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]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000036793877 1165753437 /nfs/dbraw/zinc/75/34/37/1165753437.db2.gz XNCMOFBROYYINF-CYBMUJFWSA-N 1 0 291.395 1.090 10 10 CDCERO CN(C)c1ccc(/C=C/C[NH2+]CCS(C)(=O)=O)cc1 ZINC000835037259 936715083 /nfs/dbraw/zinc/71/50/83/936715083.db2.gz PHVOGMIGTBXTCD-SNAWJCMRSA-N 1 0 282.409 1.400 10 10 CDCERO C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC001146890729 932343066 /nfs/dbraw/zinc/34/30/66/932343066.db2.gz NAEIKAPCXQKSQQ-JTQLQIEISA-N 1 0 266.341 1.097 10 10 CDCERO CCO[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1C[NH3+] ZINC000405340689 940982808 /nfs/dbraw/zinc/98/28/08/940982808.db2.gz MOLFALMRKUEWNA-BXUZGUMPSA-N 1 0 284.787 1.841 10 10 CDCERO OCCCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC001323748660 960950617 /nfs/dbraw/zinc/95/06/17/960950617.db2.gz PSJKOXYFTXMPKO-UHFFFAOYSA-N 1 0 259.733 1.534 10 10 CDCERO C[C@@H]([NH2+]CC1=NOCC1)c1ccc(N2CCOCC2)cc1 ZINC001459869764 969454535 /nfs/dbraw/zinc/45/45/35/969454535.db2.gz WTSNVNPIYPFCGH-CYBMUJFWSA-N 1 0 289.379 1.950 10 10 CDCERO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001465565990 969883058 /nfs/dbraw/zinc/88/30/58/969883058.db2.gz HGBVJUJJDLXUNJ-CYBMUJFWSA-N 1 0 292.379 1.583 10 10 CDCERO O=C(NCc1c(O)cccc1O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001472064073 970558695 /nfs/dbraw/zinc/55/86/95/970558695.db2.gz VOOYHXSIWWBYSH-DGCLKSJQSA-N 1 0 290.363 1.731 10 10 CDCERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000271793196 364999515 /nfs/dbraw/zinc/99/95/15/364999515.db2.gz GZMXPFWOULKKFX-LLVKDONJSA-N 1 0 283.759 1.597 10 10 CDCERO COc1cc(O)c(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1OC ZINC000375285696 370803124 /nfs/dbraw/zinc/80/31/24/370803124.db2.gz FFNYXVXFGYATSV-AWEZNQCLSA-N 1 0 279.336 1.366 10 10 CDCERO O=C1N=C(N2CC[NH2+]CC2)S/C1=C/c1ccccc1O ZINC000020413956 171182890 /nfs/dbraw/zinc/18/28/90/171182890.db2.gz HRIKONFIRGJEKS-FMIVXFBMSA-N 1 0 289.360 1.268 10 10 CDCERO Cc1ccc(O)c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000071408222 176156758 /nfs/dbraw/zinc/15/67/58/176156758.db2.gz LAXXOYDHUPPTEL-LLVKDONJSA-N 1 0 269.366 1.225 10 10 CDCERO CC[C@H](C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH3+] ZINC000076678744 177056772 /nfs/dbraw/zinc/05/67/72/177056772.db2.gz BMAJBHDFUSDLBE-LBPRGKRZSA-N 1 0 263.385 1.838 10 10 CDCERO CN(C)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1F ZINC000294985031 276802409 /nfs/dbraw/zinc/80/24/09/276802409.db2.gz GXYZIVBBOTVCFC-LBPRGKRZSA-N 1 0 265.332 1.260 10 10 CDCERO C[NH2+]Cc1cc(F)c(N(CCO)C2CC2)c(F)c1 ZINC000062713253 522110192 /nfs/dbraw/zinc/11/01/92/522110192.db2.gz MUMBZAYRNACITM-UHFFFAOYSA-N 1 0 256.296 1.645 10 10 CDCERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(O)cc1O ZINC000049195487 519793758 /nfs/dbraw/zinc/79/37/58/519793758.db2.gz MZGBJPQWHOOZBL-CYBMUJFWSA-N 1 0 252.358 1.774 10 10 CDCERO C[NH2+]Cc1ccc(OC)c(Cn2ccc(=O)cc2)c1 ZINC000061627850 522119911 /nfs/dbraw/zinc/11/99/11/522119911.db2.gz OWCWXMVUGCXQBV-UHFFFAOYSA-N 1 0 258.321 1.625 10 10 CDCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000084059445 525365024 /nfs/dbraw/zinc/36/50/24/525365024.db2.gz KPIFAUIFQKEJAT-NWDGAFQWSA-N 1 0 262.353 1.972 10 10 CDCERO NC(=O)CC1CCN(c2ccc(C[NH3+])cc2Cl)CC1 ZINC000062793069 527255004 /nfs/dbraw/zinc/25/50/04/527255004.db2.gz AUPOSHRSQVUWRB-UHFFFAOYSA-N 1 0 281.787 1.891 10 10 CDCERO CC[C@@H]1C[NH2+]CCN1c1ccc(OC)cc1OC ZINC000083383260 535825020 /nfs/dbraw/zinc/82/50/20/535825020.db2.gz KFOSFDDRUXXTOV-LLVKDONJSA-N 1 0 250.342 1.892 10 10 CDCERO CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(O)c1 ZINC000768441368 576283206 /nfs/dbraw/zinc/28/32/06/576283206.db2.gz GIDOHKIQXMNEDM-DGCLKSJQSA-N 1 0 292.379 1.877 10 10 CDCERO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000756106721 576977426 /nfs/dbraw/zinc/97/74/26/576977426.db2.gz MKKJNZXDIXOBBS-RISCZKNCSA-N 1 0 265.376 1.931 10 10 CDCERO CC[C@@H](C[NH2+]Cc1ccc(C)cc1O)C(=O)OC ZINC000895141949 619347001 /nfs/dbraw/zinc/34/70/01/619347001.db2.gz XSYYCLXIXWKOFH-NSHDSACASA-N 1 0 251.326 1.989 10 10 CDCERO C[C@@H]1[C@H](C(=O)NCc2c(O)cccc2F)CC[N@@H+]1C ZINC000900668879 623348325 /nfs/dbraw/zinc/34/83/25/623348325.db2.gz BWJHWNLMMGOWMU-NXEZZACHSA-N 1 0 266.316 1.488 10 10 CDCERO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000905741116 626955754 /nfs/dbraw/zinc/95/57/54/626955754.db2.gz CDICOTDQMXARLH-YGRLFVJLSA-N 1 0 279.336 1.429 10 10 CDCERO CCO[C@H](CNC(=O)NCc1ccccc1O)C[NH+](C)C ZINC000915524772 631757917 /nfs/dbraw/zinc/75/79/17/631757917.db2.gz JFHZPXGQQJEAEA-CYBMUJFWSA-N 1 0 295.383 1.158 10 10 CDCERO C[NH2+]CCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863544135 679482562 /nfs/dbraw/zinc/48/25/62/679482562.db2.gz MDBBBCUKBINTKT-JTQLQIEISA-N 1 0 283.328 1.187 10 10 CDCERO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1O ZINC000831202555 677814757 /nfs/dbraw/zinc/81/47/57/677814757.db2.gz INHDEOYPCBRVBV-VHSXEESVSA-N 1 0 251.330 1.317 10 10 CDCERO COc1cccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000861685180 677879262 /nfs/dbraw/zinc/87/92/62/677879262.db2.gz CZFKVEFQFJVENV-PWSUYJOCSA-N 1 0 293.367 1.341 10 10 CDCERO CNC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414531 677889036 /nfs/dbraw/zinc/88/90/36/677889036.db2.gz HFHPGOSJSWFHAI-JTQLQIEISA-N 1 0 282.771 1.922 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c(O)c1 ZINC000090026589 678073919 /nfs/dbraw/zinc/07/39/19/678073919.db2.gz FZYACEFJGMJLIA-PWSUYJOCSA-N 1 0 276.336 1.499 10 10 CDCERO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775745581 678100502 /nfs/dbraw/zinc/10/05/02/678100502.db2.gz YBUMHESSEXQUPK-SECBINFHSA-N 1 0 287.722 1.427 10 10 CDCERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000252804937 678111146 /nfs/dbraw/zinc/11/11/46/678111146.db2.gz DVUMCWAOLDZKEK-YPMHNXCESA-N 1 0 282.359 1.903 10 10 CDCERO