 /nfs/dbraw/zinc/42/58/66/342425866.db2.gz CWFQUMDKPYZYKH-MRXNPFEDSA-N 0 3 292.423 1.898 10 10 CDCEHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)C(F)F ZINC000295022117 199304747 /nfs/dbraw/zinc/30/47/47/199304747.db2.gz KRAMAHAOAMRLHC-PRHODGIISA-N 0 3 289.278 1.615 10 10 CDCEHN N[C@H](CC[NH3+])c1c(F)ccc(Br)c1[O-] ZINC000306718377 362248579 /nfs/dbraw/zinc/24/85/79/362248579.db2.gz HFSCYLINKMVOGZ-SSDOTTSWSA-N 0 3 263.110 1.642 10 10 CDCEHN Cc1cnn(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000105908485 391067598 /nfs/dbraw/zinc/06/75/98/391067598.db2.gz XUZPKUWRFAFBGT-UHFFFAOYSA-N 0 3 275.308 1.416 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([O-])c1O ZINC000179498292 391208642 /nfs/dbraw/zinc/20/86/42/391208642.db2.gz JHSPYYGCVLDUIX-RYUDHWBXSA-N 0 3 290.363 1.715 10 10 CDCEHN Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([O-])c1O ZINC000179498292 391208643 /nfs/dbraw/zinc/20/86/43/391208643.db2.gz JHSPYYGCVLDUIX-RYUDHWBXSA-N 0 3 290.363 1.715 10 10 CDCEHN CNCC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1 ZINC000040354958 174245624 /nfs/dbraw/zinc/24/56/24/174245624.db2.gz VACIVJVHFGTDIE-INIZCTEOSA-N 0 3 296.374 1.922 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c([O-])c1 ZINC000185994234 262074827 /nfs/dbraw/zinc/07/48/27/262074827.db2.gz GRAKMQUMFLNHEN-NWDGAFQWSA-N 0 3 272.352 1.958 10 10 CDCEHN CCc1nc2n(n1)C[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069621199 522531691 /nfs/dbraw/zinc/53/16/91/522531691.db2.gz JFBGOXQIYKDUJL-CQSZACIVSA-N 0 3 298.390 1.880 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195008024 524872321 /nfs/dbraw/zinc/87/23/21/524872321.db2.gz UQQNYANVHWBUSQ-UFBFGSQYSA-N 0 3 282.771 1.968 10 10 CDCEHN COCCN1CC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000730817716 575012523 /nfs/dbraw/zinc/01/25/23/575012523.db2.gz SJWZMZDTNZEBBQ-CYBMUJFWSA-N 0 3 280.368 1.211 10 10 CDCEHN O=C(/C=C/c1ccc(O)c(O)c1)NC12CCN(CC1)C2 ZINC000913631890 630716077 /nfs/dbraw/zinc/71/60/77/630716077.db2.gz HCUOEEHRKBUCSA-DUXPYHPUSA-N 0 3 274.320 1.075 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C2(CO)CC2)c1[O-] ZINC000169094676 784419182 /nfs/dbraw/zinc/41/91/82/784419182.db2.gz VSZQCIQFUNXOJT-UHFFFAOYSA-N 0 3 257.717 1.669 10 10 CDCEHN COCC[NH2+]C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000844900928 785385709 /nfs/dbraw/zinc/38/57/09/785385709.db2.gz SLOKDRAZQGCGSE-UHFFFAOYSA-N 0 3 282.359 1.732 10 10 CDCEHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1CC1CC1 ZINC000716821358 785863998 /nfs/dbraw/zinc/86/39/98/785863998.db2.gz NTGKUQCWNSEAHM-ZDUSSCGKSA-N 0 3 260.337 1.493 10 10 CDCEHN CCN(OC)C(=O)CNCc1cc(C)c(C)cc1O ZINC000842769778 786353085 /nfs/dbraw/zinc/35/30/85/786353085.db2.gz VTYPIQSSYTXFIN-UHFFFAOYSA-N 0 3 266.341 1.509 10 10 CDCEHN CN(C)c1ccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)cc1F ZINC000862545751 786896338 /nfs/dbraw/zinc/89/63/38/786896338.db2.gz AGJZYVWKGAICCM-VXGBXAGGSA-N 0 3 278.327 1.497 10 10 CDCEHN Cc1cc(N(C)C)ccc1CN1CCOC2(CNC2)C1 ZINC000853249612 787055845 /nfs/dbraw/zinc/05/58/45/787055845.db2.gz RWKAJLMPQTYSBA-UHFFFAOYSA-N 0 3 275.396 1.235 10 10 CDCEHN Oc1ccc(F)cc1CN1CC[C@](O)(C(F)F)C1 ZINC000824726800 787863832 /nfs/dbraw/zinc/86/38/32/787863832.db2.gz USVMXDVJOPEOHY-GFCCVEGCSA-N 0 3 261.243 1.733 10 10 CDCEHN CCON(C)C(=O)CNCc1cc(F)ccc1O ZINC000846066517 788316653 /nfs/dbraw/zinc/31/66/53/788316653.db2.gz ZCLSKHZENHSPPQ-UHFFFAOYSA-N 0 3 256.277 1.031 10 10 CDCEHN CCON(C)C(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000846066517 788316654 /nfs/dbraw/zinc/31/66/54/788316654.db2.gz ZCLSKHZENHSPPQ-UHFFFAOYSA-N 0 3 256.277 1.031 10 10 CDCEHN COC(OC)[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000922312093 789013072 /nfs/dbraw/zinc/01/30/72/789013072.db2.gz RPZYFHZBQIXBPN-JTQLQIEISA-N 0 3 270.348 1.989 10 10 CDCEHN COC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000716972507 789159880 /nfs/dbraw/zinc/15/98/80/789159880.db2.gz QNKUHBHMQVXDLU-CYBMUJFWSA-N 0 3 289.759 1.541 10 10 CDCEHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377341 936518140 /nfs/dbraw/zinc/51/81/40/936518140.db2.gz IXIXJQAUBHMJBY-YPMHNXCESA-N 0 3 290.363 1.654 10 10 CDCEHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC001137377341 936518143 /nfs/dbraw/zinc/51/81/43/936518143.db2.gz IXIXJQAUBHMJBY-YPMHNXCESA-N 0 3 290.363 1.654 10 10 CDCEHN CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])C(=O)NC ZINC000697858687 937287626 /nfs/dbraw/zinc/28/76/26/937287626.db2.gz MREGWDACKRPFAE-CMPLNLGQSA-N 0 3 250.342 1.876 10 10 CDCEHN CO[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@H]1C ZINC000783970354 937288223 /nfs/dbraw/zinc/28/82/23/937288223.db2.gz CAAYFKMXEBBUJQ-FUEDEBDSSA-N 0 3 293.363 1.675 10 10 CDCEHN CO[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC[C@H]1C ZINC000783970354 937288227 /nfs/dbraw/zinc/28/82/27/937288227.db2.gz CAAYFKMXEBBUJQ-FUEDEBDSSA-N 0 3 293.363 1.675 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@]1(O)CCOC1)CC2 ZINC000404214921 940957953 /nfs/dbraw/zinc/95/79/53/940957953.db2.gz SPWHUKXSRFMXJH-IUODEOHRSA-N 0 3 263.337 1.511 10 10 CDCEHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000812298228 1163615342 /nfs/dbraw/zinc/61/53/42/1163615342.db2.gz JBSCOWVQNHZYHO-SMDDNHRTSA-N 0 3 279.336 1.429 10 10 CDCEHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000812298228 1163615346 /nfs/dbraw/zinc/61/53/46/1163615346.db2.gz JBSCOWVQNHZYHO-SMDDNHRTSA-N 0 3 279.336 1.429 10 10 CDCEHN CO[C@H](C)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000189099633 357971587 /nfs/dbraw/zinc/97/15/87/357971587.db2.gz YWFLTYIJESUQIY-DTWKUNHWSA-N 0 3 253.298 1.634 10 10 CDCEHN C[C@@H]1OCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134240340 361542903 /nfs/dbraw/zinc/54/29/03/361542903.db2.gz BMELIFHWLYZGPC-WCBMZHEXSA-N 0 3 251.282 1.388 10 10 CDCEHN Cc1cc(O)c(CN2CC[C@@H](NC(N)=O)C2)cc1C ZINC000271423663 364983936 /nfs/dbraw/zinc/98/39/36/364983936.db2.gz ZTSSHVYCJXXBRI-GFCCVEGCSA-N 0 3 263.341 1.252 10 10 CDCEHN CN1CC=C(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000272674270 371118546 /nfs/dbraw/zinc/11/85/46/371118546.db2.gz UIJPNRYCNHZZIS-UHFFFAOYSA-N 0 3 250.317 1.883 10 10 CDCEHN O=C1N=C(N2CCNCC2)S/C1=C/c1cccc(O)c1 ZINC000020413959 171183369 /nfs/dbraw/zinc/18/33/69/171183369.db2.gz FCBXYVWGDXHNOC-FMIVXFBMSA-N 0 3 289.360 1.268 10 10 CDCEHN CC[C@H](C)N[C@](C)(C(N)=O)c1ccc(N(C)C)cc1 ZINC000038064763 174075190 /nfs/dbraw/zinc/07/51/90/174075190.db2.gz GKBDHPTWXDZGIG-NHYWBVRUSA-N 0 3 263.385 1.841 10 10 CDCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000185993579 262075113 /nfs/dbraw/zinc/07/51/13/262075113.db2.gz ZZHAYIYBGAKAQV-VXGBXAGGSA-N 0 3 272.352 1.958 10 10 CDCEHN CC[C@H](C)N1CCN(Cc2cc(N)ccc2O)CC1 ZINC000055063473 523956267 /nfs/dbraw/zinc/95/62/67/523956267.db2.gz DCGWMUPQIRSKOQ-LBPRGKRZSA-N 0 3 263.385 1.891 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+][C@]2(CCO)CCOC2)c1[O-] ZINC000278661802 524874765 /nfs/dbraw/zinc/87/47/65/524874765.db2.gz KRGOXKUFSHEWOX-CQSZACIVSA-N 0 3 285.771 1.985 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279409622 525346309 /nfs/dbraw/zinc/34/63/09/525346309.db2.gz LXWLSDXBYQVATD-OAHLLOKOSA-N 0 3 260.337 1.413 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279409622 525346316 /nfs/dbraw/zinc/34/63/16/525346316.db2.gz LXWLSDXBYQVATD-OAHLLOKOSA-N 0 3 260.337 1.413 10 10 CDCEHN Cc1cnn(CCNCc2ccc3c(c2)CCO3)c1 ZINC000071877350 526263217 /nfs/dbraw/zinc/26/32/17/526263217.db2.gz HHTVDRMXVRATBB-UHFFFAOYSA-N 0 3 257.337 1.916 10 10 CDCEHN COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCS2)c([O-])c1 ZINC000905046695 626384762 /nfs/dbraw/zinc/38/47/62/626384762.db2.gz ITRZPEQTYDCKKS-LBPRGKRZSA-N 0 3 295.408 1.910 10 10 CDCEHN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN(C)C1 ZINC000855360147 790805430 /nfs/dbraw/zinc/80/54/30/790805430.db2.gz HQXQMAVMVVPWNE-VGVVRCBHSA-N 0 3 290.363 1.664 10 10 CDCEHN C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923120293 790858015 /nfs/dbraw/zinc/85/80/15/790858015.db2.gz TYZOXJZRTSSURG-PHIMTYICSA-N 0 3 295.358 1.671 10 10 CDCEHN C[C@@H](NCc1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000796488510 791256396 /nfs/dbraw/zinc/25/63/96/791256396.db2.gz DONDLXKVAWICLW-GFCCVEGCSA-N 0 3 296.436 1.808 10 10 CDCEHN CN(C)c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1F ZINC000827292222 792638922 /nfs/dbraw/zinc/63/89/22/792638922.db2.gz OUFLOSKUJGVTMR-SWLSCSKDSA-N 0 3 264.344 1.848 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2COC)c([O-])c1 ZINC000846047871 793024380 /nfs/dbraw/zinc/02/43/80/793024380.db2.gz SQHXNLRFHOBDEU-QWHCGFSZSA-N 0 3 281.352 1.373 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2COC)c([O-])c1 ZINC000846047871 793024394 /nfs/dbraw/zinc/02/43/94/793024394.db2.gz SQHXNLRFHOBDEU-QWHCGFSZSA-N 0 3 281.352 1.373 10 10 CDCEHN C[C@@H](C(N)=O)[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000711157143 793938116 /nfs/dbraw/zinc/93/81/16/793938116.db2.gz DATAULKRBLGPHU-JTQLQIEISA-N 0 3 258.321 1.851 10 10 CDCEHN C[C@@H](C(N)=O)[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000711157143 793938119 /nfs/dbraw/zinc/93/81/19/793938119.db2.gz DATAULKRBLGPHU-JTQLQIEISA-N 0 3 258.321 1.851 10 10 CDCEHN C[C@@H](C(N)=O)N(C)Cc1c(O)ccc2ccccc21 ZINC000711157143 793938126 /nfs/dbraw/zinc/93/81/26/793938126.db2.gz DATAULKRBLGPHU-JTQLQIEISA-N 0 3 258.321 1.851 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)CC2 ZINC000850510956 795140587 /nfs/dbraw/zinc/14/05/87/795140587.db2.gz YSKPLHCZHWZKNH-BBRMVZONSA-N 0 3 293.363 1.137 10 10 CDCEHN C[C@H](CC[NH2+]Cc1cc(F)ccc1[O-])[S@@](C)=O ZINC000226620765 795359320 /nfs/dbraw/zinc/35/93/20/795359320.db2.gz YBYOCVFWEJFDAX-VVVCHXIZSA-N 0 3 259.346 1.778 10 10 CDCEHN C[C@@H]([NH2+]C[C@H](O)C1(O)CCC1)c1ccccc1[O-] ZINC000931554007 795847076 /nfs/dbraw/zinc/84/70/76/795847076.db2.gz JYSAPKUICDKRFE-MFKMUULPSA-N 0 3 251.326 1.319 10 10 CDCEHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000809703572 795859860 /nfs/dbraw/zinc/85/98/60/795859860.db2.gz NGHFVERPFHSKTO-SECBINFHSA-N 0 3 287.356 1.587 10 10 CDCEHN COc1cccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000850369657 796011288 /nfs/dbraw/zinc/01/12/88/796011288.db2.gz WYWCUOLIFLLETB-CMPLNLGQSA-N 0 3 299.392 1.456 10 10 CDCEHN CC1=CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001635602509 1166599682 /nfs/dbraw/zinc/59/96/82/1166599682.db2.gz TVEDVKCLMYIJOJ-UHFFFAOYSA-N 0 3 290.363 1.409 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]CCOCCCO)c([O-])c1 ZINC001321859377 959989000 /nfs/dbraw/zinc/98/90/00/959989000.db2.gz XRBASKVSMUMGNM-LBPRGKRZSA-N 0 3 253.342 1.750 10 10 CDCEHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000193131950 358267949 /nfs/dbraw/zinc/26/79/49/358267949.db2.gz IWVZMWOJCZVIIM-PWSUYJOCSA-N 0 3 278.352 1.556 10 10 CDCEHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000193131950 358267954 /nfs/dbraw/zinc/26/79/54/358267954.db2.gz IWVZMWOJCZVIIM-PWSUYJOCSA-N 0 3 278.352 1.556 10 10 CDCEHN COc1cccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284184818 368503966 /nfs/dbraw/zinc/50/39/66/368503966.db2.gz XVNZOVDBYAXNBM-TZMCWYRMSA-N 0 3 297.395 1.648 10 10 CDCEHN CN(C)c1ccc(CNC[C@@H]2CN(C)CCO2)cc1 ZINC000105472061 391065232 /nfs/dbraw/zinc/06/52/32/391065232.db2.gz QXBWRXATKWGJQB-OAHLLOKOSA-N 0 3 263.385 1.173 10 10 CDCEHN CC(=O)NCCNCc1ccc(N2CCCC2)cc1 ZINC000037235610 173053218 /nfs/dbraw/zinc/05/32/18/173053218.db2.gz CIINCIXVIDDPKB-UHFFFAOYSA-N 0 3 261.369 1.513 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(O)cc1[O-] ZINC000038060430 174070790 /nfs/dbraw/zinc/07/07/90/174070790.db2.gz MXGPZCCTJGJCOW-GXSJLCMTSA-N 0 3 253.298 1.164 10 10 CDCEHN CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)CO)c1[O-] ZINC000134981451 329662089 /nfs/dbraw/zinc/66/20/89/329662089.db2.gz AYUBOPXQBRDELU-WDEREUQCSA-N 0 3 253.342 1.897 10 10 CDCEHN CCCN(CCC)c1ccc(CNC[C@H](O)CO)cc1 ZINC000276842683 521650977 /nfs/dbraw/zinc/65/09/77/521650977.db2.gz YWJAQIHOQMIDDF-INIZCTEOSA-N 0 3 280.412 1.756 10 10 CDCEHN COc1cc([O-])c(C[NH2+][C@H]2CCCOC2)cc1OC ZINC000289994276 522782488 /nfs/dbraw/zinc/78/24/88/522782488.db2.gz CLLDRMVUNPRYRG-NSHDSACASA-N 0 3 267.325 1.678 10 10 CDCEHN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])NC(=O)CC3)CCN1 ZINC000052783407 524666224 /nfs/dbraw/zinc/66/62/24/524666224.db2.gz DTZAYPQBHNVNKK-VIFPVBQESA-N 0 3 290.323 1.278 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000084062242 524775048 /nfs/dbraw/zinc/77/50/48/524775048.db2.gz UMFUXFRTARFCRF-WDEREUQCSA-N 0 3 278.352 1.672 10 10 CDCEHN COc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000277728233 526035391 /nfs/dbraw/zinc/03/53/91/526035391.db2.gz JKUSDUBFFOHONX-CMPLNLGQSA-N 0 3 251.326 1.915 10 10 CDCEHN C[C@H](N[C@@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000769849683 575391664 /nfs/dbraw/zinc/39/16/64/575391664.db2.gz BGLGOUZIJLZRMN-SWLSCSKDSA-N 0 3 289.379 1.062 10 10 CDCEHN CCN1CCC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000040906845 1159754501 /nfs/dbraw/zinc/75/45/01/1159754501.db2.gz XLSGRQLLPBNEOI-ZDUSSCGKSA-N 0 3 264.369 1.975 10 10 CDCEHN C[C@H]([NH2+]C[C@@H](O)C1(O)CCCC1)c1ccccc1[O-] ZINC000931557586 796879613 /nfs/dbraw/zinc/87/96/13/796879613.db2.gz KKXPJOZGBRWQFR-SMDDNHRTSA-N 0 3 265.353 1.709 10 10 CDCEHN COc1ccc(O)c(C[NH2+]Cc2ncccc2[O-])c1 ZINC000793256009 796899889 /nfs/dbraw/zinc/89/98/89/796899889.db2.gz ITXOVQKHYMCUIW-UHFFFAOYSA-N 0 3 260.293 1.791 10 10 CDCEHN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000862466621 797069014 /nfs/dbraw/zinc/06/90/14/797069014.db2.gz PZGSCHGZJZTOEA-GFCCVEGCSA-N 0 3 265.284 1.883 10 10 CDCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(CO)C2)c1[O-] ZINC000839152875 797069948 /nfs/dbraw/zinc/06/99/48/797069948.db2.gz CCEAVZXNPIPILQ-CQSZACIVSA-N 0 3 285.771 1.673 10 10 CDCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(CO)C2)c1[O-] ZINC000839152875 797069953 /nfs/dbraw/zinc/06/99/53/797069953.db2.gz CCEAVZXNPIPILQ-CQSZACIVSA-N 0 3 285.771 1.673 10 10 CDCEHN Cc1cc(Cl)cc(CN2CCC[C@](O)(CO)C2)c1O ZINC000839152875 797069962 /nfs/dbraw/zinc/06/99/62/797069962.db2.gz CCEAVZXNPIPILQ-CQSZACIVSA-N 0 3 285.771 1.673 10 10 CDCEHN C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1O ZINC000868363757 797376105 /nfs/dbraw/zinc/37/61/05/797376105.db2.gz PZKJWTRAQOZVOE-VXGBXAGGSA-N 0 3 277.368 1.847 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000809778432 797795885 /nfs/dbraw/zinc/79/58/85/797795885.db2.gz PRYZWRSDYODWLR-CYBMUJFWSA-N 0 3 276.311 1.792 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(COC3)C1)[C@H](O)CO2 ZINC000853598027 797889200 /nfs/dbraw/zinc/88/92/00/797889200.db2.gz OHNKCINQSHDNJC-CYBMUJFWSA-N 0 3 277.320 1.040 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CCC3(COC3)C1)[C@H](O)CO2 ZINC000853598027 797889201 /nfs/dbraw/zinc/88/92/01/797889201.db2.gz OHNKCINQSHDNJC-CYBMUJFWSA-N 0 3 277.320 1.040 10 10 CDCEHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)CC2CC2)c1 ZINC000182335914 899585886 /nfs/dbraw/zinc/58/58/86/899585886.db2.gz ZNLNUTCBGZNVHD-NSHDSACASA-N 0 3 292.379 1.920 10 10 CDCEHN C[C@@H]([NH2+]CC(=O)Nc1cnccn1)c1ccccc1[O-] ZINC001648053612 1169094500 /nfs/dbraw/zinc/09/45/00/1169094500.db2.gz DIPQCCHFXLVLLF-SNVBAGLBSA-N 0 3 272.308 1.472 10 10 CDCEHN C[C@@H](NCC(=O)Nc1cnccn1)c1ccccc1O ZINC001648053612 1169094509 /nfs/dbraw/zinc/09/45/09/1169094509.db2.gz DIPQCCHFXLVLLF-SNVBAGLBSA-N 0 3 272.308 1.472 10 10 CDCEHN C[C@H](Cn1cncn1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834544191 936693460 /nfs/dbraw/zinc/69/34/60/936693460.db2.gz JBYIYXWOTFCQDX-ZYHUDNBSSA-N 0 3 258.325 1.649 10 10 CDCEHN CN(C)c1cc(F)c(CN[C@H]2CCC(=O)N(C)C2)cc1F ZINC000858141283 928810162 /nfs/dbraw/zinc/81/01/62/928810162.db2.gz MLMFOFYBDRUBMG-NSHDSACASA-N 0 3 297.349 1.741 10 10 CDCEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000690364407 928901120 /nfs/dbraw/zinc/90/11/20/928901120.db2.gz BGEQHLHKLDMZIS-SNVBAGLBSA-N 0 3 278.352 1.700 10 10 CDCEHN CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1ccccc1[O-] ZINC000697858908 937287644 /nfs/dbraw/zinc/28/76/44/937287644.db2.gz PEJXDJYSJOSJRL-NEPJUHHUSA-N 0 3 250.342 1.958 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCC1 ZINC000859189115 928980059 /nfs/dbraw/zinc/98/00/59/928980059.db2.gz MYNXOIYVNMIFLE-ZDUSSCGKSA-N 0 3 265.353 1.490 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCC1 ZINC000859189115 928980069 /nfs/dbraw/zinc/98/00/69/928980069.db2.gz MYNXOIYVNMIFLE-ZDUSSCGKSA-N 0 3 265.353 1.490 10 10 CDCEHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972234 930655994 /nfs/dbraw/zinc/65/59/94/930655994.db2.gz VHKSWVBTSYDCRQ-OUJBWJOFSA-N 0 3 279.340 1.949 10 10 CDCEHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cccc1OC ZINC000824635578 931473027 /nfs/dbraw/zinc/47/30/27/931473027.db2.gz IMSWMUWAPUYWPC-AAEUAGOBSA-N 0 3 265.353 1.994 10 10 CDCEHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cccc1OC ZINC000824635578 931473029 /nfs/dbraw/zinc/47/30/29/931473029.db2.gz IMSWMUWAPUYWPC-AAEUAGOBSA-N 0 3 265.353 1.994 10 10 CDCEHN C[C@H]1[C@@H](NC(=O)NCc2c([O-])cccc2F)CC[N@@H+]1C ZINC000925346021 932874649 /nfs/dbraw/zinc/87/46/49/932874649.db2.gz BBHYKLHNALNHEX-CABZTGNLSA-N 0 3 281.331 1.423 10 10 CDCEHN C[C@H]1[C@@H](NC(=O)NCc2c([O-])cccc2F)CC[N@H+]1C ZINC000925346021 932874654 /nfs/dbraw/zinc/87/46/54/932874654.db2.gz BBHYKLHNALNHEX-CABZTGNLSA-N 0 3 281.331 1.423 10 10 CDCEHN CON1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000931553997 933586643 /nfs/dbraw/zinc/58/66/43/933586643.db2.gz JRVKOAMAXQWLOW-GXSJLCMTSA-N 0 3 250.298 1.205 10 10 CDCEHN CN(CC(=O)NCc1cc(O)ccc1O)C1CCC1 ZINC001471661885 970457460 /nfs/dbraw/zinc/45/74/60/970457460.db2.gz GIZZWFPEUKVKPV-UHFFFAOYSA-N 0 3 264.325 1.198 10 10 CDCEHN CC[C@@H](C)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 ZINC000059848309 348881595 /nfs/dbraw/zinc/88/15/95/348881595.db2.gz WINLPRNPBKQCDU-RNCFNFMXSA-N 0 3 266.341 1.130 10 10 CDCEHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc(N)cc1 ZINC000364213778 358088260 /nfs/dbraw/zinc/08/82/60/358088260.db2.gz JKXRCDRRYSZEAI-XJKCOSOUSA-N 0 3 289.379 1.740 10 10 CDCEHN C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(F)ccc1[O-] ZINC000094618488 360230997 /nfs/dbraw/zinc/23/09/97/360230997.db2.gz DVPOALDFROMBEJ-CMPLNLGQSA-N 0 3 268.332 1.513 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CC2(O)CCN(C)CC2)c1[O-] ZINC000271819359 364999056 /nfs/dbraw/zinc/99/90/56/364999056.db2.gz MOJKOXQLMBZDHW-UHFFFAOYSA-N 0 3 298.814 1.900 10 10 CDCEHN CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000284853951 368556315 /nfs/dbraw/zinc/55/63/15/368556315.db2.gz CVLVEKBXONYAJO-JSGCOSHPSA-N 0 3 285.359 1.779 10 10 CDCEHN COc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000285218922 368598144 /nfs/dbraw/zinc/59/81/44/368598144.db2.gz RQJIQLDMHDHHKU-DOMZBBRYSA-N 0 3 297.395 1.648 10 10 CDCEHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1N1CCOCC1 ZINC000245642937 376126025 /nfs/dbraw/zinc/12/60/25/376126025.db2.gz ZCSDLLJSIIQVTL-DZGCQCFKSA-N 0 3 276.380 1.545 10 10 CDCEHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1N1CCOCC1 ZINC000245642937 376126032 /nfs/dbraw/zinc/12/60/32/376126032.db2.gz ZCSDLLJSIIQVTL-DZGCQCFKSA-N 0 3 276.380 1.545 10 10 CDCEHN CN1CCO[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000069533353 378266052 /nfs/dbraw/zinc/26/60/52/378266052.db2.gz CXALZBDUNURHCT-AWEZNQCLSA-N 0 3 262.353 1.042 10 10 CDCEHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000362235922 391716624 /nfs/dbraw/zinc/71/66/24/391716624.db2.gz LNPNNQRBULQQGP-IACUBPJLSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000362235922 391716627 /nfs/dbraw/zinc/71/66/27/391716627.db2.gz LNPNNQRBULQQGP-IACUBPJLSA-N 0 3 274.364 1.800 10 10 CDCEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000091666860 260266484 /nfs/dbraw/zinc/26/64/84/260266484.db2.gz TWIDBAMJVSMIEU-CJNGLKHVSA-N 0 3 277.412 1.734 10 10 CDCEHN CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000283811607 263084379 /nfs/dbraw/zinc/08/43/79/263084379.db2.gz BPFWDZWDOZMNAU-OCCSQVGLSA-N 0 3 267.369 1.640 10 10 CDCEHN CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000179570829 329209715 /nfs/dbraw/zinc/20/97/15/329209715.db2.gz KRKJZZOXNINQCL-MRXNPFEDSA-N 0 3 289.423 1.604 10 10 CDCEHN CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000179570829 329209716 /nfs/dbraw/zinc/20/97/16/329209716.db2.gz KRKJZZOXNINQCL-MRXNPFEDSA-N 0 3 289.423 1.604 10 10 CDCEHN COC[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1[O-])OC ZINC000230672200 333320524 /nfs/dbraw/zinc/32/05/24/333320524.db2.gz WLDKQKAHHFOAAD-ZYHUDNBSSA-N 0 3 269.341 1.713 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000126672266 1160133503 /nfs/dbraw/zinc/13/35/03/1160133503.db2.gz DSUQBEHRYGUBRU-GHMZBOCLSA-N 0 3 269.366 1.620 10 10 CDCEHN Cc1cccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000279375491 524406749 /nfs/dbraw/zinc/40/67/49/524406749.db2.gz IJHPIMRLXICHJY-HNNXBMFYSA-N 0 3 260.337 1.413 10 10 CDCEHN Cc1cccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000279375491 524406755 /nfs/dbraw/zinc/40/67/55/524406755.db2.gz IJHPIMRLXICHJY-HNNXBMFYSA-N 0 3 260.337 1.413 10 10 CDCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279409619 525346794 /nfs/dbraw/zinc/34/67/94/525346794.db2.gz LXWLSDXBYQVATD-HNNXBMFYSA-N 0 3 260.337 1.413 10 10 CDCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279409619 525346804 /nfs/dbraw/zinc/34/68/04/525346804.db2.gz LXWLSDXBYQVATD-HNNXBMFYSA-N 0 3 260.337 1.413 10 10 CDCEHN C[C@@H]1CCOCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774661115 575225654 /nfs/dbraw/zinc/22/56/54/575225654.db2.gz ULFCIWUPISHFGV-QMTHXVAHSA-N 0 3 279.336 1.429 10 10 CDCEHN C[C@@H]1CCOCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774661115 575225655 /nfs/dbraw/zinc/22/56/55/575225655.db2.gz ULFCIWUPISHFGV-QMTHXVAHSA-N 0 3 279.336 1.429 10 10 CDCEHN O=C1CCN(Cc2cc3c(cc2O)CCCC3)CCN1 ZINC000768452731 576285369 /nfs/dbraw/zinc/28/53/69/576285369.db2.gz RZNWPFIZKALTAO-UHFFFAOYSA-N 0 3 274.364 1.593 10 10 CDCEHN O=C1CC[N@H+](Cc2cc3c(cc2[O-])CCCC3)CCN1 ZINC000768452731 576285370 /nfs/dbraw/zinc/28/53/70/576285370.db2.gz RZNWPFIZKALTAO-UHFFFAOYSA-N 0 3 274.364 1.593 10 10 CDCEHN O=C1CC[N@@H+](Cc2cc3c(cc2[O-])CCCC3)CCN1 ZINC000768452731 576285371 /nfs/dbraw/zinc/28/53/71/576285371.db2.gz RZNWPFIZKALTAO-UHFFFAOYSA-N 0 3 274.364 1.593 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000895652983 619789741 /nfs/dbraw/zinc/78/97/41/619789741.db2.gz KLPWACKLPLLZHU-XJNRFOTBSA-N 0 3 258.365 1.832 10 10 CDCEHN CON(C)C(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000788020299 620427421 /nfs/dbraw/zinc/42/74/21/620427421.db2.gz PMLNZBQSCPZKNV-UHFFFAOYSA-N 0 3 252.314 1.234 10 10 CDCEHN CON(C)C(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000788020299 620427426 /nfs/dbraw/zinc/42/74/26/620427426.db2.gz PMLNZBQSCPZKNV-UHFFFAOYSA-N 0 3 252.314 1.234 10 10 CDCEHN COc1ccc(CN[C@H](C)C(=O)N(C)C)cc1C ZINC000037268019 1165763070 /nfs/dbraw/zinc/76/30/70/1165763070.db2.gz AMQZSTDVNKBJTE-LLVKDONJSA-N 0 3 250.342 1.570 10 10 CDCEHN CO[C@]1(C[NH2+][C@H](C)c2ccccc2[O-])CCS(=O)(=O)C1 ZINC000721220771 812395302 /nfs/dbraw/zinc/39/53/02/812395302.db2.gz ZZYUBNYONFZIOM-RISCZKNCSA-N 0 3 299.392 1.247 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2C)c2c1c(F)ccc2[O-] ZINC000858523159 812862220 /nfs/dbraw/zinc/86/22/20/812862220.db2.gz NZTFTCKBADYFRW-MDZLAQPJSA-N 0 3 294.370 2.000 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(F)ccc1[O-] ZINC000927137019 813212480 /nfs/dbraw/zinc/21/24/80/813212480.db2.gz SZBLSOPNNINOOS-YMTOWFKASA-N 0 3 279.315 1.649 10 10 CDCEHN COC(=O)[C@@H]1CSCC[N@H+](Cc2ccccc2[O-])C1 ZINC000840978769 814661991 /nfs/dbraw/zinc/66/19/91/814661991.db2.gz VVIAIOBWIHHFJX-LBPRGKRZSA-N 0 3 281.377 1.730 10 10 CDCEHN COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840978769 814661999 /nfs/dbraw/zinc/66/19/99/814661999.db2.gz VVIAIOBWIHHFJX-LBPRGKRZSA-N 0 3 281.377 1.730 10 10 CDCEHN CO[C@@](C)(CO)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000848922465 817218647 /nfs/dbraw/zinc/21/86/47/817218647.db2.gz TWUDUZNOABBVJW-CYBMUJFWSA-N 0 3 273.760 1.841 10 10 CDCEHN COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000846048096 817336679 /nfs/dbraw/zinc/33/66/79/817336679.db2.gz UUKTWHHKXZIBGK-NWDGAFQWSA-N 0 3 255.289 1.113 10 10 CDCEHN COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000846048096 817336689 /nfs/dbraw/zinc/33/66/89/817336689.db2.gz UUKTWHHKXZIBGK-NWDGAFQWSA-N 0 3 255.289 1.113 10 10 CDCEHN C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccccc1[O-] ZINC000786949766 817380500 /nfs/dbraw/zinc/38/05/00/817380500.db2.gz IRGXURZCUCAKBT-SNVBAGLBSA-N 0 3 269.366 1.478 10 10 CDCEHN [O-]c1ccc(F)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055577 817863666 /nfs/dbraw/zinc/86/36/66/817863666.db2.gz LYPVGFJRRYAPGX-ZDUSSCGKSA-N 0 3 250.317 1.858 10 10 CDCEHN COC[C@@](C)(CO)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835044812 936714988 /nfs/dbraw/zinc/71/49/88/936714988.db2.gz PHYKCZWEMWQLEZ-OGZRUICASA-N 0 3 278.396 1.753 10 10 CDCEHN Nc1ccc(NCc2nc3c(s2)CNCC3)cc1 ZINC000853245629 927990334 /nfs/dbraw/zinc/99/03/34/927990334.db2.gz ABIRYBIYHCXTBF-UHFFFAOYSA-N 0 3 260.366 1.983 10 10 CDCEHN c1cc(N2CCCC2)ccc1CN1CCOC2(CNC2)C1 ZINC001329993609 956224557 /nfs/dbraw/zinc/22/45/57/956224557.db2.gz BPLBGJLDBAYYCM-UHFFFAOYSA-N 0 3 287.407 1.461 10 10 CDCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCO)c1[O-] ZINC000848518772 969144318 /nfs/dbraw/zinc/14/43/18/969144318.db2.gz LTNQVNCIPXLQHJ-SSDOTTSWSA-N 0 3 290.157 1.806 10 10 CDCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c1 ZINC000271095086 364919580 /nfs/dbraw/zinc/91/95/80/364919580.db2.gz MFQJWCGVFNBZKN-LLVKDONJSA-N 0 3 279.336 1.786 10 10 CDCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)OC)C2)c1 ZINC000271095086 364919585 /nfs/dbraw/zinc/91/95/85/364919585.db2.gz MFQJWCGVFNBZKN-LLVKDONJSA-N 0 3 279.336 1.786 10 10 CDCEHN CCOc1ccc(O)c(CN2CC[C@@H](C(=O)OC)C2)c1 ZINC000271095086 364919591 /nfs/dbraw/zinc/91/95/91/364919591.db2.gz MFQJWCGVFNBZKN-LLVKDONJSA-N 0 3 279.336 1.786 10 10 CDCEHN O=C1OCCN1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297710195 372014781 /nfs/dbraw/zinc/01/47/81/372014781.db2.gz MTJLSGINUHLBMB-GFCCVEGCSA-N 0 3 276.336 1.811 10 10 CDCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3OCC[C@H]3C1)OCO2 ZINC000373226149 391112188 /nfs/dbraw/zinc/11/21/88/391112188.db2.gz CALHUABVECFQAF-GXFFZTMASA-N 0 3 277.320 1.732 10 10 CDCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3OCC[C@H]3C1)OCO2 ZINC000373226149 391112193 /nfs/dbraw/zinc/11/21/93/391112193.db2.gz CALHUABVECFQAF-GXFFZTMASA-N 0 3 277.320 1.732 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000184934591 262034362 /nfs/dbraw/zinc/03/43/62/262034362.db2.gz HHKGBOJIGSJMHJ-OLZOCXBDSA-N 0 3 294.395 1.772 10 10 CDCEHN CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000186921462 262116547 /nfs/dbraw/zinc/11/65/47/262116547.db2.gz WHSKRNNIPIEMMK-JTQLQIEISA-N 0 3 266.341 1.558 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296421035 288839157 /nfs/dbraw/zinc/83/91/57/288839157.db2.gz LLKXCTHFNOCFOQ-ZMLRMANQSA-N 0 3 260.337 1.636 10 10 CDCEHN C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000281648710 525546899 /nfs/dbraw/zinc/54/68/99/525546899.db2.gz BHTMTDAVMAHQSC-KWQFWETISA-N 0 3 252.289 1.288 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]CCc2nnnn2C)c([O-])c1C ZINC000756675887 576999723 /nfs/dbraw/zinc/99/97/23/576999723.db2.gz HNEUWBCHSMNWFG-LLVKDONJSA-N 0 3 275.356 1.426 10 10 CDCEHN CNC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000817414886 818045243 /nfs/dbraw/zinc/04/52/43/818045243.db2.gz KLRBZYHBXMKFEM-JTQLQIEISA-N 0 3 282.771 1.922 10 10 CDCEHN CNC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000817414886 818045247 /nfs/dbraw/zinc/04/52/47/818045247.db2.gz KLRBZYHBXMKFEM-JTQLQIEISA-N 0 3 282.771 1.922 10 10 CDCEHN COC[C@@H]([NH2+]Cc1ccccc1[O-])C1CCOCC1 ZINC000783239525 818456764 /nfs/dbraw/zinc/45/67/64/818456764.db2.gz XVPMIZGXXNHSSK-CQSZACIVSA-N 0 3 265.353 1.923 10 10 CDCEHN COc1ccc(N2CCN(C[C@H](C)CO)CC2)cc1 ZINC000161829892 818467028 /nfs/dbraw/zinc/46/70/28/818467028.db2.gz IUTRSYCIDQMYHF-ZDUSSCGKSA-N 0 3 264.369 1.446 10 10 CDCEHN C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000850545729 818990204 /nfs/dbraw/zinc/99/02/04/818990204.db2.gz DQGWYMJIBSMBAM-QXEWZRGKSA-N 0 3 278.327 1.948 10 10 CDCEHN CCOc1ccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([O-])c1 ZINC000862544553 819207049 /nfs/dbraw/zinc/20/70/49/819207049.db2.gz BJDSTIPUYLNZSJ-DGCLKSJQSA-N 0 3 277.320 1.396 10 10 CDCEHN CCOc1ccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([O-])c1 ZINC000862544553 819207063 /nfs/dbraw/zinc/20/70/63/819207063.db2.gz BJDSTIPUYLNZSJ-DGCLKSJQSA-N 0 3 277.320 1.396 10 10 CDCEHN C[C@H]1CCN(CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000847589675 819362238 /nfs/dbraw/zinc/36/22/38/819362238.db2.gz LTUHRJVYBHNUMR-NSHDSACASA-N 0 3 278.352 1.098 10 10 CDCEHN NC(C(=O)NCCCSc1nccs1)C(F)(F)F ZINC000829527748 819460128 /nfs/dbraw/zinc/46/01/28/819460128.db2.gz DUKMNIGOZHLRDA-LURJTMIESA-N 0 3 299.343 1.631 10 10 CDCEHN CC[C@@H](N[C@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434787 819861210 /nfs/dbraw/zinc/86/12/10/819861210.db2.gz PURVZPHYRWJMGI-CHWSQXEVSA-N 0 3 275.352 1.900 10 10 CDCEHN COC(=O)N[C@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000228355085 820856833 /nfs/dbraw/zinc/85/68/33/820856833.db2.gz LMHOFKNJCUILGF-NSHDSACASA-N 0 3 280.324 1.331 10 10 CDCEHN CC[C@H](N[C@@H](CO)c1ccnn1C)c1ccccc1O ZINC000858434790 821333867 /nfs/dbraw/zinc/33/38/67/821333867.db2.gz PURVZPHYRWJMGI-STQMWFEESA-N 0 3 275.352 1.900 10 10 CDCEHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(OC)C2=O)c1 ZINC000930216669 821484012 /nfs/dbraw/zinc/48/40/12/821484012.db2.gz NDWAFHVRCYAPSS-SKDRFNHKSA-N 0 3 280.324 1.214 10 10 CDCEHN Cc1cccc([O-])c1C[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000872261757 821531748 /nfs/dbraw/zinc/53/17/48/821531748.db2.gz XAGUDYYZHOFYCO-HNNXBMFYSA-N 0 3 292.335 1.011 10 10 CDCEHN Cc1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000872261807 822008059 /nfs/dbraw/zinc/00/80/59/822008059.db2.gz YPBWRRXQHSNPBV-OAHLLOKOSA-N 0 3 292.335 1.011 10 10 CDCEHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)CO ZINC000817417995 822057428 /nfs/dbraw/zinc/05/74/28/822057428.db2.gz WWPQLPFLSLBJGV-LBPRGKRZSA-N 0 3 257.305 1.095 10 10 CDCEHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)CO ZINC000817417995 822057438 /nfs/dbraw/zinc/05/74/38/822057438.db2.gz WWPQLPFLSLBJGV-LBPRGKRZSA-N 0 3 257.305 1.095 10 10 CDCEHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299693 822093945 /nfs/dbraw/zinc/09/39/45/822093945.db2.gz ICMSSBBSGKXOOA-AWEZNQCLSA-N 0 3 292.383 1.501 10 10 CDCEHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1[O-] ZINC000179875856 915397781 /nfs/dbraw/zinc/39/77/81/915397781.db2.gz DWSVAUYXRAHHSQ-JTQLQIEISA-N 0 3 276.296 1.848 10 10 CDCEHN C[C@H]1CCN(CC(=O)NCc2cc(O)ccc2O)C1 ZINC001455350121 968685310 /nfs/dbraw/zinc/68/53/10/968685310.db2.gz AXWYAZKBSICLJA-JTQLQIEISA-N 0 3 264.325 1.056 10 10 CDCEHN NCC[C@@H]([NH3+])c1c([O-])c(F)ccc1Br ZINC000306721250 362279444 /nfs/dbraw/zinc/27/94/44/362279444.db2.gz HTUKZFSSJZKNKU-SSDOTTSWSA-N 0 3 263.110 1.642 10 10 CDCEHN N[C@H](CC[NH3+])c1c([O-])c(F)ccc1Br ZINC000306721250 362279449 /nfs/dbraw/zinc/27/94/49/362279449.db2.gz HTUKZFSSJZKNKU-SSDOTTSWSA-N 0 3 263.110 1.642 10 10 CDCEHN C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000374895591 370765897 /nfs/dbraw/zinc/76/58/97/370765897.db2.gz NGPGGKJTAHZLII-OASPWFOLSA-N 0 3 278.327 1.630 10 10 CDCEHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182547391 391237536 /nfs/dbraw/zinc/23/75/36/391237536.db2.gz BNPIGQBMRNBJPZ-GFCCVEGCSA-N 0 3 292.379 1.963 10 10 CDCEHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182547391 391237539 /nfs/dbraw/zinc/23/75/39/391237539.db2.gz BNPIGQBMRNBJPZ-GFCCVEGCSA-N 0 3 292.379 1.963 10 10 CDCEHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000289969901 523432175 /nfs/dbraw/zinc/43/21/75/523432175.db2.gz YWFLTYIJESUQIY-BDAKNGLRSA-N 0 3 253.298 1.634 10 10 CDCEHN C[N@@H+]1CC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708520 620505618 /nfs/dbraw/zinc/50/56/18/620505618.db2.gz NKUMBAISUCABTH-VIFPVBQESA-N 0 3 252.289 1.099 10 10 CDCEHN C[N@H+]1CC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708520 620505620 /nfs/dbraw/zinc/50/56/20/620505620.db2.gz NKUMBAISUCABTH-VIFPVBQESA-N 0 3 252.289 1.099 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c([O-])c1 ZINC000903281691 625953253 /nfs/dbraw/zinc/95/32/53/625953253.db2.gz QQYSNAJECGHMBU-XJKSGUPXSA-N 0 3 294.395 1.044 10 10 CDCEHN COc1ccc(CNC(=[NH2+])NC[C@H]2CCCS2)c([O-])c1 ZINC000905046693 626384966 /nfs/dbraw/zinc/38/49/66/626384966.db2.gz ITRZPEQTYDCKKS-GFCCVEGCSA-N 0 3 295.408 1.910 10 10 CDCEHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090023656 823736400 /nfs/dbraw/zinc/73/64/00/823736400.db2.gz WSRKYCMTOAZWEA-FZMZJTMJSA-N 0 3 289.379 1.551 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(CO)OC)c1[O-] ZINC000702535280 824234386 /nfs/dbraw/zinc/23/43/86/824234386.db2.gz AHOFZPUNHYKXIT-CYBMUJFWSA-N 0 3 289.759 1.541 10 10 CDCEHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090026864 824309913 /nfs/dbraw/zinc/30/99/13/824309913.db2.gz OJBKGAIARZVLDE-VXGBXAGGSA-N 0 3 276.336 1.580 10 10 CDCEHN Cc1cc(CN2CCN(CCO)[C@@H](C)C2)ccc1N(C)C ZINC000815096215 824822029 /nfs/dbraw/zinc/82/20/29/824822029.db2.gz KUIRVMDJMFBLLO-HNNXBMFYSA-N 0 3 291.439 1.559 10 10 CDCEHN CN1CCC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844905761 825603511 /nfs/dbraw/zinc/60/35/11/825603511.db2.gz GAINMAFDTAPUEJ-LBPRGKRZSA-N 0 3 297.786 1.939 10 10 CDCEHN CCNC(=O)[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835042968 826434767 /nfs/dbraw/zinc/43/47/67/826434767.db2.gz NKWOBTJZGPTGAP-FWWRYZNZSA-N 0 3 275.396 1.880 10 10 CDCEHN Cc1cc(Cl)cc([C@@H](C)N[C@H]2CNOC2)c1O ZINC000925867492 827266674 /nfs/dbraw/zinc/26/66/74/827266674.db2.gz TZBFCZXQQZGDOI-SCZZXKLOSA-N 0 3 256.733 1.908 10 10 CDCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CNOC2)c1[O-] ZINC000925867492 827266689 /nfs/dbraw/zinc/26/66/89/827266689.db2.gz TZBFCZXQQZGDOI-SCZZXKLOSA-N 0 3 256.733 1.908 10 10 CDCEHN CN(C)c1ccc(/C=C\CN2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000840974615 827485259 /nfs/dbraw/zinc/48/52/59/827485259.db2.gz CYDXCWDWPQKTGF-AAAUKVELSA-N 0 3 290.407 1.441 10 10 CDCEHN CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000714245751 827774834 /nfs/dbraw/zinc/77/48/34/827774834.db2.gz VMGKGNFHIIOIRJ-SRVKXCTJSA-N 0 3 281.377 1.545 10 10 CDCEHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2nnnn2C)c1[O-] ZINC000808703334 827846377 /nfs/dbraw/zinc/84/63/77/827846377.db2.gz KURURBFTZRALQY-VIFPVBQESA-N 0 3 295.774 1.771 10 10 CDCEHN C[C@H]([NH2+]CC1(N)CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000863542119 827895014 /nfs/dbraw/zinc/89/50/14/827895014.db2.gz RTSFJIUGNWKXQV-VIFPVBQESA-N 0 3 286.322 1.829 10 10 CDCEHN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000862552272 828073782 /nfs/dbraw/zinc/07/37/82/828073782.db2.gz UWEALGIZLQBTBL-LBPRGKRZSA-N 0 3 298.408 1.153 10 10 CDCEHN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000862552272 828073792 /nfs/dbraw/zinc/07/37/92/828073792.db2.gz UWEALGIZLQBTBL-LBPRGKRZSA-N 0 3 298.408 1.153 10 10 CDCEHN CCc1cccc(CN2CCN(CCO)[C@@H](C)C2)c1O ZINC000848903882 828318484 /nfs/dbraw/zinc/31/84/84/828318484.db2.gz GEEMISJDDXKJAM-ZDUSSCGKSA-N 0 3 278.396 1.453 10 10 CDCEHN Cc1cc(CN2CC[C@H](NC(N)=O)C2)ccc1N(C)C ZINC000293681418 370745799 /nfs/dbraw/zinc/74/57/99/370745799.db2.gz AYZNWUOCBQBPEO-ZDUSSCGKSA-N 0 3 276.384 1.304 10 10 CDCEHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1N1CCOCC1 ZINC000245642944 376126163 /nfs/dbraw/zinc/12/61/63/376126163.db2.gz ZCSDLLJSIIQVTL-UKRRQHHQSA-N 0 3 276.380 1.545 10 10 CDCEHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1N1CCOCC1 ZINC000245642944 376126171 /nfs/dbraw/zinc/12/61/71/376126171.db2.gz ZCSDLLJSIIQVTL-UKRRQHHQSA-N 0 3 276.380 1.545 10 10 CDCEHN Cc1c(C)c(Br)cc([C@@H]([NH3+])CO)c1[O-] ZINC000072199301 176340569 /nfs/dbraw/zinc/34/05/69/176340569.db2.gz WFGYINGGOVBKMM-VIFPVBQESA-N 0 3 260.131 1.764 10 10 CDCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000185993812 262075225 /nfs/dbraw/zinc/07/52/25/262075225.db2.gz YXHDKBJTKJHMJC-GHMZBOCLSA-N 0 3 288.351 1.658 10 10 CDCEHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180654863 329221620 /nfs/dbraw/zinc/22/16/20/329221620.db2.gz TZGASPIUHOELAX-GDBMZVCRSA-N 0 3 290.407 1.853 10 10 CDCEHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180654863 329221621 /nfs/dbraw/zinc/22/16/21/329221621.db2.gz TZGASPIUHOELAX-GDBMZVCRSA-N 0 3 290.407 1.853 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091524328 334379648 /nfs/dbraw/zinc/37/96/48/334379648.db2.gz HIGWFMFFYNCVDC-WHXUTIOJSA-N 0 3 251.326 1.822 10 10 CDCEHN CCN1CCN(c2c(F)cc(CNC)cc2F)CC1 ZINC000062709709 521696850 /nfs/dbraw/zinc/69/68/50/521696850.db2.gz XSDIVRFMKJGWHH-UHFFFAOYSA-N 0 3 269.339 1.826 10 10 CDCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279166646 521145970 /nfs/dbraw/zinc/14/59/70/521145970.db2.gz BHNBURQYEGQBFN-INIZCTEOSA-N 0 3 290.363 1.503 10 10 CDCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000279166646 521145977 /nfs/dbraw/zinc/14/59/77/521145977.db2.gz BHNBURQYEGQBFN-INIZCTEOSA-N 0 3 290.363 1.503 10 10 CDCEHN Oc1ccccc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289635448 526371134 /nfs/dbraw/zinc/37/11/34/526371134.db2.gz XEXZGROWZLIDGW-OAHLLOKOSA-N 0 3 263.337 1.774 10 10 CDCEHN [O-]c1ccccc1C[NH2+]C1(CCO)CCOCC1 ZINC000761992611 576610962 /nfs/dbraw/zinc/61/09/62/576610962.db2.gz FJNGCKHDOQOOQD-UHFFFAOYSA-N 0 3 251.326 1.413 10 10 CDCEHN CON1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000905763185 626968288 /nfs/dbraw/zinc/96/82/88/626968288.db2.gz BRKYJLQXTDLEOF-FZMZJTMJSA-N 0 3 277.368 1.566 10 10 CDCEHN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(C)C1 ZINC001638824411 1166876113 /nfs/dbraw/zinc/87/61/13/1166876113.db2.gz PTKSMARRRFTULQ-ZDUSSCGKSA-N 0 3 292.379 1.583 10 10 CDCEHN C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)N(C)C ZINC000037267790 1165763064 /nfs/dbraw/zinc/76/30/64/1165763064.db2.gz YJTIUQKQHUBSRA-CYBMUJFWSA-N 0 3 275.396 1.853 10 10 CDCEHN C[C@H](NC(=O)[C@H](N)CC(F)F)c1ccccc1O ZINC000870988731 828869364 /nfs/dbraw/zinc/86/93/64/828869364.db2.gz XZHLJDIEGHTXTM-IONNQARKSA-N 0 3 258.268 1.552 10 10 CDCEHN C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000715273107 829004961 /nfs/dbraw/zinc/00/49/61/829004961.db2.gz IBJSXSJPUAKJLC-WHXUTIOJSA-N 0 3 269.366 1.618 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000862508304 833351555 /nfs/dbraw/zinc/35/15/55/833351555.db2.gz QCHITCYCFYLEKX-CYBMUJFWSA-N 0 3 284.787 1.774 10 10 CDCEHN C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642129 833365602 /nfs/dbraw/zinc/36/56/02/833365602.db2.gz JHVCNWKLHWLFHX-VXGBXAGGSA-N 0 3 296.392 1.389 10 10 CDCEHN C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000854642129 833365604 /nfs/dbraw/zinc/36/56/04/833365604.db2.gz JHVCNWKLHWLFHX-VXGBXAGGSA-N 0 3 296.392 1.389 10 10 CDCEHN CCOc1ccc(C[NH2+]C2(CC(=O)OC)CC2)c([O-])c1 