CC[S@@](=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000134734344 678126297 /nfs/dbraw/zinc/12/62/97/678126297.db2.gz ZIYOGKBCTFXKCL-KRWDZBQOSA-N 1 0 257.355 1.259 10 10 CDCERO C[C@@H](CC(N)=O)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041450 678187007 /nfs/dbraw/zinc/18/70/07/678187007.db2.gz CIHTVXRQFMAUFL-ITKZLYELSA-N 1 0 261.369 1.619 10 10 CDCERO CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1ccccc1O ZINC000702536027 678195140 /nfs/dbraw/zinc/19/51/40/678195140.db2.gz FPAFVWMYAUPKFB-OCCSQVGLSA-N 1 0 253.342 1.830 10 10 CDCERO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccccc1O ZINC000927128715 677724669 /nfs/dbraw/zinc/72/46/69/677724669.db2.gz DQFNTWMDCYCNOF-QMTHXVAHSA-N 1 0 261.325 1.510 10 10 CDCERO CN(C)c1ccc(/C=C/C[NH2+]CCCS(C)(=O)=O)cc1 ZINC000835036871 677803845 /nfs/dbraw/zinc/80/38/45/677803845.db2.gz GELFHLCHNXDDQC-GQCTYLIASA-N 1 0 296.436 1.790 10 10 CDCERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000159503347 678051319 /nfs/dbraw/zinc/05/13/19/678051319.db2.gz IYQDORGUVHVQOY-JSGCOSHPSA-N 1 0 275.396 1.838 10 10 CDCERO C[C@@H](C[NH3+])N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000843051771 678159372 /nfs/dbraw/zinc/15/93/72/678159372.db2.gz LNILWQGOAJTMBM-ZDUSSCGKSA-N 1 0 263.385 1.302 10 10 CDCERO CCOc1cccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000245546394 678175301 /nfs/dbraw/zinc/17/53/01/678175301.db2.gz VLEPDJPISHISFG-DGCLKSJQSA-N 1 0 292.379 1.877 10 10 CDCERO CCc1cccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000848913569 678237488 /nfs/dbraw/zinc/23/74/88/678237488.db2.gz AQFNBRLIOXCEBV-HOTGVXAUSA-N 1 0 290.407 1.860 10 10 CDCERO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N(C)C)cc1 ZINC000861621192 678240042 /nfs/dbraw/zinc/24/00/42/678240042.db2.gz YXZACAUJXDBGSL-SLEUVZQESA-N 1 0 290.411 1.863 10 10 CDCERO CN(C)c1ccc(C[NH2+]C2(CC(N)=O)CCC2)cc1F ZINC000789554316 678311341 /nfs/dbraw/zinc/31/13/41/678311341.db2.gz OBDGUEXWXNZRLJ-UHFFFAOYSA-N 1 0 279.359 1.779 10 10 CDCERO CCOc1ccc(O)c(C[NH2+]CC[C@@H](COC)OC)c1 ZINC000850345055 678420093 /nfs/dbraw/zinc/42/00/93/678420093.db2.gz HREMJFOHGLFDKS-AWEZNQCLSA-N 1 0 283.368 1.932 10 10 CDCERO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)NC1CC1 ZINC000848991306 678445935 /nfs/dbraw/zinc/44/59/35/678445935.db2.gz VSIRYTDVODLKKD-UHFFFAOYSA-N 1 0 274.368 1.300 10 10 CDCERO CN(C)c1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089746609 678551557 /nfs/dbraw/zinc/55/15/57/678551557.db2.gz PUJIWHMZXJWQHZ-CYBMUJFWSA-N 1 0 261.369 1.368 10 10 CDCERO COc1cccc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059053 678552763 /nfs/dbraw/zinc/55/27/63/678552763.db2.gz KVLNMUCVNULAPG-ZYHUDNBSSA-N 1 0 250.342 1.488 10 10 CDCERO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1F ZINC000166457982 678566477 /nfs/dbraw/zinc/56/64/77/678566477.db2.gz HXMHNPTVXWLGLO-RYUDHWBXSA-N 1 0 279.359 1.635 10 10 CDCERO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000846171283 678570061 /nfs/dbraw/zinc/57/00/61/678570061.db2.gz FOTSJRLDOVIILY-PKFCDNJMSA-N 1 0 251.326 1.965 10 10 CDCERO Cn1cnc(CCC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000842737994 678590684 /nfs/dbraw/zinc/59/06/84/678590684.db2.gz XDYSZDDLOKLQOJ-UHFFFAOYSA-N 1 0 280.759 1.897 10 10 CDCERO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000817415038 678649675 /nfs/dbraw/zinc/64/96/75/678649675.db2.gz RYXYNAJKCFGOAC-KOLCDFICSA-N 1 0 265.309 1.466 10 10 CDCERO COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000862475217 678731294 /nfs/dbraw/zinc/73/12/94/678731294.db2.gz CYHBJPREWDXVIA-AWEZNQCLSA-N 1 0 299.754 1.810 10 10 CDCERO CCON(CC)C(=O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000858219982 678799689 /nfs/dbraw/zinc/79/96/89/678799689.db2.gz HDFPEPAHALRTDI-UHFFFAOYSA-N 1 0 280.368 1.899 10 10 CDCERO CN(C)c1ccc(/C=C\CN2CC[NH+](CCO)CC2)cc1 ZINC000103862420 678937383 /nfs/dbraw/zinc/93/73/83/678937383.db2.gz BLNJDOKGLUEBKJ-ARJAWSKDSA-N 1 0 289.423 1.376 10 10 CDCERO CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000711335048 678941389 /nfs/dbraw/zinc/94/13/89/678941389.db2.gz PXSPOYFDDCQLRU-CQSZACIVSA-N 1 0 275.396 1.614 10 10 CDCERO CN(C)c1ccc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)cc1 ZINC000872197447 678963187 /nfs/dbraw/zinc/96/31/87/678963187.db2.gz NRPPJNYUQFTZPF-DLBZAZTESA-N 1 0 292.423 1.754 10 10 CDCERO C[NH+]1CCC2(CC1)CN(C(=O)C1=CC(=O)CS1)CCO2 ZINC000844153950 678963658 /nfs/dbraw/zinc/96/36/58/678963658.db2.gz PPJURYBAFCUIDU-UHFFFAOYSA-N 1 0 296.392 1.391 10 10 CDCERO Cc1cc(Cl)cc(C[N@H+](C)CCOCC[NH3+])c1O ZINC000863649624 678974509 /nfs/dbraw/zinc/97/45/09/678974509.db2.gz BQNZCTCMQDKSPC-UHFFFAOYSA-N 1 0 272.776 1.761 10 10 CDCERO CCOc1ccc(N(C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000258984197 678983287 /nfs/dbraw/zinc/98/32/87/678983287.db2.gz UZCPGZVLCZWDHH-AWEZNQCLSA-N 1 0 250.342 1.510 10 10 CDCERO CCN(CC)c1ccc(CNC(=O)NCCC[NH3+])cc1 ZINC000841718823 678993761 /nfs/dbraw/zinc/99/37/61/678993761.db2.gz CDZWQCGJLOGMPD-UHFFFAOYSA-N 1 0 278.400 1.681 10 10 CDCERO Cc1cc(N(C)C)ccc1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000853247953 679019515 /nfs/dbraw/zinc/01/95/15/679019515.db2.gz HQSHXLRCANFHJQ-HUUCEWRRSA-N 1 0 265.376 1.932 10 10 CDCERO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C(=O)NC ZINC000846170012 679022655 /nfs/dbraw/zinc/02/26/55/679022655.db2.gz USCVRPTYPYRLFU-KOLCDFICSA-N 1 0 266.341 1.576 10 10 CDCERO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000868162874 679098998 /nfs/dbraw/zinc/09/89/98/679098998.db2.gz JQPCTIYLZFWHJD-BXUZGUMPSA-N 1 0 274.368 1.827 10 10 CDCERO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000850368077 679207260 /nfs/dbraw/zinc/20/72/60/679207260.db2.gz IEAQBPUBVXWHPP-DGCLKSJQSA-N 1 0 283.393 1.756 10 10 CDCERO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922975184 679365428 /nfs/dbraw/zinc/36/54/28/679365428.db2.gz QXIXNEZEGQMTOB-HNNXBMFYSA-N 1 0 287.363 1.568 10 10 CDCERO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1O ZINC000868168292 679369524 /nfs/dbraw/zinc/36/95/24/679369524.db2.gz LPALZFLFMQBDLJ-GMSGAONNSA-N 1 0 291.273 1.642 10 10 CDCERO CCON(C)C(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826140002 679462763 /nfs/dbraw/zinc/46/27/63/679462763.db2.gz UTLSJGLGWOPEQZ-UHFFFAOYSA-N 1 0 286.759 1.854 10 10 CDCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000839154278 679497171 /nfs/dbraw/zinc/49/71/71/679497171.db2.gz PKKBJUNFPAYDSI-KRWDZBQOSA-N 1 0 292.423 1.852 10 10 CDCERO COc1cccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848579135 679611483 /nfs/dbraw/zinc/61/14/83/679611483.db2.gz WMXGOUONYLJIMM-GFCCVEGCSA-N 1 0 292.335 1.474 10 10 CDCERO CCOc1ccc(O)c(C[NH2+]CCc2cn(C)cn2)c1 ZINC000839148428 679629398 /nfs/dbraw/zinc/62/93/98/679629398.db2.gz JIQKCLHYEWDFNE-UHFFFAOYSA-N 1 0 275.352 1.857 10 10 CDCERO O[C@H](C[NH2+]CCCSc1nccs1)C1CC1 ZINC000819064001 679640042 /nfs/dbraw/zinc/64/00/42/679640042.db2.gz RQDGHPXFZZOKIU-SNVBAGLBSA-N 1 0 258.412 1.986 10 10 CDCERO COc1ccc(N2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000084866145 1158652267 /nfs/dbraw/zinc/65/22/67/1158652267.db2.gz XWRRSEJOUPROOH-UHFFFAOYSA-N 1 0 282.359 1.727 10 10 CDCERO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1O ZINC000386308942 1161062774 /nfs/dbraw/zinc/06/27/74/1161062774.db2.gz SEHHBLRIWUCVRJ-KOLCDFICSA-N 1 0 281.327 1.937 10 10 CDCERO Nc1ccc(OCc2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000864642269 1164568286 /nfs/dbraw/zinc/56/82/86/1164568286.db2.gz SANIVOOZSPQTQC-GFCCVEGCSA-N 1 0 273.340 1.191 10 10 CDCERO C[C@H](CC[NH+](C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC001595753345 1174214955 /nfs/dbraw/zinc/21/49/55/1174214955.db2.gz YGQURNRTTROWRL-LLVKDONJSA-N 1 0 280.368 1.344 10 10 CDCERO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c(O)c1 ZINC000135215820 1175821944 /nfs/dbraw/zinc/82/19/44/1175821944.db2.gz UYKMURRTGMSKHS-CMPLNLGQSA-N 1 0 251.326 1.915 10 10 CDCERO COCCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268677212 902943365 /nfs/dbraw/zinc/94/33/65/902943365.db2.gz SLESSUBMFDQFJS-ZDUSSCGKSA-N 1 0 294.395 1.634 10 10 CDCERO COc1ccc(O)c(CN2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000843124689 937115078 /nfs/dbraw/zinc/11/50/78/937115078.db2.gz FIFYNTMVZRDUBT-CQSZACIVSA-N 1 0 268.332 1.534 10 10 CDCERO COCCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265746827 944488125 /nfs/dbraw/zinc/48/81/25/944488125.db2.gz UDYFISZNHCQFLV-CYBMUJFWSA-N 1 0 294.395 1.634 10 10 CDCERO CCC[NH+]1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001440634353 964123191 /nfs/dbraw/zinc/12/31/91/964123191.db2.gz HGUYUJAUIQJOTR-UHFFFAOYSA-N 1 0 292.379 1.631 10 10 CDCERO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001350315085 966631431 /nfs/dbraw/zinc/63/14/31/966631431.db2.gz KIIJCWUMDVFDGC-LBPRGKRZSA-N 1 0 278.352 1.587 10 10 CDCERO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001569545928 1169917769 /nfs/dbraw/zinc/91/77/69/1169917769.db2.gz ZICRCOQVZLOYLF-LBPRGKRZSA-N 1 0 278.352 1.193 10 10 CDCERO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)C(F)F ZINC000294992847 199288844 /nfs/dbraw/zinc/28/88/44/199288844.db2.gz HSGQUSDIJOKQOS-ZYHUDNBSSA-N 1 0 275.295 1.895 10 10 CDCERO COCC[N@@H+]1CCN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180100031 357243567 /nfs/dbraw/zinc/24/35/67/357243567.db2.gz OZDOYLRZCVGBOV-LBPRGKRZSA-N 1 0 282.359 1.684 10 10 CDCERO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=N ZINC000575409264 364758023 /nfs/dbraw/zinc/75/80/23/364758023.db2.gz RKWYAVLRARRMAW-QMMMGPOBSA-O 1 0 274.366 1.512 10 10 CDCERO c1cc(CN[C@@H]2CC[NH2+]C23CCC3)cc2c1OCC2 ZINC000530176070 368147075 /nfs/dbraw/zinc/14/70/75/368147075.db2.gz AYTXAOQBEBLCJV-OAHLLOKOSA-N 1 0 258.365 1.996 10 10 CDCERO COc1ccc([C@@H](C)[NH2+]C[C@H]2COCCO2)c(O)c1 ZINC000038060653 174071793 /nfs/dbraw/zinc/07/17/93/174071793.db2.gz AUOLSJINCWOEGE-PWSUYJOCSA-N 1 0 267.325 1.467 10 10 CDCERO Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000271858399 328198373 /nfs/dbraw/zinc/19/83/73/328198373.db2.gz JRYAHQKBQCUMBM-NSHDSACASA-N 1 0 268.744 1.674 10 10 CDCERO COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cccc(Cl)c1[O-] ZINC000180234478 329218764 /nfs/dbraw/zinc/21/87/64/329218764.db2.gz XIQSIJCCYVCQLY-ZYHUDNBSSA-N 1 0 299.754 1.808 10 10 CDCERO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1F ZINC000279450681 522179591 /nfs/dbraw/zinc/17/95/91/522179591.db2.gz QDWHLZPFKARZTK-MRXNPFEDSA-N 1 0 291.370 1.604 10 10 CDCERO CC[C@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000096478637 523508356 /nfs/dbraw/zinc/50/83/56/523508356.db2.gz MZHBLGAOIRGWMU-ZDUSSCGKSA-N 1 0 253.298 1.372 10 10 CDCERO COc1ccc(N2CC[NH+](C[C@@H](O)C(C)C)CC2)cc1F ZINC000292678963 524427142 /nfs/dbraw/zinc/42/71/42/524427142.db2.gz QYGZJSZWGXFAQZ-OAHLLOKOSA-N 1 0 296.386 1.973 10 10 CDCERO O=C1C[C@@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)CN1 ZINC000278988830 527025827 /nfs/dbraw/zinc/02/58/27/527025827.db2.gz AGFYTJAXKULETK-AWEZNQCLSA-N 1 0 280.755 1.758 10 10 CDCERO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(C)C1 ZINC000725846927 574443994 /nfs/dbraw/zinc/44/39/94/574443994.db2.gz YFPAZSRLOWYHSG-LLVKDONJSA-N 1 0 250.342 1.585 10 10 CDCERO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000765328680 576009208 /nfs/dbraw/zinc/00/92/08/576009208.db2.gz HAWWMEHTXYUVQG-HIFRSBDPSA-N 1 0 276.380 1.963 10 10 CDCERO CCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(O)c1 ZINC000768441363 576283142 /nfs/dbraw/zinc/28/31/42/576283142.db2.gz GIDOHKIQXMNEDM-AAEUAGOBSA-N 1 0 292.379 1.877 10 10 CDCERO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000754726604 576912495 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ZINC000840949856 682594997 /nfs/dbraw/zinc/59/49/97/682594997.db2.gz BDLLTMSEYAJNGD-NSHDSACASA-N 1 0 268.744 1.722 10 10 CDCERO