ZINC000846026230 829680281 /nfs/dbraw/zinc/68/02/81/829680281.db2.gz CDOKMXUNWJMYAF-UHFFFAOYSA-N 0 3 279.336 1.976 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H](C)N)c1 ZINC000817978007 829710821 /nfs/dbraw/zinc/71/08/21/829710821.db2.gz TVEHEGJKPGVKMD-AEJSXWLSSA-N 0 3 266.341 1.565 10 10 CDCEHN CN1C[C@@H](CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000723538412 830376004 /nfs/dbraw/zinc/37/60/04/830376004.db2.gz CKSSMBHLQSXBOJ-WCQYABFASA-N 0 3 274.364 1.838 10 10 CDCEHN CN1CCOC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000700214444 832345234 /nfs/dbraw/zinc/34/52/34/832345234.db2.gz ZKZAUVSFIDPVRH-QWHCGFSZSA-N 0 3 262.353 1.300 10 10 CDCEHN CN(C)c1ccc(C=CCNCc2c[nH]nn2)cc1 ZINC000858197163 832877348 /nfs/dbraw/zinc/87/73/48/832877348.db2.gz FAFGPWMWKFAQJP-ONEGZZNKSA-N 0 3 257.341 1.674 10 10 CDCEHN O=C1O[C@H](CNCc2ccc3c(c2)CCO3)CN1C1CC1 ZINC000848577582 834007428 /nfs/dbraw/zinc/00/74/28/834007428.db2.gz HEVMCJQHJHTQIK-CQSZACIVSA-N 0 3 288.347 1.694 10 10 CDCEHN COc1cccc(CNCc2cnn3c2CCC3)c1O ZINC000825915980 834646710 /nfs/dbraw/zinc/64/67/10/834646710.db2.gz GGICNOXBJRAUAZ-UHFFFAOYSA-N 0 3 273.336 1.833 10 10 CDCEHN C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)ccc1[O-] ZINC000850506633 834881260 /nfs/dbraw/zinc/88/12/60/834881260.db2.gz GEKPUQCDCCNINW-XHDPSFHLSA-N 0 3 299.342 1.350 10 10 CDCEHN C[C@@H]([NH2+]CC1(N)CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000863542118 834926046 /nfs/dbraw/zinc/92/60/46/834926046.db2.gz RTSFJIUGNWKXQV-SECBINFHSA-N 0 3 286.322 1.829 10 10 CDCEHN COC[C@]1(C)CN(Cc2cccc(C)c2O)CCO1 ZINC000862551492 835698415 /nfs/dbraw/zinc/69/84/15/835698415.db2.gz NKTSPTLXAOFCRX-HNNXBMFYSA-N 0 3 265.353 1.938 10 10 CDCEHN Cc1cc(O)c(CN2CCOC[C@@H](O)C2)cc1C ZINC000294871893 199225061 /nfs/dbraw/zinc/22/50/61/199225061.db2.gz UUEWYTSNHUJRPO-ZDUSSCGKSA-N 0 3 251.326 1.202 10 10 CDCEHN Cc1cccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1[O-] ZINC000271695175 364993776 /nfs/dbraw/zinc/99/37/76/364993776.db2.gz AXNWRQWMSFDLDQ-GFCCVEGCSA-N 0 3 298.408 1.201 10 10 CDCEHN Cc1cccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1[O-] ZINC000271695175 364993780 /nfs/dbraw/zinc/99/37/80/364993780.db2.gz AXNWRQWMSFDLDQ-GFCCVEGCSA-N 0 3 298.408 1.201 10 10 CDCEHN COc1ccc(O)c([C@H](C)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000081902210 295168648 /nfs/dbraw/zinc/16/86/48/295168648.db2.gz SKLFYDCUOLFKOY-UWVGGRQHSA-N 0 3 287.381 1.485 10 10 CDCEHN COC[C@@](C)(CCO)[NH2+]Cc1cccc(C)c1[O-] ZINC000182560801 391237678 /nfs/dbraw/zinc/23/76/78/391237678.db2.gz NDLNDYDIOXZMJQ-CQSZACIVSA-N 0 3 253.342 1.578 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c([O-])c1 ZINC000527957270 393005773 /nfs/dbraw/zinc/00/57/73/393005773.db2.gz QWNSOPSXNWLWPO-NILFDRSVSA-N 0 3 265.353 1.891 10 10 CDCEHN [O-]c1c(O)ccc2c1C[NH2+]C[C@H]2c1ccc(O)c(O)c1 ZINC000033900779 296591629 /nfs/dbraw/zinc/59/16/29/296591629.db2.gz FULLEMQICAKPOE-JTQLQIEISA-N 0 3 273.288 1.744 10 10 in-man CDCEHN CCN1CCC/C1=C/C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000038644706 174150677 /nfs/dbraw/zinc/15/06/77/174150677.db2.gz KLYFADFDIJGCMP-YFHOEESVSA-N 0 3 293.392 1.128 10 10 CDCEHN Nc1ccc(CC(=O)N2CCCN(C3CC3)CC2)cc1 ZINC000178747078 329200296 /nfs/dbraw/zinc/20/02/96/329200296.db2.gz ISQRSHQFZCRKCU-UHFFFAOYSA-N 0 3 273.380 1.508 10 10 CDCEHN COc1ccc(N2CCCN([C@@H]3CCOC3)CC2)cc1 ZINC000770508668 575458462 /nfs/dbraw/zinc/45/84/62/575458462.db2.gz CWQCKNRYEWURQU-OAHLLOKOSA-N 0 3 276.380 1.996 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]C2(CCO)CCOCC2)c1 ZINC000761993767 576611222 /nfs/dbraw/zinc/61/12/22/576611222.db2.gz MMUPSAZHDASLSO-UHFFFAOYSA-N 0 3 265.353 1.722 10 10 CDCEHN COc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)c1O ZINC000925326463 621553695 /nfs/dbraw/zinc/55/36/95/621553695.db2.gz YOYQNRORBBSYLO-ZYHUDNBSSA-N 0 3 293.367 1.293 10 10 CDCEHN C[C@@H]1[C@@H](NC(=O)NCc2ccccc2O)CCN1C ZINC000915518631 631757752 /nfs/dbraw/zinc/75/77/52/631757752.db2.gz XLODLBCZKJEHIK-PWSUYJOCSA-N 0 3 263.341 1.284 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@](C)(F)C2)c1[O-] ZINC000843388011 835926052 /nfs/dbraw/zinc/92/60/52/835926052.db2.gz SLMFNRSOMRCHJX-HNNXBMFYSA-N 0 3 298.333 1.867 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(COC2)O1 ZINC000929977523 836888727 /nfs/dbraw/zinc/88/87/27/836888727.db2.gz VRMBDOCBLYLVEQ-ZDUSSCGKSA-N 0 3 263.337 1.772 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(COC2)O1 ZINC000929977523 836888728 /nfs/dbraw/zinc/88/87/28/836888728.db2.gz VRMBDOCBLYLVEQ-ZDUSSCGKSA-N 0 3 263.337 1.772 10 10 CDCEHN CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([O-])cs1 ZINC000848376966 838233675 /nfs/dbraw/zinc/23/36/75/838233675.db2.gz RVZTXEUTZMCBOH-SNVBAGLBSA-N 0 3 286.397 1.276 10 10 CDCEHN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccccc1[O-] ZINC000700143021 840506157 /nfs/dbraw/zinc/50/61/57/840506157.db2.gz NSEFDZAIEGOIPA-NEPJUHHUSA-N 0 3 250.342 1.373 10 10 CDCEHN COC[C@](C)(CO)NCc1ccc(N(C)C)c(F)c1 ZINC000777483079 841859542 /nfs/dbraw/zinc/85/95/42/841859542.db2.gz DMCPZTDPTZUUJS-AWEZNQCLSA-N 0 3 270.348 1.379 10 10 CDCEHN C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129901 841960937 /nfs/dbraw/zinc/96/09/37/841960937.db2.gz HOJYHHHEYZDWTA-MFKMUULPSA-N 0 3 269.316 1.503 10 10 CDCEHN C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000825129901 841960943 /nfs/dbraw/zinc/96/09/43/841960943.db2.gz HOJYHHHEYZDWTA-MFKMUULPSA-N 0 3 269.316 1.503 10 10 CDCEHN O=S1(=O)CCC[C@H]1CC[NH2+]Cc1ccccc1[O-] ZINC000714362181 842283149 /nfs/dbraw/zinc/28/31/49/842283149.db2.gz DYBXGWCTMKMAET-LBPRGKRZSA-N 0 3 269.366 1.449 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000817983688 842587730 /nfs/dbraw/zinc/58/77/30/842587730.db2.gz IGHUVGPRDZUJMF-WCQYABFASA-N 0 3 292.379 1.972 10 10 CDCEHN COc1ccc(N(C)CCN(C)C[C@@H](O)C(C)(C)O)cc1 ZINC001646717634 1168058669 /nfs/dbraw/zinc/05/86/69/1168058669.db2.gz BVKLKIBNBYEFSA-OAHLLOKOSA-N 0 3 296.411 1.195 10 10 CDCEHN CCc1cccc(CN2CCC[C@H]2C(=O)NC)c1O ZINC000692129753 934547387 /nfs/dbraw/zinc/54/73/87/934547387.db2.gz PCHKLAWSJCVUFJ-ZDUSSCGKSA-N 0 3 262.353 1.665 10 10 CDCEHN CCO[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1C[NH3+] ZINC000405339631 940982252 /nfs/dbraw/zinc/98/22/52/940982252.db2.gz MBWZQJKMGYOKAH-QMTHXVAHSA-N 0 3 284.787 1.841 10 10 CDCEHN C[C@]12COC[C@H]1C[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC001327697513 955003981 /nfs/dbraw/zinc/00/39/81/955003981.db2.gz GQEAQRXHJDFXIQ-XFJVYGCCSA-N 0 3 291.347 1.286 10 10 CDCEHN C[C@]12COC[C@H]1C[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC001327697513 955003993 /nfs/dbraw/zinc/00/39/93/955003993.db2.gz GQEAQRXHJDFXIQ-XFJVYGCCSA-N 0 3 291.347 1.286 10 10 CDCEHN CCOc1ccc(CN2CCNC(=O)CC2(C)C)c(O)c1 ZINC001350326915 966636019 /nfs/dbraw/zinc/63/60/19/966636019.db2.gz IATAXGZYLDPIHS-UHFFFAOYSA-N 0 3 292.379 1.891 10 10 CDCEHN CCOc1ccc(C[N@@H+]2CCNC(=O)CC2(C)C)c([O-])c1 ZINC001350326915 966636022 /nfs/dbraw/zinc/63/60/22/966636022.db2.gz IATAXGZYLDPIHS-UHFFFAOYSA-N 0 3 292.379 1.891 10 10 CDCEHN CCOc1ccc(C[N@H+]2CCNC(=O)CC2(C)C)c([O-])c1 ZINC001350326915 966636025 /nfs/dbraw/zinc/63/60/25/966636025.db2.gz IATAXGZYLDPIHS-UHFFFAOYSA-N 0 3 292.379 1.891 10 10 CDCEHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])[C@H](O)C(F)F ZINC000294992840 199289165 /nfs/dbraw/zinc/28/91/65/199289165.db2.gz HSGQUSDIJOKQOS-PWSUYJOCSA-N 0 3 275.295 1.895 10 10 CDCEHN CC[C@@H](O)CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000180163398 357248667 /nfs/dbraw/zinc/24/86/67/357248667.db2.gz MTYHFGIWIJOVGT-OAHLLOKOSA-N 0 3 278.396 1.589 10 10 CDCEHN CCOc1ccc(O)c(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000375298992 370804514 /nfs/dbraw/zinc/80/45/14/370804514.db2.gz FEBNCAKEUPVWTB-CQSZACIVSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000375298992 370804515 /nfs/dbraw/zinc/80/45/15/370804515.db2.gz FEBNCAKEUPVWTB-CQSZACIVSA-N 0 3 263.337 1.748 10 10 CDCEHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000375298992 370804517 /nfs/dbraw/zinc/80/45/17/370804517.db2.gz FEBNCAKEUPVWTB-CQSZACIVSA-N 0 3 263.337 1.748 10 10 CDCEHN C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1cc(O)ccc1[O-] ZINC000019947216 184535078 /nfs/dbraw/zinc/53/50/78/184535078.db2.gz MZDVLNJMELJNCL-YGRLFVJLSA-N 0 3 262.353 1.843 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2ccccc2O)CC1 ZINC000179581402 391212981 /nfs/dbraw/zinc/21/29/81/391212981.db2.gz XYVOEECYDYAXHM-AWEZNQCLSA-N 0 3 264.369 1.281 10 10 CDCEHN CCC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(C)C ZINC000183418703 391264648 /nfs/dbraw/zinc/26/46/48/391264648.db2.gz ZQIPQDPSWBHDCS-WCQYABFASA-N 0 3 294.395 1.875 10 10 CDCEHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1C ZINC000187123769 262125129 /nfs/dbraw/zinc/12/51/29/262125129.db2.gz DVGQIUOVDUWBCW-QWRGUYRKSA-N 0 3 278.352 1.653 10 10 CDCEHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1C ZINC000187123769 262125130 /nfs/dbraw/zinc/12/51/30/262125130.db2.gz DVGQIUOVDUWBCW-QWRGUYRKSA-N 0 3 278.352 1.653 10 10 CDCEHN CN1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCC1=O ZINC000297750987 277194729 /nfs/dbraw/zinc/19/47/29/277194729.db2.gz OJXQWGPYGFMYBM-NWDGAFQWSA-N 0 3 260.337 1.590 10 10 CDCEHN CN1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCC1=O ZINC000297750993 277195106 /nfs/dbraw/zinc/19/51/06/277195106.db2.gz OJXQWGPYGFMYBM-RYUDHWBXSA-N 0 3 260.337 1.590 10 10 CDCEHN O=C(C[NH2+]Cc1c([O-])ccc2ccccc21)NC1CC1 ZINC000036782415 526881533 /nfs/dbraw/zinc/88/15/33/526881533.db2.gz LYCKWBFMHSOZLZ-UHFFFAOYSA-N 0 3 270.332 1.914 10 10 CDCEHN COc1ccc(N2CCN(CCCC(N)=S)CC2)cc1 ZINC000019433525 536697080 /nfs/dbraw/zinc/69/70/80/536697080.db2.gz DXTZNBMAZVUOCJ-UHFFFAOYSA-N 0 3 293.436 1.884 10 10 CDCEHN CCOc1ccc(C[NH2+][C@@H]2CCCN(C)C2)c([O-])c1 ZINC000725846587 574443950 /nfs/dbraw/zinc/44/39/50/574443950.db2.gz MTTXPKZBONKRIJ-CYBMUJFWSA-N 0 3 264.369 1.975 10 10 CDCEHN COCCN1CC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000730817717 575012602 /nfs/dbraw/zinc/01/26/02/575012602.db2.gz SJWZMZDTNZEBBQ-ZDUSSCGKSA-N 0 3 280.368 1.211 10 10 CDCEHN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000734065830 575155355 /nfs/dbraw/zinc/15/53/55/575155355.db2.gz JFSFTIQEEOJVQK-GFCCVEGCSA-N 0 3 293.367 1.294 10 10 CDCEHN O[C@H](CNCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000771974677 575644209 /nfs/dbraw/zinc/64/42/09/575644209.db2.gz BUUFFWBKTAGGGL-OAHLLOKOSA-N 0 3 270.332 1.840 10 10 CDCEHN CCN(C[C@H]1CNCCO1)c1ccc(OC)cc1 ZINC000852745729 843657057 /nfs/dbraw/zinc/65/70/57/843657057.db2.gz XXAWEAADXYQDTB-CQSZACIVSA-N 0 3 250.342 1.510 10 10 CDCEHN CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000827544840 843824722 /nfs/dbraw/zinc/82/47/22/843824722.db2.gz LVOLZQPPRWHRNQ-ZDUSSCGKSA-N 0 3 277.368 1.580 10 10 CDCEHN CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000827544840 843824725 /nfs/dbraw/zinc/82/47/25/843824725.db2.gz LVOLZQPPRWHRNQ-ZDUSSCGKSA-N 0 3 277.368 1.580 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(F)ccc1[O-] ZINC000094618298 843829894 /nfs/dbraw/zinc/82/98/94/843829894.db2.gz XYLVARBHVRLAON-SCZZXKLOSA-N 0 3 252.289 1.461 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000840974616 844880295 /nfs/dbraw/zinc/88/02/95/844880295.db2.gz CYDXCWDWPQKTGF-JUPLKNRCSA-N 0 3 290.407 1.441 10 10 CDCEHN C[C@@H](NC1COCCOC1)c1ccc(N(C)C)cc1 ZINC000389110094 844977443 /nfs/dbraw/zinc/97/74/43/844977443.db2.gz KVKZMHFZIXWBAT-GFCCVEGCSA-N 0 3 264.369 1.819 10 10 CDCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000121141238 845536045 /nfs/dbraw/zinc/53/60/45/845536045.db2.gz UPJLPXRRYDMTNH-GJZGRUSLSA-N 0 3 295.379 1.381 10 10 CDCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000121141238 845536056 /nfs/dbraw/zinc/53/60/56/845536056.db2.gz UPJLPXRRYDMTNH-GJZGRUSLSA-N 0 3 295.379 1.381 10 10 CDCEHN COCCC1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000826899562 845592769 /nfs/dbraw/zinc/59/27/69/845592769.db2.gz OMSYFMCXERGGHK-UHFFFAOYSA-N 0 3 265.309 1.589 10 10 CDCEHN CCOc1ccc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c([O-])c1 ZINC000825130214 845916666 /nfs/dbraw/zinc/91/66/66/845916666.db2.gz PPZNTVFIIZTPIL-IUODEOHRSA-N 0 3 295.379 1.763 10 10 CDCEHN CCOc1ccc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c([O-])c1 ZINC000825130214 845916675 /nfs/dbraw/zinc/91/66/75/845916675.db2.gz PPZNTVFIIZTPIL-IUODEOHRSA-N 0 3 295.379 1.763 10 10 CDCEHN CC[C@H](C(=O)N[C@@H](C)c1ccccc1O)N(C)C ZINC000827973691 846198640 /nfs/dbraw/zinc/19/86/40/846198640.db2.gz WTLPLAVKDLSMPN-CMPLNLGQSA-N 0 3 250.342 1.910 10 10 CDCEHN CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000702518424 846391277 /nfs/dbraw/zinc/39/12/77/846391277.db2.gz SVAMZELIERCQQW-RNCFNFMXSA-N 0 3 257.305 1.579 10 10 CDCEHN COC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776174786 846675959 /nfs/dbraw/zinc/67/59/59/846675959.db2.gz SSBSOTNXJMJTGJ-ZDUSSCGKSA-N 0 3 273.760 1.841 10 10 CDCEHN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1[O-] ZINC000706722344 847359582 /nfs/dbraw/zinc/35/95/82/847359582.db2.gz IVTVOBCKNLZANU-SCRDCRAPSA-N 0 3 251.326 1.583 10 10 CDCEHN CC[NH+](CC)[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000792684151 847489371 /nfs/dbraw/zinc/48/93/71/847489371.db2.gz ZAKBFKUHOCYRER-SECBINFHSA-N 0 3 256.371 1.914 10 10 CDCEHN C[C@@H]1CCN(CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862025982 847498549 /nfs/dbraw/zinc/49/85/49/847498549.db2.gz DRXCMWFRUGPSPV-GFCCVEGCSA-N 0 3 299.374 1.898 10 10 CDCEHN CN(CC1CN(C)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855638565 847963670 /nfs/dbraw/zinc/96/36/70/847963670.db2.gz LUKZTTFYLQQBNG-GQCTYLIASA-N 0 3 276.336 1.131 10 10 CDCEHN COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000862473993 929419511 /nfs/dbraw/zinc/41/95/11/929419511.db2.gz KGBXGINJJZNNGI-CQSZACIVSA-N 0 3 265.309 1.156 10 10 CDCEHN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000862473993 929419516 /nfs/dbraw/zinc/41/95/16/929419516.db2.gz KGBXGINJJZNNGI-CQSZACIVSA-N 0 3 265.309 1.156 10 10 CDCEHN O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000126320907 932208675 /nfs/dbraw/zinc/20/86/75/932208675.db2.gz SCVJWNFNUPOUIW-NWDGAFQWSA-N 0 3 276.336 1.454 10 10 CDCEHN O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000126320907 932208681 /nfs/dbraw/zinc/20/86/81/932208681.db2.gz SCVJWNFNUPOUIW-NWDGAFQWSA-N 0 3 276.336 1.454 10 10 CDCEHN O=C(NCCC[NH+]1CCCC1)NCc1c([O-])cccc1F ZINC001332267089 957500261 /nfs/dbraw/zinc/50/02/61/957500261.db2.gz RFWBIIMJOWKESC-UHFFFAOYSA-N 0 3 295.358 1.816 10 10 CDCEHN COCCN1CCN(Cc2cc(OC)ccc2O)C[C@H]1C ZINC000180086213 357242324 /nfs/dbraw/zinc/24/23/24/357242324.db2.gz XCCZWUJTSDRPPM-CYBMUJFWSA-N 0 3 294.395 1.553 10 10 CDCEHN C[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134240361 361542563 /nfs/dbraw/zinc/54/25/63/361542563.db2.gz BMELIFHWLYZGPC-SCZZXKLOSA-N 0 3 251.282 1.388 10 10 CDCEHN COC[C@@](C)(CCO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000267346640 363800972 /nfs/dbraw/zinc/80/09/72/363800972.db2.gz LBJIKFDGQRPXOI-CQSZACIVSA-N 0 3 253.342 1.578 10 10 CDCEHN NCC[C@@H]([NH3+])c1ccc(F)c(Br)c1[O-] ZINC000306985979 364936270 /nfs/dbraw/zinc/93/62/70/364936270.db2.gz XADUAZDOVPETLE-SSDOTTSWSA-N 0 3 263.110 1.642 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000527954357 393005794 /nfs/dbraw/zinc/00/57/94/393005794.db2.gz JGMACNKGPBAJQJ-LKTVYLICSA-N 0 3 281.352 1.591 10 10 CDCEHN CCN(CCN1CCNC1=O)Cc1ccc(N)cc1 ZINC000035361387 172152462 /nfs/dbraw/zinc/15/24/62/172152462.db2.gz CUCDXWWQTBJWJX-UHFFFAOYSA-N 0 3 262.357 1.116 10 10 CDCEHN COc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529683497 281354763 /nfs/dbraw/zinc/35/47/63/281354763.db2.gz ZRHDUKZHNVHFQF-CKNLXJGOSA-N 0 3 295.404 1.886 10 10 CDCEHN COC(=O)CCCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000289835731 522993613 /nfs/dbraw/zinc/99/36/13/522993613.db2.gz PCHZKXLPVHFFPF-UHFFFAOYSA-N 0 3 295.335 1.944 10 10 CDCEHN CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCCO1 ZINC000096810773 523186054 /nfs/dbraw/zinc/18/60/54/523186054.db2.gz MOCLLNDNRJECOB-LLVKDONJSA-N 0 3 265.309 1.732 10 10 CDCEHN COc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1C ZINC000282472981 538842976 /nfs/dbraw/zinc/84/29/76/538842976.db2.gz UULNYIUDVIEOMY-AAEUAGOBSA-N 0 3 262.353 1.760 10 10 CDCEHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000768461393 576286544 /nfs/dbraw/zinc/28/65/44/576286544.db2.gz UHJVFEVYWQEADX-JTQLQIEISA-N 0 3 265.309 1.396 10 10 CDCEHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000768461393 576286546 /nfs/dbraw/zinc/28/65/46/576286546.db2.gz UHJVFEVYWQEADX-JTQLQIEISA-N 0 3 265.309 1.396 10 10 CDCEHN CCOc1cccc(C[NH2+]C2(CCO)CCOCC2)c1[O-] ZINC000761992993 576610947 /nfs/dbraw/zinc/61/09/47/576610947.db2.gz IZJIWNOJCFKLGZ-UHFFFAOYSA-N 0 3 295.379 1.812 10 10 CDCEHN C[C@H]1C[C@H]([NH2+]CCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000756674632 576999658 /nfs/dbraw/zinc/99/96/58/576999658.db2.gz ABVQRTXZMNMJPO-WPRPVWTQSA-N 0 3 291.330 1.435 10 10 CDCEHN CC(=O)c1cc(F)cc(CN2C[C@@H]([NH3+])C(C)(C)C2)c1[O-] ZINC000903551666 626022799 /nfs/dbraw/zinc/02/27/99/626022799.db2.gz VGGVIRDFFIUINO-CYBMUJFWSA-N 0 3 280.343 1.903 10 10 CDCEHN Cc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)c(O)c1O ZINC000912378553 629951058 /nfs/dbraw/zinc/95/10/58/629951058.db2.gz RVEJXNYQSFDNNM-MRXNPFEDSA-N 0 3 290.363 1.620 10 10 CDCEHN FC1(F)CCNC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841075800 697836840 /nfs/dbraw/zinc/83/68/40/697836840.db2.gz XJYRNPGZMLXADH-ZDUSSCGKSA-N 0 3 268.307 1.708 10 10 CDCEHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000812290512 697873120 /nfs/dbraw/zinc/87/31/20/697873120.db2.gz DVJZQJBKDTZEEP-IUODEOHRSA-N 0 3 293.363 1.817 10 10 CDCEHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000812290512 697873123 /nfs/dbraw/zinc/87/31/23/697873123.db2.gz DVJZQJBKDTZEEP-IUODEOHRSA-N 0 3 293.363 1.817 10 10 CDCEHN C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(F)ccc1[O-] ZINC000866495524 697883522 /nfs/dbraw/zinc/88/35/22/697883522.db2.gz DHCJGKIELCFGBN-SNVBAGLBSA-N 0 3 288.326 1.861 10 10 CDCEHN CN(C)c1ccc(/C=C/CN2CCC(O)(CO)CC2)cc1 ZINC000827141813 698309396 /nfs/dbraw/zinc/30/93/96/698309396.db2.gz YEUJGEVHMAZMCZ-ONEGZZNKSA-N 0 3 290.407 1.585 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1(S(C)(=O)=O)CC1 ZINC000834799160 698859819 /nfs/dbraw/zinc/85/98/19/698859819.db2.gz WVTSEYKIVRRESZ-ZYHUDNBSSA-N 0 3 295.404 1.935 10 10 CDCEHN COC[C@@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000802310764 698882724 /nfs/dbraw/zinc/88/27/24/698882724.db2.gz VYIXYZHNQVHVBZ-ATZCPNFKSA-N 0 3 269.316 1.677 10 10 CDCEHN C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000850545727 698952175 /nfs/dbraw/zinc/95/21/75/698952175.db2.gz DQGWYMJIBSMBAM-ATZCPNFKSA-N 0 3 278.327 1.948 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)CC2 ZINC000850510959 704873413 /nfs/dbraw/zinc/87/34/13/704873413.db2.gz YSKPLHCZHWZKNH-XJKSGUPXSA-N 0 3 293.363 1.137 10 10 CDCEHN COc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)c(O)c1 ZINC000925338054 704952771 /nfs/dbraw/zinc/95/27/71/704952771.db2.gz KRCSCJTZQVZSTN-GWCFXTLKSA-N 0 3 293.367 1.293 10 10 CDCEHN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(C)cc1[O-] ZINC000818361971 705299878 /nfs/dbraw/zinc/29/98/78/705299878.db2.gz MOGAKPKVTDIYAN-OLZOCXBDSA-N 0 3 290.363 1.889 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000858494824 848374368 /nfs/dbraw/zinc/37/43/68/848374368.db2.gz ONBLXHMTYRUYBT-CDLYGTGVSA-N 0 3 278.327 1.933 10 10 CDCEHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(CO)OC)c1[O-] ZINC000702535418 