COc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000040671952 683190391 /nfs/dbraw/zinc/19/03/91/683190391.db2.gz CMSGDCAQFVSAFO-GFCCVEGCSA-N 1 0 250.342 1.585 10 10 CDCERO Nc1ccc(CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000843514142 679735789 /nfs/dbraw/zinc/73/57/89/679735789.db2.gz SRZJFWLOQJYLOC-CQSZACIVSA-N 1 0 273.380 1.602 10 10 CDCERO C[C@@H](O)[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842226543 679745536 /nfs/dbraw/zinc/74/55/36/679745536.db2.gz VVYZUVJCLKBYFS-XWNLZXIHSA-N 1 0 264.369 1.097 10 10 CDCERO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C ZINC000844741779 679751420 /nfs/dbraw/zinc/75/14/20/679751420.db2.gz NWXOATNXEBSYCC-LXIYXOSZSA-N 1 0 265.378 1.714 10 10 CDCERO Cc1cc(O)c(CNC[C@@]2(O)CC[N@@H+](C)C2)c(Cl)c1 ZINC000840940053 679756180 /nfs/dbraw/zinc/75/61/80/679756180.db2.gz UVBJDKIWDQHYHL-AWEZNQCLSA-N 1 0 284.787 1.510 10 10 CDCERO COC(=O)[C@]1(OC)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000862475583 679773458 /nfs/dbraw/zinc/77/34/58/679773458.db2.gz PCECPMMICFNUDH-AWEZNQCLSA-N 1 0 299.754 1.810 10 10 CDCERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000828960008 681689852 /nfs/dbraw/zinc/68/98/52/681689852.db2.gz RKOVLFMLROBZCM-NHYWBVRUSA-N 1 0 264.369 1.743 10 10 CDCERO Cc1cc(Cl)cc(C[NH+](CCO)CCO)c1O ZINC000862430233 681807130 /nfs/dbraw/zinc/80/71/30/681807130.db2.gz RFTAMOYQALTIMY-UHFFFAOYSA-N 1 0 259.733 1.141 10 10 CDCERO CCOc1ccc(CN2CC[NH2+]C[C@@](C)(F)C2)c(O)c1 ZINC000843125051 681864232 /nfs/dbraw/zinc/86/42/32/681864232.db2.gz MMLXVPSKKJASPS-OAHLLOKOSA-N 1 0 282.359 1.924 10 10 CDCERO COc1ccc(N2CCN(C(=O)CC3([NH3+])CC3)CC2)cc1 ZINC000398162360 681865800 /nfs/dbraw/zinc/86/58/00/681865800.db2.gz IOVHGJSBULNOAR-UHFFFAOYSA-N 1 0 289.379 1.225 10 10 CDCERO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388332 681982172 /nfs/dbraw/zinc/98/21/72/681982172.db2.gz LGDVCXBYNUCVOJ-ZIAGYGMSSA-N 1 0 263.337 1.794 10 10 CDCERO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C2)cc1 ZINC000852844320 682026829 /nfs/dbraw/zinc/02/68/29/682026829.db2.gz SRMJPVCZECHKNR-IUODEOHRSA-N 1 0 291.395 1.373 10 10 CDCERO CNC(=O)C1C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839144385 682060286 /nfs/dbraw/zinc/06/02/86/682060286.db2.gz TVAHKTNSEDFUOG-SNAWJCMRSA-N 1 0 273.380 1.444 10 10 CDCERO CCN(CC)c1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1 ZINC000827480857 682276836 /nfs/dbraw/zinc/27/68/36/682276836.db2.gz JFVJEFFDFSIDIS-UHFFFAOYSA-N 1 0 292.423 1.710 10 10 CDCERO CNC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835026243 682388773 /nfs/dbraw/zinc/38/87/73/682388773.db2.gz SSYWKQHTBXLFDH-NBUZRDOWSA-N 1 0 287.407 1.976 10 10 CDCERO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1 ZINC000092588260 682467760 /nfs/dbraw/zinc/46/77/60/682467760.db2.gz QFJYTGKOBDLFJX-HNNXBMFYSA-N 1 0 275.396 1.983 10 10 CDCERO Cc1cc(O)c(C[NH2+]CC[C@]2(O)CCOC2)cc1C ZINC000846048797 682554020 /nfs/dbraw/zinc/55/40/20/682554020.db2.gz JOIUGJWWBIPVFL-HNNXBMFYSA-N 1 0 265.353 1.640 10 10 CDCERO Nc1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1 ZINC000852790263 682573024 /nfs/dbraw/zinc/57/30/24/682573024.db2.gz NFFPCHMENYYSJX-VIFPVBQESA-N 1 0 271.324 1.321 10 10 CDCERO CCOC(=O)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000859231911 682728053 /nfs/dbraw/zinc/72/80/53/682728053.db2.gz DKLKGRHICNKTMK-GHMZBOCLSA-N 1 0 297.351 1.366 10 10 CDCERO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000824559216 682736376 /nfs/dbraw/zinc/73/63/76/682736376.db2.gz LDRXNRHLGKMRCZ-IAQYHMDHSA-N 1 0 283.368 1.839 10 10 CDCERO COc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000809687387 682841633 /nfs/dbraw/zinc/84/16/33/682841633.db2.gz XXYAJRWNXTXBLZ-INIZCTEOSA-N 1 0 293.363 1.782 10 10 CDCERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090023660 683202339 /nfs/dbraw/zinc/20/23/39/683202339.db2.gz WSRKYCMTOAZWEA-RISCZKNCSA-N 1 0 289.379 1.551 10 10 CDCERO [NH3+]CCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841928830 683645954 /nfs/dbraw/zinc/64/59/54/683645954.db2.gz CFVVDNZDHQCBOV-UHFFFAOYSA-N 1 0 292.166 1.847 10 10 CDCERO C[C@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)ccc1O ZINC000825338617 683677524 /nfs/dbraw/zinc/67/75/24/683677524.db2.gz RCHWAEXYEYSGHE-NSHDSACASA-N 1 0 284.787 1.544 10 10 CDCERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851640468 683717028 /nfs/dbraw/zinc/71/70/28/683717028.db2.gz VTRPFGOEACXBJP-QWHCGFSZSA-N 1 0 291.395 1.246 10 10 CDCERO COCC[NH2+]C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000844900919 683871785 /nfs/dbraw/zinc/87/17/85/683871785.db2.gz BGQQAAKULXSCTP-UHFFFAOYSA-N 1 0 291.439 1.953 10 10 CDCERO C[NH2+][C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843044800 683902275 /nfs/dbraw/zinc/90/22/75/683902275.db2.gz JWRSKXLNOSYHNB-OAHLLOKOSA-N 1 0 275.396 1.317 10 10 CDCERO c1cc(N2CCSCC2)ccc1CNC1=[NH+]CCCN1 ZINC000303268676 683911825 /nfs/dbraw/zinc/91/18/25/683911825.db2.gz ZDTMSAZFAKDAEU-UHFFFAOYSA-N 1 0 290.436 1.679 10 10 CDCERO CC1(C)CN(CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862025991 683922746 /nfs/dbraw/zinc/92/27/46/683922746.db2.gz DVHVROBFTMYJJH-UHFFFAOYSA-N 1 0 299.374 1.898 10 10 CDCERO [NH3+][C@@H]1CN(Cc2ccccc2O)C[C@H]1C(F)(F)F ZINC000720891741 683939385 /nfs/dbraw/zinc/93/93/85/683939385.db2.gz KYARFLJDAMKUSH-NXEZZACHSA-N 1 0 260.259 1.714 10 10 CDCERO COc1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)cc1C ZINC000850357972 684160358 /nfs/dbraw/zinc/16/03/58/684160358.db2.gz DMGAQBLJINXCNT-MRXNPFEDSA-N 1 0 295.379 1.261 10 10 CDCERO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000863297166 684206708 /nfs/dbraw/zinc/20/67/08/684206708.db2.gz RBGRQXHSRNMNGM-INIZCTEOSA-N 1 0 293.363 1.773 10 10 CDCERO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H](C)O1 ZINC000384851700 684294540 /nfs/dbraw/zinc/29/45/40/684294540.db2.gz FWDLLIVRAPTMHF-WCABBAIRSA-N 1 0 265.309 1.776 10 10 CDCERO C[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001623332903 1165765745 /nfs/dbraw/zinc/76/57/45/1165765745.db2.gz WVTKNEHUAUNJTK-UHFFFAOYSA-N 1 0 289.339 1.673 10 10 CDCERO c1[nH]nc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000124507086 1175333624 /nfs/dbraw/zinc/33/36/24/1175333624.db2.gz NRPBGKHAZOGACK-CQSZACIVSA-N 1 0 269.348 1.992 10 10 CDCERO CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](C)C1 ZINC001566161591 1168247386 /nfs/dbraw/zinc/24/73/86/1168247386.db2.gz KTUBQYXRNHTUKZ-LBPRGKRZSA-N 1 0 278.352 1.193 10 10 CDCERO CCN(C(=O)c1cccc(O)c1O)[C@@H]1CC[N@H+](C)C1 ZINC000693449243 896121773 /nfs/dbraw/zinc/12/17/73/896121773.db2.gz ZZFDOOREFAKJHP-SNVBAGLBSA-N 1 0 264.325 1.264 10 10 CDCERO C[C@@H]([NH2+]CCCOC(=O)NC(N)=O)c1ccccc1O ZINC001648053568 1169094282 /nfs/dbraw/zinc/09/42/82/1169094282.db2.gz BTQQDPVUJKQJPD-SECBINFHSA-N 1 0 281.312 1.238 10 10 CDCERO OCC1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827474610 936594297 /nfs/dbraw/zinc/59/42/97/936594297.db2.gz GIUITHYAYNBNPQ-UHFFFAOYSA-N 1 0 271.744 1.222 10 10 CDCERO COc1ccc(N2CC[C@H](NC(=O)CCCC[NH3+])C2)cc1 ZINC000852844181 927892099 /nfs/dbraw/zinc/89/20/99/927892099.db2.gz RNHZAEYFHDIGCD-ZDUSSCGKSA-N 1 0 291.395 1.519 10 10 CDCERO CC[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275467831 931811440 /nfs/dbraw/zinc/81/14/40/931811440.db2.gz PXFPDKAJEKGAPR-VIFPVBQESA-N 1 0 277.328 1.577 10 10 CDCERO CCO[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000405528587 940991428 /nfs/dbraw/zinc/99/14/28/940991428.db2.gz LUDFMMNNULCOSF-BXUZGUMPSA-N 1 0 268.332 1.327 10 10 CDCERO CN(C)c1cc(F)c(C[NH2+]CCCn2ccnn2)cc1F ZINC001261788381 946278854 /nfs/dbraw/zinc/27/88/54/946278854.db2.gz USXSQTGMDVRYPF-UHFFFAOYSA-N 1 0 295.337 1.802 10 10 CDCERO C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329827267 956129510 /nfs/dbraw/zinc/12/95/10/956129510.db2.gz XVINBZPYBGPAGN-ZDUSSCGKSA-N 1 0 295.402 1.390 10 10 CDCERO C[C@H]([NH2+]C[C@@H](O)C1(O)CCC1)c1ccc(N(C)C)cc1 ZINC001333361341 958280528 /nfs/dbraw/zinc/28/05/28/958280528.db2.gz QYLQGWNXAVSERI-SWLSCSKDSA-N 1 0 278.396 1.679 10 10 CDCERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3O)[C@H]2C1 ZINC001346667095 965201770 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1.501 10 10 CDCERO C[NH2+]C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000843351066 724432569 /nfs/dbraw/zinc/43/25/69/724432569.db2.gz CZMBFMYCNZBPMA-UHFFFAOYSA-N 1 0 280.343 1.918 10 10 CDCERO COc1cccc(O)c1C[NH2+]C[C@H]1CCCCN1CCO ZINC000824583201 723695868 /nfs/dbraw/zinc/69/58/68/723695868.db2.gz JITVINGLTRRLRQ-CYBMUJFWSA-N 1 0 294.395 1.337 10 10 CDCERO Cc1cccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000180128134 723736156 /nfs/dbraw/zinc/73/61/56/723736156.db2.gz YXORYTUVGAAFGN-OAHLLOKOSA-N 1 0 287.363 1.798 10 10 CDCERO CCO[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000844904138 723742890 /nfs/dbraw/zinc/74/28/90/723742890.db2.gz ZVQAIVKHDKRKPI-DGCLKSJQSA-N 1 0 268.332 1.327 10 10 CDCERO COC(=O)N(C)CC[N@H+](C)Cc1c(O)cccc1OC ZINC000827334404 723892298 /nfs/dbraw/zinc/89/22/98/723892298.db2.gz BZQGKNSGMKOLPN-UHFFFAOYSA-N 1 0 282.340 1.531 10 10 CDCERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000708734314 723892323 /nfs/dbraw/zinc/89/23/23/723892323.db2.gz HYPCBAMDKOBMJX-AWEZNQCLSA-N 1 0 274.364 1.944 10 10 CDCERO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000868162877 723926203 /nfs/dbraw/zinc/92/62/03/723926203.db2.gz JQPCTIYLZFWHJD-SMDDNHRTSA-N 1 0 274.368 1.827 10 10 CDCERO COc1cc(O)c(C[NH2+]CC[C@]2(O)CCOC2)cc1OC ZINC000846048706 723933354 /nfs/dbraw/zinc/93/33/54/723933354.db2.gz HTMMFIXFGBRTLM-HNNXBMFYSA-N 1 0 297.351 1.041 10 10 CDCERO COc1ccc(N(C)CCN(C)C(=O)CC[C@H](C)[NH3+])cc1 ZINC000846697126 724039583 /nfs/dbraw/zinc/03/95/83/724039583.db2.gz LFRTUNMXUURDFI-ZDUSSCGKSA-N 1 0 293.411 1.717 10 10 CDCERO CCN(CC)c1ccc(CNC(=O)NC/C=C/C[NH3+])cc1 ZINC000841718342 724043892 /nfs/dbraw/zinc/04/38/92/724043892.db2.gz RWFOTDFZRSGSLC-AATRIKPKSA-N 1 0 290.411 1.847 10 10 CDCERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077419650 724302914 /nfs/dbraw/zinc/30/29/14/724302914.db2.gz ACGJFKZJJDBSHS-UONOGXRCSA-N 1 0 278.396 1.630 10 10 CDCERO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000164340008 724357552 /nfs/dbraw/zinc/35/75/52/724357552.db2.gz GUACPGMSESAUSM-CYBMUJFWSA-N 1 0 298.408 1.133 10 10 CDCERO CO[C@](C)(CO)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000848561290 724363364 /nfs/dbraw/zinc/36/33/64/724363364.db2.gz WJMZQALVBVGEIY-AWEZNQCLSA-N 1 0 270.348 1.379 10 10 CDCERO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000862483903 724445779 /nfs/dbraw/zinc/44/57/79/724445779.db2.gz WXSOELBBYIQSCV-JLIMDTESSA-N 1 0 268.744 1.708 10 10 CDCERO C[C@H]([NH2+]CCCn1ccnn1)c1cc(F)ccc1O ZINC000126597765 725646092 /nfs/dbraw/zinc/64/60/92/725646092.db2.gz UKUAHSSPWBAMRX-JTQLQIEISA-N 1 0 264.304 1.864 10 10 CDCERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1C ZINC000245761951 724597638 /nfs/dbraw/zinc/59/76/38/724597638.db2.gz PXQWALZMUREIGK-RYUDHWBXSA-N 1 0 298.814 1.933 10 10 CDCERO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccccc1O ZINC000090026870 724721034 /nfs/dbraw/zinc/72/10/34/724721034.db2.gz OJBKGAIARZVLDE-RYUDHWBXSA-N 1 0 276.336 1.580 10 10 CDCERO O=C(NCCC1CC[NH2+]CC1)NCc1ccccc1O ZINC000846209862 724778985 /nfs/dbraw/zinc/77/89/85/724778985.db2.gz IHBQOJNOGWPPKP-UHFFFAOYSA-N 1 0 277.368 1.581 10 10 CDCERO Oc1ccc2ccncc2c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000800861756 724807577 /nfs/dbraw/zinc/80/75/77/724807577.db2.gz CZZDBIXBPDRHOW-BETUJISGSA-N 1 0 286.331 1.540 10 10 CDCERO Cc1cc(O)c(C[NH2+]CCc2nnnn2C)cc1Cl ZINC000825406545 725096076 /nfs/dbraw/zinc/09/60/76/725096076.db2.gz VXKUVNRNHDILHQ-UHFFFAOYSA-N 1 0 281.747 1.210 10 10 CDCERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C1=CC(=O)CS1 ZINC000854642127 723815352 /nfs/dbraw/zinc/81/53/52/723815352.db2.gz JHVCNWKLHWLFHX-RYUDHWBXSA-N 