848831961 /nfs/dbraw/zinc/83/19/61/848831961.db2.gz AHOFZPUNHYKXIT-ZDUSSCGKSA-N 0 3 289.759 1.541 10 10 CDCEHN C[NH+](C)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126265430 849104722 /nfs/dbraw/zinc/10/47/22/849104722.db2.gz IOFOXAYGHMLFQP-UHFFFAOYSA-N 0 3 264.325 1.264 10 10 CDCEHN Oc1cc2c(cc1CNC[C@H](O)C(F)(F)F)OCO2 ZINC000227439409 849173354 /nfs/dbraw/zinc/17/33/54/849173354.db2.gz LATQTESSTYTOGG-JTQLQIEISA-N 0 3 279.214 1.134 10 10 CDCEHN [O-]c1cccc2c1[C@H]([NH2+]CCCn1ccnn1)CC2 ZINC000389201635 850163814 /nfs/dbraw/zinc/16/38/14/850163814.db2.gz ROWSSXOIZRSKOU-GFCCVEGCSA-N 0 3 258.325 1.651 10 10 CDCEHN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090023157 850296270 /nfs/dbraw/zinc/29/62/70/850296270.db2.gz DJCQBKHYGXHCHC-ONGXEEELSA-N 0 3 262.309 1.190 10 10 CDCEHN COc1ccc(N2CCN([C@H](C)[C@H](C)O)CC2)cc1F ZINC001168069620 906652802 /nfs/dbraw/zinc/65/28/02/906652802.db2.gz ZUGVEAPKRSOWLH-NEPJUHHUSA-N 0 3 282.359 1.726 10 10 CDCEHN C[C@]12COC[C@H]1C[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC001327697511 955003136 /nfs/dbraw/zinc/00/31/36/955003136.db2.gz GQEAQRXHJDFXIQ-WPGHFRTFSA-N 0 3 291.347 1.286 10 10 CDCEHN C[C@]12COC[C@H]1C[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC001327697511 955003146 /nfs/dbraw/zinc/00/31/46/955003146.db2.gz GQEAQRXHJDFXIQ-WPGHFRTFSA-N 0 3 291.347 1.286 10 10 CDCEHN Nc1ccc(N2CCN(C3CCOCC3)CC2)cc1 ZINC000069290421 342089518 /nfs/dbraw/zinc/08/95/18/342089518.db2.gz HHTHIBYEKKFGIK-UHFFFAOYSA-N 0 3 261.369 1.570 10 10 CDCEHN COc1ccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c([O-])c1 ZINC000083383244 178385690 /nfs/dbraw/zinc/38/56/90/178385690.db2.gz RWAUFZYTNXEYSZ-GHMZBOCLSA-N 0 3 250.342 1.583 10 10 CDCEHN COc1ccc(C[NH2+][C@H](C(N)=O)C(C)C)c([O-])c1 ZINC000223970073 539087814 /nfs/dbraw/zinc/08/78/14/539087814.db2.gz MJFSGKFATRVPRC-LBPRGKRZSA-N 0 3 252.314 1.000 10 10 CDCEHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H](O)C(F)F ZINC000295121350 199356421 /nfs/dbraw/zinc/35/64/21/199356421.db2.gz WPKOBGMLNPNJEJ-SKDRFNHKSA-N 0 3 275.295 1.895 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000091667520 260266565 /nfs/dbraw/zinc/26/65/65/260266565.db2.gz TXSLTRINXCPVEA-CHWSQXEVSA-N 0 3 264.369 1.682 10 10 CDCEHN CN(C)c1ccc(CN2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000184236433 329258142 /nfs/dbraw/zinc/25/81/42/329258142.db2.gz FAIXLELQUNITGM-INIZCTEOSA-N 0 3 275.396 1.983 10 10 CDCEHN CCN(CCO)c1ccc(CNCCOC)cc1C ZINC000062736441 521122863 /nfs/dbraw/zinc/12/28/63/521122863.db2.gz LOORBUDQSHIUIV-UHFFFAOYSA-N 0 3 266.385 1.550 10 10 CDCEHN CCOc1cccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000279393925 521345716 /nfs/dbraw/zinc/34/57/16/521345716.db2.gz KNNKDKRISRDLBG-MRXNPFEDSA-N 0 3 290.363 1.503 10 10 CDCEHN CCOc1cccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000279393925 521345722 /nfs/dbraw/zinc/34/57/22/521345722.db2.gz KNNKDKRISRDLBG-MRXNPFEDSA-N 0 3 290.363 1.503 10 10 CDCEHN COc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1C ZINC000282472985 538842925 /nfs/dbraw/zinc/84/29/25/538842925.db2.gz UULNYIUDVIEOMY-DGCLKSJQSA-N 0 3 262.353 1.760 10 10 CDCEHN Cc1ccc([O-])c(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000733328197 575114950 /nfs/dbraw/zinc/11/49/50/575114950.db2.gz KMLUWXRFGVMLGB-UHFFFAOYSA-N 0 3 298.408 1.216 10 10 CDCEHN CC[C@H](C[NH2+]Cc1c(C)cccc1[O-])C(=O)OC ZINC000895127224 619322783 /nfs/dbraw/zinc/32/27/83/619322783.db2.gz GVDXPQSUFNBXDQ-LLVKDONJSA-N 0 3 251.326 1.989 10 10 CDCEHN COc1ccc(N2CC[C@@H](NCc3c[nH]cn3)C2)cc1 ZINC000895228005 619464933 /nfs/dbraw/zinc/46/49/33/619464933.db2.gz HXCLZUMKATXDMA-GFCCVEGCSA-N 0 3 272.352 1.787 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c([O-])c1 ZINC000903281690 625952884 /nfs/dbraw/zinc/95/28/84/625952884.db2.gz QQYSNAJECGHMBU-CZUORRHYSA-N 0 3 294.395 1.044 10 10 CDCEHN Cc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)c(O)c1O ZINC000912378551 629950554 /nfs/dbraw/zinc/95/05/54/629950554.db2.gz RVEJXNYQSFDNNM-INIZCTEOSA-N 0 3 290.363 1.620 10 10 CDCEHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[N@H+](C)C1CC1 ZINC000916851366 632090597 /nfs/dbraw/zinc/09/05/97/632090597.db2.gz NYYPQNBKKAKIKT-JTQLQIEISA-N 0 3 295.358 1.813 10 10 CDCEHN C[C@@H](CNC(=O)NCc1c([O-])cccc1F)[N@@H+](C)C1CC1 ZINC000916851366 632090601 /nfs/dbraw/zinc/09/06/01/632090601.db2.gz NYYPQNBKKAKIKT-JTQLQIEISA-N 0 3 295.358 1.813 10 10 CDCEHN C[C@H]1[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCN1C ZINC000925347017 633206461 /nfs/dbraw/zinc/20/64/61/633206461.db2.gz WHDOGSGROGBEIX-GWCFXTLKSA-N 0 3 275.352 1.510 10 10 CDCEHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1O ZINC001642831048 1167201671 /nfs/dbraw/zinc/20/16/71/1167201671.db2.gz OKTYAOKVYARVTI-NEPJUHHUSA-N 0 3 262.353 1.911 10 10 CDCEHN C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(F)ccc1[O-] ZINC000700232028 705867918 /nfs/dbraw/zinc/86/79/18/705867918.db2.gz KJSOUEICJBESGV-ZYHUDNBSSA-N 0 3 268.332 1.513 10 10 CDCEHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CC[C@H](C)C1 ZINC000847696042 705877715 /nfs/dbraw/zinc/87/77/15/705877715.db2.gz KLNLYJFELFPNLV-RYUDHWBXSA-N 0 3 292.379 1.487 10 10 CDCEHN COc1cccc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850369659 705885086 /nfs/dbraw/zinc/88/50/86/705885086.db2.gz WYWCUOLIFLLETB-PWSUYJOCSA-N 0 3 299.392 1.456 10 10 CDCEHN C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccccc1[O-] ZINC000135719666 706105499 /nfs/dbraw/zinc/10/54/99/706105499.db2.gz KICODQMQMGOUGQ-LBPRGKRZSA-N 0 3 278.352 1.292 10 10 CDCEHN COCC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000787335456 710236224 /nfs/dbraw/zinc/23/62/24/710236224.db2.gz RDNSTFHQJKDFAV-ZDUSSCGKSA-N 0 3 269.316 1.769 10 10 CDCEHN COCC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000787335456 710236238 /nfs/dbraw/zinc/23/62/38/710236238.db2.gz RDNSTFHQJKDFAV-ZDUSSCGKSA-N 0 3 269.316 1.769 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c([O-])c1 ZINC000927134501 710698441 /nfs/dbraw/zinc/69/84/41/710698441.db2.gz JAONYIROFPRKLU-XHDPSFHLSA-N 0 3 275.352 1.818 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2C)c2c1c(F)ccc2[O-] ZINC000858523162 711625937 /nfs/dbraw/zinc/62/59/37/711625937.db2.gz NZTFTCKBADYFRW-NTZNESFSSA-N 0 3 294.370 2.000 10 10 CDCEHN COc1ccc(O)c(CN[C@H](C)c2ccnn2C)c1 ZINC000192997352 711676952 /nfs/dbraw/zinc/67/69/52/711676952.db2.gz OYSZARPUIJWTJD-SNVBAGLBSA-N 0 3 261.325 1.985 10 10 CDCEHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000846190016 711726231 /nfs/dbraw/zinc/72/62/31/711726231.db2.gz ONBLXHMTYRUYBT-REIXXSIJSA-N 0 3 278.327 1.933 10 10 CDCEHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)C(F)F ZINC000295022115 199304203 /nfs/dbraw/zinc/30/42/03/199304203.db2.gz KRAMAHAOAMRLHC-PELKAZGASA-N 0 3 289.278 1.615 10 10 CDCEHN CC[C@@H](O)CN1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000180163673 357247839 /nfs/dbraw/zinc/24/78/39/357247839.db2.gz OZOXOORFOQGLJJ-CQSZACIVSA-N 0 3 294.395 1.289 10 10 CDCEHN COc1ccc(O)c(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295126060 371134012 /nfs/dbraw/zinc/13/40/12/371134012.db2.gz NXCZYBABLZHIQG-HOCLYGCPSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1ccc([O-])c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295126060 371134017 /nfs/dbraw/zinc/13/40/17/371134017.db2.gz NXCZYBABLZHIQG-HOCLYGCPSA-N 0 3 292.379 1.306 10 10 CDCEHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295126060 371134021 /nfs/dbraw/zinc/13/40/21/371134021.db2.gz NXCZYBABLZHIQG-HOCLYGCPSA-N 0 3 292.379 1.306 10 10 CDCEHN CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000091667599 260266525 /nfs/dbraw/zinc/26/65/25/260266525.db2.gz SMUVVTHMTHSOKV-TZMCWYRMSA-N 0 3 264.369 1.764 10 10 CDCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000185993796 262074972 /nfs/dbraw/zinc/07/49/72/262074972.db2.gz YXHDKBJTKJHMJC-WDEREUQCSA-N 0 3 288.351 1.658 10 10 CDCEHN CCOc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1[O-] ZINC000282510048 276380429 /nfs/dbraw/zinc/38/04/29/276380429.db2.gz XJDIGYDNCXENDQ-JQWIXIFHSA-N 0 3 278.352 1.548 10 10 CDCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000084062918 525744881 /nfs/dbraw/zinc/74/48/81/525744881.db2.gz ZDJNNORLXQACJA-VXGBXAGGSA-N 0 3 262.353 1.972 10 10 CDCEHN O[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000769563496 575360441 /nfs/dbraw/zinc/36/04/41/575360441.db2.gz KLRPRQYHZDGOIB-CALCHBBNSA-N 0 3 290.407 1.604 10 10 CDCEHN [O-]c1ccccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895695730 619807630 /nfs/dbraw/zinc/80/76/30/619807630.db2.gz DLHNYRDUTQWXGT-UHFFFAOYSA-N 0 3 263.337 1.774 10 10 CDCEHN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000918745964 632437674 /nfs/dbraw/zinc/43/76/74/632437674.db2.gz UWTDDGWSCKMOFY-GWCFXTLKSA-N 0 3 293.367 1.293 10 10 CDCEHN Cn1nc2c(c1CNCc1ccccc1O)COCC2 ZINC000921652743 633128459 /nfs/dbraw/zinc/12/84/59/633128459.db2.gz QYOIKKOVIITABO-UHFFFAOYSA-N 0 3 273.336 1.488 10 10 CDCEHN Cn1nc2c(c1C[NH2+]Cc1ccccc1[O-])COCC2 ZINC000921652743 633128461 /nfs/dbraw/zinc/12/84/61/633128461.db2.gz QYOIKKOVIITABO-UHFFFAOYSA-N 0 3 273.336 1.488 10 10 CDCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000817978010 711872046 /nfs/dbraw/zinc/87/20/46/711872046.db2.gz TVEHEGJKPGVKMD-UTLUCORTSA-N 0 3 266.341 1.565 10 10 CDCEHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000835084018 712023583 /nfs/dbraw/zinc/02/35/83/712023583.db2.gz ISTHSAPGDDNDLK-PWSUYJOCSA-N 0 3 251.326 1.651 10 10 CDCEHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850388330 712076503 /nfs/dbraw/zinc/07/65/03/712076503.db2.gz LGDVCXBYNUCVOJ-KGLIPLIRSA-N 0 3 263.337 1.794 10 10 CDCEHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000834673932 712252280 /nfs/dbraw/zinc/25/22/80/712252280.db2.gz XSIYTXWKDZEOLR-SAXRGWBVSA-N 0 3 286.375 