1 0 296.392 1.389 10 10 CDCERO Nc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000094441024 723993161 /nfs/dbraw/zinc/99/31/61/723993161.db2.gz VHBVTYJRQMXVRV-AWEZNQCLSA-N 1 0 274.368 1.971 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2ncn(C)n2)c1 ZINC000842904617 724049991 /nfs/dbraw/zinc/04/99/91/724049991.db2.gz UZFGZRHVDJTLAO-LLVKDONJSA-N 1 0 290.367 1.813 10 10 CDCERO CN1CC(C[N@H+](C)Cc2cc3c(cc2O)CCC3)C1 ZINC000853555791 724070109 /nfs/dbraw/zinc/07/01/09/724070109.db2.gz PPMHBFGKENVNHO-UHFFFAOYSA-N 1 0 260.381 1.874 10 10 CDCERO CC(C)[C@](C)(CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000398472686 724103659 /nfs/dbraw/zinc/10/36/59/724103659.db2.gz QXQLGTMXNHGLRO-AWEZNQCLSA-N 1 0 267.325 1.618 10 10 CDCERO CCOc1ccc(C[N@H+](C)CC2CN(C)C2)c(O)c1 ZINC000827126147 725062669 /nfs/dbraw/zinc/06/26/69/725062669.db2.gz WSMUGGBQFMTDAZ-UHFFFAOYSA-N 1 0 264.369 1.784 10 10 CDCERO O[C@H](CC[NH2+]Cc1ccc2c(c1)CCO2)C(F)F ZINC000716769431 725087225 /nfs/dbraw/zinc/08/72/25/725087225.db2.gz LZTBYAQHLJZMEG-LLVKDONJSA-N 1 0 257.280 1.727 10 10 CDCERO COc1ccc(N2CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C2)cc1 ZINC000852844387 725120496 /nfs/dbraw/zinc/12/04/96/725120496.db2.gz UECKGEXSKZFNSS-OLZOCXBDSA-N 1 0 291.395 1.518 10 10 CDCERO CN(C)c1ccc(CN(C)C(=O)NC/C=C\C[NH3+])cc1 ZINC000841996677 725149119 /nfs/dbraw/zinc/14/91/19/725149119.db2.gz NZWWMCLPGJVZQM-PLNGDYQASA-N 1 0 276.384 1.409 10 10 CDCERO C[N@@H+]1C[C@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000814172889 725157594 /nfs/dbraw/zinc/15/75/94/725157594.db2.gz CRSHPDOXOKLMOM-PWSUYJOCSA-N 1 0 276.336 1.257 10 10 CDCERO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)CS(C)(=O)=O ZINC000723877920 725174904 /nfs/dbraw/zinc/17/49/04/725174904.db2.gz AYZQMLKNEPRUFG-UHFFFAOYSA-N 1 0 297.420 1.782 10 10 CDCERO CN1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000723602358 725178698 /nfs/dbraw/zinc/17/86/98/725178698.db2.gz SSQDMXPNPRXHDU-LBPRGKRZSA-N 1 0 260.337 1.189 10 10 CDCERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841956206 725189060 /nfs/dbraw/zinc/18/90/60/725189060.db2.gz YNAGIWTYXFPEAU-BXUZGUMPSA-N 1 0 276.384 1.109 10 10 CDCERO Oc1cc2c(cc1CN1CCC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000843123682 725193327 /nfs/dbraw/zinc/19/33/27/725193327.db2.gz NJZQNJHMGLPBEM-INIZCTEOSA-N 1 0 290.363 1.696 10 10 CDCERO OC[C@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000312375816 725201524 /nfs/dbraw/zinc/20/15/24/725201524.db2.gz DCZRWDYUDACKQM-CMPLNLGQSA-N 1 0 279.336 1.762 10 10 CDCERO CCOc1cccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1O ZINC000850344616 725204666 /nfs/dbraw/zinc/20/46/66/725204666.db2.gz PIKAPPHOJTUXAB-UKRRQHHQSA-N 1 0 295.379 1.932 10 10 CDCERO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000846052140 725258389 /nfs/dbraw/zinc/25/83/89/725258389.db2.gz BEZRTTRRZUJTDG-CHWSQXEVSA-N 1 0 285.771 1.936 10 10 CDCERO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC2CC2)cc1 ZINC000842784242 725258568 /nfs/dbraw/zinc/25/85/68/725258568.db2.gz HTEHRZHLRXNUND-AWEZNQCLSA-N 1 0 297.424 1.082 10 10 CDCERO Nc1ccc(CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000843508207 725295008 /nfs/dbraw/zinc/29/50/08/725295008.db2.gz RFKYFZAWZZYBTB-QGZVFWFLSA-N 1 0 295.386 1.896 10 10 CDCERO Cc1ccc(O)c(C[NH2+]C[C@H]2COCCN2C)c1 ZINC000700141256 725336439 /nfs/dbraw/zinc/33/64/39/725336439.db2.gz HGUCJUXLNXQPJA-ZDUSSCGKSA-N 1 0 250.342 1.121 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+]CCCc2ncn(C)n2)c1 ZINC000842904618 725378370 /nfs/dbraw/zinc/37/83/70/725378370.db2.gz UZFGZRHVDJTLAO-NSHDSACASA-N 1 0 290.367 1.813 10 10 CDCERO CCON(C)C(=O)C[NH2+]Cc1cc(C)ccc1O ZINC000846062725 725405336 /nfs/dbraw/zinc/40/53/36/725405336.db2.gz KGNKBMKJHTYCRB-UHFFFAOYSA-N 1 0 252.314 1.200 10 10 CDCERO C[C@@H](O)CNc1cc(N2Cc3cccc(O)c3C2)ncn1 ZINC000866116683 725441051 /nfs/dbraw/zinc/44/10/51/725441051.db2.gz AWCGMHKLQRYNCH-SNVBAGLBSA-N 1 0 286.335 1.495 10 10 CDCERO COc1cccc(CNC(=[NH2+])NCCC2CC2)c1O ZINC000864457361 725520042 /nfs/dbraw/zinc/52/00/42/725520042.db2.gz RSJJOGDOZRVGMJ-UHFFFAOYSA-N 1 0 263.341 1.815 10 10 CDCERO CO[C@](C)(CO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000848560130 725627875 /nfs/dbraw/zinc/62/78/75/725627875.db2.gz KDRODPJPJNHQTD-JFDDCEBESA-N 1 0 278.396 1.753 10 10 CDCERO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000851654982 725922838 /nfs/dbraw/zinc/92/28/38/725922838.db2.gz LQMZDEUAUDJWSE-OAHLLOKOSA-N 1 0 292.427 1.925 10 10 CDCERO COc1cccc(CNC(=[NH2+])N2CCO[C@H](C)C2)c1O ZINC000849002629 725973827 /nfs/dbraw/zinc/97/38/27/725973827.db2.gz MVZJRLOKXNRLDA-SNVBAGLBSA-N 1 0 279.340 1.146 10 10 CDCERO CCON(CC)C(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858219463 725981664 /nfs/dbraw/zinc/98/16/64/725981664.db2.gz NNQNPXTXNRAVPS-UHFFFAOYSA-N 1 0 278.352 1.511 10 10 CDCERO O=C(NCc1ccccc1O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711378483 725991358 /nfs/dbraw/zinc/99/13/58/725991358.db2.gz LQIFDVIAUULUMT-HIFRSBDPSA-N 1 0 260.337 1.541 10 10 CDCERO CO[C@](C)(CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000702514572 726001476 /nfs/dbraw/zinc/00/14/76/726001476.db2.gz QDGSDJUCXLMYLE-LBPRGKRZSA-N 1 0 259.733 1.533 10 10 CDCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)COC ZINC001482906622 908480754 /nfs/dbraw/zinc/48/07/54/908480754.db2.gz DJBDUVIKAGXSOC-UHFFFAOYSA-N 1 0 294.395 1.588 10 10 CDCERO COc1ccc(O)c(C[NH2+][C@H]2CCCC23OCCO3)c1 ZINC000715600413 919913336 /nfs/dbraw/zinc/91/33/36/919913336.db2.gz XLRWZIJTSXLYFD-AWEZNQCLSA-N 1 0 279.336 1.786 10 10 CDCERO Cc1cccc(C[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)c1O ZINC000841891399 937020995 /nfs/dbraw/zinc/02/09/95/937020995.db2.gz KVZHPEVNAXCQLF-KBPBESRZSA-N 1 0 278.396 1.588 10 10 CDCERO C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccccc1O ZINC001560075026 960857696 /nfs/dbraw/zinc/85/76/96/960857696.db2.gz