1.978 10 10 CDCEHN Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000925344673 712398169 /nfs/dbraw/zinc/39/81/69/712398169.db2.gz LZKDELMESIDNJL-AAEUAGOBSA-N 0 3 277.368 1.592 10 10 CDCEHN C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(F)ccc1[O-] ZINC000718406938 712446742 /nfs/dbraw/zinc/44/67/42/712446742.db2.gz SLPBJLRNZNEHSX-FKTRJACZSA-N 0 3 266.316 1.836 10 10 CDCEHN COc1ccc(O)c([C@H](C)NC(=O)C(N)C(F)(F)F)c1 ZINC000828667513 712473174 /nfs/dbraw/zinc/47/31/74/712473174.db2.gz RQXUJXINEFHQCR-QUBYGPBYSA-N 0 3 292.257 1.468 10 10 CDCEHN Cc1cc(N(C)C)ccc1CNC1COCCOC1 ZINC000840950987 712681290 /nfs/dbraw/zinc/68/12/90/712681290.db2.gz WJLQFZXPKRLUQT-UHFFFAOYSA-N 0 3 264.369 1.566 10 10 CDCEHN COC(=O)N(C)CCN(C)Cc1cc(F)ccc1O ZINC000690814715 899779687 /nfs/dbraw/zinc/77/96/87/899779687.db2.gz DKQYRYAZTLVGFC-UHFFFAOYSA-N 0 3 270.304 1.661 10 10 CDCEHN COc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC000925338057 917319262 /nfs/dbraw/zinc/31/92/62/917319262.db2.gz KRCSCJTZQVZSTN-ZWNOBZJWSA-N 0 3 293.367 1.293 10 10 CDCEHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000827364956 936588724 /nfs/dbraw/zinc/58/87/24/936588724.db2.gz IFMGXPHSKVLIAU-QWHCGFSZSA-N 0 3 251.301 1.924 10 10 CDCEHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2C)c([O-])c1 ZINC000700209751 922189639 /nfs/dbraw/zinc/18/96/39/922189639.db2.gz LTMPMPULBBUVOB-STQMWFEESA-N 0 3 264.369 1.682 10 10 CDCEHN COC[C@@]1(C)CN(Cc2cccc(C)c2O)CCO1 ZINC000862551494 929425942 /nfs/dbraw/zinc/42/59/42/929425942.db2.gz NKTSPTLXAOFCRX-OAHLLOKOSA-N 0 3 265.353 1.938 10 10 CDCEHN COc1ccc(O)c([C@@H](C)NC(=O)C(N)C(F)(F)F)c1 ZINC000828667511 931339985 /nfs/dbraw/zinc/33/99/85/931339985.db2.gz RQXUJXINEFHQCR-LDWIPMOCSA-N 0 3 292.257 1.468 10 10 CDCEHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cccc1OC ZINC000824635580 931472772 /nfs/dbraw/zinc/47/27/72/931472772.db2.gz IMSWMUWAPUYWPC-WCQYABFASA-N 0 3 265.353 1.994 10 10 CDCEHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cccc1OC ZINC000824635580 931472778 /nfs/dbraw/zinc/47/27/78/931472778.db2.gz IMSWMUWAPUYWPC-WCQYABFASA-N 0 3 265.353 1.994 10 10 CDCEHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000795675115 934910969 /nfs/dbraw/zinc/91/09/69/934910969.db2.gz PNBWXNVPTBQCBB-UHIISALHSA-N 0 3 279.336 1.427 10 10 CDCEHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000795675115 934910973 /nfs/dbraw/zinc/91/09/73/934910973.db2.gz PNBWXNVPTBQCBB-UHIISALHSA-N 0 3 279.336 1.427 10 10 CDCEHN C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000404193670 940957347 /nfs/dbraw/zinc/95/73/47/940957347.db2.gz LWZIDMOOIZQEMG-QMTHXVAHSA-N 0 3 269.316 1.723 10 10 CDCEHN COc1cccc(CNC(=O)CN2CC[C@@H](C)C2)c1O ZINC000847589448 967721873 /nfs/dbraw/zinc/72/18/73/967721873.db2.gz JWJKJZPTOWIEOX-LLVKDONJSA-N 0 3 278.352 1.359 10 10 CDCEHN COc1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)c([O-])c1 ZINC000223970015 539087849 /nfs/dbraw/zinc/08/78/49/539087849.db2.gz MJFSGKFATRVPRC-GFCCVEGCSA-N 0 3 252.314 1.000 10 10 CDCEHN [O-]c1cc(O)ccc1C[NH2+]CCc1cscn1 ZINC000104435164 186001718 /nfs/dbraw/zinc/00/17/18/186001718.db2.gz MSMVUWUOHMMNCU-UHFFFAOYSA-N 0 3 250.323 1.887 10 10 CDCEHN [O-]c1cc2c(cc1C[NH2+]CCn1ccnc1)OCO2 ZINC000042880413 358983674 /nfs/dbraw/zinc/98/36/74/358983674.db2.gz WUQYYBNEAMOYNW-UHFFFAOYSA-N 0 3 261.281 1.107 10 10 CDCEHN CN1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCC1=O ZINC000226610997 359703773 /nfs/dbraw/zinc/70/37/73/359703773.db2.gz NHJBZMIMUPPOOO-LLVKDONJSA-N 0 3 252.289 1.242 10 10 CDCEHN CC[C@@H](O)CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000123522237 360293469 /nfs/dbraw/zinc/29/34/69/360293469.db2.gz HBKPUABZGLLCRV-MRXNPFEDSA-N 0 3 292.423 1.898 10 10 CDCEHN Cc1cc(Cl)cc(C[NH2+]CC(=O)NC2CC2)c1[O-] ZINC000297361832 371986056 /nfs/dbraw/zinc/98/60/56/371986056.db2.gz GTNKXVCVKJTCMP-UHFFFAOYSA-N 0 3 268.744 1.722 10 10 CDCEHN CCCC(=O)Nc1ccc(O)c([C@H](C)NCC(N)=O)c1 ZINC000022142795 171355584 /nfs/dbraw/zinc/35/55/84/171355584.db2.gz FQDBMXYEQDOKEW-VIFPVBQESA-N 0 3 279.340 1.267 10 10 CDCEHN COc1ccc(Br)c([C@@H]([NH3+])CO)c1[O-] ZINC000072199341 176340449 /nfs/dbraw/zinc/34/04/49/176340449.db2.gz XNFKHANEKWUMPE-LURJTMIESA-N 0 3 262.103 1.155 10 10 CDCEHN CCC[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C ZINC000159821677 261194807 /nfs/dbraw/zinc/19/48/07/261194807.db2.gz QSHASTJSESXCID-GFCCVEGCSA-N 0 3 280.368 1.487 10 10 CDCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296950323 263198786 /nfs/dbraw/zinc/19/87/86/263198786.db2.gz QTAXDVPZOMBEAE-OLZOCXBDSA-N 0 3 289.379 1.773 10 10 CDCEHN O[C@H](CNCc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000527762366 281180005 /nfs/dbraw/zinc/18/00/05/281180005.db2.gz ZOGRXHHJNNPUGE-UKRRQHHQSA-N 0 3 263.337 1.251 10 10 CDCEHN CC[C@@H](CO)N1CCN(Cc2c(O)cccc2OC)CC1 ZINC000769503478 575353550 /nfs/dbraw/zinc/35/35/50/575353550.db2.gz ZPCHSVOTJRVCEU-ZDUSSCGKSA-N 0 3 294.395 1.289 10 10 CDCEHN CCN(C)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cc1 ZINC000773748735 575837428 /nfs/dbraw/zinc/83/74/28/575837428.db2.gz RGBTZEOEDCPHDV-OAHLLOKOSA-N 0 3 291.439 1.641 10 10 CDCEHN C[C@@H]1C[C@@H](N[C@H]2CNOC2)c2c1c(F)ccc2O ZINC000925870629 617927342 /nfs/dbraw/zinc/92/73/42/617927342.db2.gz ZEFBLQYKTCBNAU-KHQFGBGNSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@@H]1C[C@@H]([NH2+][C@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925870629 617927353 /nfs/dbraw/zinc/92/73/53/617927353.db2.gz ZEFBLQYKTCBNAU-KHQFGBGNSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000835045585 896362513 /nfs/dbraw/zinc/36/25/13/896362513.db2.gz WPYKFXOJERDLCO-FMFIFOJESA-N 0 3 275.396 1.832 10 10 CDCEHN C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000404150528 897086290 /nfs/dbraw/zinc/08/62/90/897086290.db2.gz NCTBCYAXEUKWES-BXUZGUMPSA-N 0 3 251.326 1.584 10 10 CDCEHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H](O)C(F)F)CC2 ZINC000716769373 910683828 /nfs/dbraw/zinc/68/38/28/910683828.db2.gz KLXZZPQIQHBAQQ-GXSJLCMTSA-N 0 3 257.280 1.985 10 10 CDCEHN CO[C@@H]1COC[C@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000842749616 937076500 /nfs/dbraw/zinc/07/65/00/937076500.db2.gz DODNZLIZXUGDDC-KSLSASGISA-N 0 3 276.380 1.769 10 10 CDCEHN CN(CCn1nc2ccccn2c1=O)Cc1ccccc1O ZINC000109773164 927522559 /nfs/dbraw/zinc/52/25/59/927522559.db2.gz HFEHRVFCCHDVJC-UHFFFAOYSA-N 0 3 298.346 1.334 10 10 CDCEHN Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)c(O)c1O ZINC000780938905 937207345 /nfs/dbraw/zinc/20/73/45/937207345.db2.gz KDMHFZOVGJWVSO-ZDUSSCGKSA-N 0 3 290.363 1.572 10 10 CDCEHN COc1cc(Cl)cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1O ZINC000862546924 929423400 /nfs/dbraw/zinc/42/34/00/929423400.db2.gz VAKNQTJNPXZLMV-MWLCHTKSSA-N 0 3 297.738 1.659 10 10 CDCEHN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccccc1[O-] ZINC000090023155 930185893 /nfs/dbraw/zinc/18/58/93/930185893.db2.gz DJCQBKHYGXHCHC-MWLCHTKSSA-N 0 3 262.309 1.190 10 10 CDCEHN CCOc1ccc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c([O-])c1 ZINC000825130213 931491650 /nfs/dbraw/zinc/49/16/50/931491650.db2.gz PPZNTVFIIZTPIL-DOMZBBRYSA-N 0 3 295.379 1.763 10 10 CDCEHN CCOc1ccc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c([O-])c1 ZINC000825130213 931491651 /nfs/dbraw/zinc/49/16/51/931491651.db2.gz PPZNTVFIIZTPIL-DOMZBBRYSA-N 0 3 295.379 1.763 10 10 CDCEHN COC[C@H]1C[C@@H](O)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000846052081 931965508 /nfs/dbraw/zinc/96/55/08/931965508.db2.gz AIJQRYRHJGMNDL-OSNZYPHYSA-N 0 3 290.407 1.847 10 10 CDCEHN CCOC(=O)C1(O)CCN(Cc2ccccc2O)CC1 ZINC000271361054 364982657 /nfs/dbraw/zinc/98/26/57/364982657.db2.gz NGXVCCYWYPRAAB-UHFFFAOYSA-N 0 3 279.336 1.282 10 10 CDCEHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1[O-] ZINC000362235914 391716541 /nfs/dbraw/zinc/71/65/41/391716541.db2.gz LNPNNQRBULQQGP-BNOWGMLFSA-N 0 3 274.364 1.800 10 10 CDCEHN Cc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000362235914 391716544 /nfs/dbraw/zinc/71/65/44/391716544.db2.gz LNPNNQRBULQQGP-BNOWGMLFSA-N 0 3 274.364 1.800 10 10 CDCEHN [O-]c1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000163137255 392941762 /nfs/dbraw/zinc/94/17/62/392941762.db2.gz FQVROXFUDDEIDY-ZFWWWQNUSA-N 0 3 263.337 1.820 10 10 CDCEHN Cc1[nH]cnc1CC(=O)NCc1ccc(N(C)C)cc1C ZINC001585786018 1172913301 /nfs/dbraw/zinc/91/33/01/1172913301.db2.gz AKOKLNUOFBFPIO-UHFFFAOYSA-N 0 3 286.379 1.951 10 10 CDCEHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000126480677 260353365 /nfs/dbraw/zinc/35/33/65/260353365.db2.gz KRKFVWAVPJLNSY-WDEREUQCSA-N 0 3 276.336 1.407 10 10 CDCEHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000126480677 260353366 /nfs/dbraw/zinc/35/33/66/260353366.db2.gz KRKFVWAVPJLNSY-WDEREUQCSA-N 0 3 276.336 1.407 10 10 CDCEHN CCOc1ccc(O)c(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000128196952 521146228 /nfs/dbraw/zinc/14/62/28/521146228.db2.gz VMXXFHKBHHWKNS-OAHLLOKOSA-N 0 3 294.395 1.553 10 10 CDCEHN C[C@H]1C[C@H](N[C@@H]2CNOC2)c2c1c(F)ccc2O ZINC000925862876 617904646 /nfs/dbraw/zinc/90/46/46/617904646.db2.gz ZEFBLQYKTCBNAU-XKSSXDPKSA-N 0 3 252.289 1.573 10 10 CDCEHN C[C@H]1C[C@H]([NH2+][C@@H]2CNOC2)c2c1c(F)ccc2[O-] ZINC000925862876 617904647 /nfs/dbraw/zinc/90/46/47/617904647.db2.gz ZEFBLQYKTCBNAU-XKSSXDPKSA-N 0 3 252.289 1.573 10 10 CDCEHN Cc1cc([O-])c(C[NH2+]C[C@H]2CNCCO2)c(Cl)c1 ZINC000841101371 618683099 /nfs/dbraw/zinc/68/30/99/618683099.db2.gz VIKDWENITIRYGP-SNVBAGLBSA-N 0 3 270.760 1.432 10 10 CDCEHN CNC(=O)C1(NCc2ccc3c(c2)CCO3)CCOCC1 ZINC000895883781 619883675 /nfs/dbraw/zinc/88/36/75/619883675.db2.gz HXORGRBJMOIDRP-UHFFFAOYSA-N 0 3 290.363 1.006 10 10 CDCEHN Cc1[nH]cnc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001624955147 1165876516 /nfs/dbraw/zinc/87/65/16/1165876516.db2.gz SMLVGMFILHVGBT-SECBINFHSA-N 0 3 289.335 1.419 10 10 CDCEHN