OTACYAMIVVSDGP-JTQLQIEISA-N 1 0 284.319 1.579 10 10 CDCERO CN(C)c1ccc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)cc1 ZINC001560231588 960891835 /nfs/dbraw/zinc/89/18/35/960891835.db2.gz WMBLSIHTOMOCNO-GJZGRUSLSA-N 1 0 278.396 1.175 10 10 CDCERO C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](C)[NH3+] ZINC001345104209 964576819 /nfs/dbraw/zinc/57/68/19/964576819.db2.gz LGLUWNYCKAKXNU-QWHCGFSZSA-N 1 0 294.418 1.403 10 10 CDCERO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001556852980 965112591 /nfs/dbraw/zinc/11/25/91/965112591.db2.gz QKYWKJJQFALHAH-GFCCVEGCSA-N 1 0 294.395 1.877 10 10 CDCERO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1CCCO1 ZINC001351340584 966917506 /nfs/dbraw/zinc/91/75/06/966917506.db2.gz FPCFJASXQCCMMZ-DLBZAZTESA-N 1 0 290.407 1.916 10 10 CDCERO Cn1ccnc1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077799 539085476 /nfs/dbraw/zinc/08/54/76/539085476.db2.gz IVPQOPTUXBNCKX-NSHDSACASA-N 1 0 278.356 1.382 10 10 CDCERO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccccc1O ZINC000179874823 357228866 /nfs/dbraw/zinc/22/88/66/357228866.db2.gz YILNYFRESKHEFO-NSHDSACASA-N 1 0 264.325 1.885 10 10 CDCERO C[C@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000277646479 371218319 /nfs/dbraw/zinc/21/83/19/371218319.db2.gz DIVDZHUXQMUANR-GXSJLCMTSA-N 1 0 265.309 1.636 10 10 CDCERO COC1(C[NH2+]Cc2ccc3c(c2)CCN3C)CCOCC1 ZINC000125766009 374965803 /nfs/dbraw/zinc/96/58/03/374965803.db2.gz FKWHZDUPTOKVHE-UHFFFAOYSA-N 1 0 290.407 1.964 10 10 CDCERO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CCc2ccccc21 ZINC000662367558 412931019 /nfs/dbraw/zinc/93/10/19/412931019.db2.gz KQFBUGRNHNXDFI-LBPRGKRZSA-N 1 0 282.347 1.690 10 10 CDCERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC000374153765 391151440 /nfs/dbraw/zinc/15/14/40/391151440.db2.gz MXJMORMNWGPXCG-XPKDYRNWSA-N 1 0 287.407 1.852 10 10 CDCERO CN(C)c1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1F ZINC000271334096 391293572 /nfs/dbraw/zinc/29/35/72/391293572.db2.gz NOJOMOYSTUUXDC-NSHDSACASA-N 1 0 280.347 1.134 10 10 CDCERO CC[C@H]1C[NH2+]CCN1c1ccc(OC)cc1OC ZINC000083383261 135017008 /nfs/dbraw/zinc/01/70/08/135017008.db2.gz KFOSFDDRUXXTOV-NSHDSACASA-N 1 0 250.342 1.892 10 10 CDCERO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020125251 171008470 /nfs/dbraw/zinc/00/84/70/171008470.db2.gz RBRVMNQANLBDJE-JTQLQIEISA-N 1 0 266.341 1.521 10 10 CDCERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2O)CN1 ZINC000378370337 329047708 /nfs/dbraw/zinc/04/77/08/329047708.db2.gz LALYVLJWAWDJHE-KGLIPLIRSA-N 1 0 274.364 1.883 10 10 CDCERO COC[C@@H](CC[NH2+]Cc1ccc(N(C)C)cc1)OC ZINC000694309271 1159435795 /nfs/dbraw/zinc/43/57/95/1159435795.db2.gz KPGXKMSWHZUZPL-OAHLLOKOSA-N 1 0 266.385 1.894 10 10 CDCERO CN(C)C[C@H]1CCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000061641783 521867545 /nfs/dbraw/zinc/86/75/45/521867545.db2.gz 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FTSLRHRJYUAICA-WFASDCNBSA-N 1 0 296.386 1.863 10 10 CDCERO COc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c1O ZINC000846141240 726359701 /nfs/dbraw/zinc/35/97/01/726359701.db2.gz GUBOXPXHRRUFGT-GHMZBOCLSA-N 1 0 276.340 1.732 10 10 CDCERO COc1ccc(N2CCC([NH2+]Cc3cnn[nH]3)CC2)cc1 ZINC000858198099 726387049 /nfs/dbraw/zinc/38/70/49/726387049.db2.gz PNFAXROEEDCESN-UHFFFAOYSA-N 1 0 287.367 1.572 10 10 CDCERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)c2c1c(F)ccc2O ZINC000850545733 726878413 /nfs/dbraw/zinc/87/84/13/726878413.db2.gz DQGWYMJIBSMBAM-YWVKMMECSA-N 1 0 278.327 1.948 10 10 CDCERO CCOc1ccc(O)c(C[NH2+]CC[C@@]2(O)CCOC2)c1 ZINC000846050116 726881805 /nfs/dbraw/zinc/88/18/05/726881805.db2.gz QJLZNYLCEVSMAR-OAHLLOKOSA-N 1 0 281.352 1.422 10 10 CDCERO COc1ccc(N(C)C[C@@H]2C[NH2+]CCO2)cc1F ZINC000258863651 726886381 /nfs/dbraw/zinc/88/63/81/726886381.db2.gz HHBHESFCZNDPIC-NSHDSACASA-N 1 0 254.305 1.259 10 10 CDCERO C[NH+](C)CCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871202854 726890842 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C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000923668469 727029867 /nfs/dbraw/zinc/02/98/67/727029867.db2.gz GOYCVTSMSDDXME-QWRGUYRKSA-N 1 0 284.381 1.125 10 10 CDCERO COc1cccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1O ZINC000846151347 727070820 /nfs/dbraw/zinc/07/08/20/727070820.db2.gz WQYWGTBJNYAVJK-MLGOLLRUSA-N 1 0 295.379 1.841 10 10 CDCERO CN(C)c1ccc(CN[C@H](C[NH3+])C(F)(F)F)cc1F ZINC000848715474 727140309 /nfs/dbraw/zinc/14/03/09/727140309.db2.gz BNISMVXEIFBQDX-LLVKDONJSA-N 1 0 279.281 1.871 10 10 CDCERO Cc1cc(Cl)cc(C[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000862550686 727143580 /nfs/dbraw/zinc/14/35/80/727143580.db2.gz GTKJYYFHOOUOHM-ZDUSSCGKSA-N 1 0 284.787 1.510 10 10 CDCERO CN(C)c1ccc(/C=C/C[NH2+]CCc2nnc[nH]2)cc1 ZINC000835045531 727217727 /nfs/dbraw/zinc/21/77/27/727217727.db2.gz VZFIOPDTFWPDLM-ONEGZZNKSA-N 1 0 271.368 1.716 10 10 CDCERO CN(C)c1ccc(C[NH2+]CC[C@]2(O)CCOC2)cc1F ZINC000846050603 727287315 /nfs/dbraw/zinc/28/73/15/727287315.db2.gz WVPIMQZVPHEWME-HNNXBMFYSA-N 1 0 282.359 1.523 10 10 CDCERO c1cc(N2CCOCC2)ccc1C[NH2+]C1COCCOC1 ZINC000386555102 727357181 /nfs/dbraw/zinc/35/71/81/727357181.db2.gz FVZQUZXRRXNMIM-UHFFFAOYSA-N 1 0 292.379 1.028 10 10 CDCERO CN(C)C(=O)C1([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000840958637 727365779 /nfs/dbraw/zinc/36/57/79/727365779.db2.gz QXDPJCODWZTWGE-UHFFFAOYSA-N 1 0 279.359 1.602 10 10 CDCERO CN(C)c1ccc(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)cc1 ZINC000924572441 727384760 /nfs/dbraw/zinc/38/47/60/727384760.db2.gz CDLLHXXQTQVWCF-GOEBONIOSA-N 1 0 259.397 1.936 10 10 CDCERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(O)c1O ZINC000780940286 727392278 /nfs/dbraw/zinc/39/22/78/727392278.db2.gz PDCNWHIUICZCDB-GFCCVEGCSA-N 1 0 290.363 1.715 10 10 CDCERO Cc1cc(O)c(CN2C[C@@H](C)O[C@H](CO)C2)c(Cl)c1 ZINC000840941859 727433357 /nfs/dbraw/zinc/43/33/57/727433357.db2.gz OEWVVFOVRMDZGD-MNOVXSKESA-N 1 0 285.771 1.936 10 10 CDCERO COC(OC)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000079608554 727803725 /nfs/dbraw/zinc/80/37/25/727803725.db2.gz WHXKALVEWOYWNL-NSHDSACASA-N 1 0 252.358 1.850 10 10 CDCERO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(F)ccc1O ZINC000825338600 727836982 /nfs/dbraw/zinc/83/69/82/727836982.db2.gz QWIHAPYKJZUDJI-LLVKDONJSA-N 1 0 268.332 1.030 10 10 CDCERO OCCC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839140322 727879225 /nfs/dbraw/zinc/87/92/25/727879225.db2.gz LQWQHTABKKOLGB-UHFFFAOYSA-N 1 0 276.380 1.337 10 10 CDCERO CN(C)c1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870856672 727886314 /nfs/dbraw/zinc/88/63/14/727886314.db2.gz VQEDRYWJBNIKEY-UHFFFAOYSA-N 1 0 287.407 1.901 10 10 CDCERO COC[C@](C)(O)CC[NH2+]Cc1cc(C)ccc1O ZINC000824559428 728091506 /nfs/dbraw/zinc/09/15/06/728091506.db2.gz TYIYAYQUWQLDHA-CQSZACIVSA-N 1 0 253.342 1.578 10 10 CDCERO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)cc1O ZINC000841746500 728175506 /nfs/dbraw/zinc/17/55/06/728175506.db2.gz GUIRTAFWAPOGDD-KWQFWETISA-N 1 0 268.744 1.975 10 10 CDCERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C1=CC(=O)CS1 ZINC000854642125 728256407 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CN(C)c1ccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000695654194 899680417 /nfs/dbraw/zinc/68/04/17/899680417.db2.gz UBMMXLDXWSWSFP-CYBMUJFWSA-N 1 0 259.353 1.416 10 10 CDCERO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)C1O ZINC000827153363 936495152 /nfs/dbraw/zinc/49/51/52/936495152.db2.gz ZSPOCEKDCMPHMY-NXEZZACHSA-N 1 0 279.336 1.570 10 10 CDCERO Oc1cc2c(cc1CN[C@H]1CCCC[NH2+]C1)OCO2 ZINC000841091328 936975384 /nfs/dbraw/zinc/97/53/84/936975384.db2.gz VDFAHCIJJVAYDR-NSHDSACASA-N 1 0 264.325 1.353 10 10 CDCERO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001142515941 937026151 /nfs/dbraw/zinc/02/61/51/937026151.db2.gz CJCJHKQVYBHHHA-ZDUSSCGKSA-N 1 0 292.379 1.488 10 10 CDCERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000842011031 937027347 /nfs/dbraw/zinc/02/73/47/937027347.db2.gz PTURATZVQLAVGL-ZYHUDNBSSA-N 1 0 263.341 1.319 10 10 CDCERO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000842011029 937027644 /nfs/dbraw/zinc/02/76/44/937027644.db2.gz PTURATZVQLAVGL-JQWIXIFHSA-N 1 0 263.341 1.319 10 10 CDCERO COc1cccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858342990 928843154 /nfs/dbraw/zinc/84/31/54/928843154.db2.gz RQISRNUNZMJKRT-ZDUSSCGKSA-N 1 0 290.363 1.644 10 10 CDCERO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC ZINC000697901698 937287445 /nfs/dbraw/zinc/28/74/45/937287445.db2.gz AJMVVYHZEAGNAB-BXUZGUMPSA-N 1 0 263.385 1.928 10 10 CDCERO O=C1C[C@@H](CC[NH2+]Cc2ccc(N3CCCC3)cc2)CN1 ZINC001350903601 966794287 /nfs/dbraw/zinc/79/42/87/966794287.db2.gz RNPBUAFSWPAGME-OAHLLOKOSA-N 1 0 287.407 1.903 10 10 CDCERO CCc1cccc(C[NH2+][C@@H](C)Cn2cncn2)c1O ZINC000848894923 969340077 /nfs/dbraw/zinc/34/00/77/969340077.db2.gz NXFSEPVCEQWLKM-NSHDSACASA-N 1 0 260.341 1.724 10 10 CDCERO CCc1cccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000848903401 969343375 /nfs/dbraw/zinc/34/33/75/969343375.db2.gz RWUYJHUICXIPAC-INIZCTEOSA-N 1 0 277.364 1.946 10 10 CDCERO Nc1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000083514275 178543777 /nfs/dbraw/zinc/54/37/77/178543777.db2.gz LGVAKZPBIZKAFL-HNNXBMFYSA-N 1 0 269.348 1.455 10 10 CDCERO COc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1C ZINC000065611120 363407702 /nfs/dbraw/zinc/40/77/02/363407702.db2.gz DOKHHOIAKVWQQU-CQSZACIVSA-N 1 0 264.369 1.424 10 10 CDCERO [NH3+]CC[C@@H]([NH3+])c1cc(F)cc(Br)c1[O-] ZINC000306789783 375125360 /nfs/dbraw/zinc/12/53/60/375125360.db2.gz XZZUJQFBYXPQBV-MRVPVSSYSA-N 1 0 263.110 1.642 10 10 CDCERO C[C@@H]([NH3+])c1ccc(N2CCS(=O)(=O)CC2)c(F)c1 ZINC000036162024 134806971 /nfs/dbraw/zinc/80/69/71/134806971.db2.gz CDCCFIJPKQGKTO-SECBINFHSA-N 1 0 272.345 1.080 10 10 CDCERO Oc1ccccc1C[NH2+]Cc1nnc2ccccn21 ZINC000020185375 171048666 /nfs/dbraw/zinc/04/86/66/171048666.db2.gz XCJINMXDJNVVKR-UHFFFAOYSA-N 1 0 254.293 1.725 10 10 CDCERO CNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000037224849 173044742 /nfs/dbraw/zinc/04/47/42/173044742.db2.gz LBIIQKFZQMTGFD-JTQLQIEISA-N 1 0 258.321 1.942 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000184934621 262034288 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Cc1cccc(C[NH2+]C[C@@H]2CCCCN2CCO)c1O ZINC000824582867 733203739 /nfs/dbraw/zinc/20/37/39/733203739.db2.gz CQWFZEHQQNKGDB-HNNXBMFYSA-N 1 0 278.396 1.637 10 10 CDCERO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000861700538 733434717 /nfs/dbraw/zinc/43/47/17/733434717.db2.gz GUBWJTHKERCSFA-GBIKHYSHSA-N 1 0 293.367 1.511 10 10 CDCERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000824636420 733491570 /nfs/dbraw/zinc/49/15/70/733491570.db2.gz PWQHNYNGOQZOGN-PWSUYJOCSA-N 1 0 279.336 1.714 10 10 CDCERO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1CCO ZINC000190251886 733517201 /nfs/dbraw/zinc/51/72/01/733517201.db2.gz ZJYGDYBMEXLNEG-LLVKDONJSA-N 1 0 268.332 1.030 10 10 CDCERO CC[S@](=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000134640243 733520211 /nfs/dbraw/zinc/52/02/11/733520211.db2.gz XNGXUNCTKXZUAD-QGZVFWFLSA-N 1 0 253.367 1.480 10 10 CDCERO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CNCCO1 ZINC000852745102 733586613 /nfs/dbraw/zinc/58/66/13/733586613.db2.gz OWLIOWVENCRIPP-AWEZNQCLSA-N 1 0 264.369 1.593 10 10 CDCERO CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054308704 733655655 /nfs/dbraw/zinc/65/56/55/733655655.db2.gz ULBUDLKWGIUHIO-AWEZNQCLSA-N 1 0 275.396 1.759 10 10 CDCERO CC[C@H](Cn1cncn1)[NH2+]CCc1ccc(N)cc1 ZINC000817957355 733801552 /nfs/dbraw/zinc/80/15/52/733801552.db2.gz LHZRNQPNNNGNEP-CQSZACIVSA-N 1 0 259.357 1.471 10 10 CDCERO Cc1cccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1O ZINC000180128113 733831161 /nfs/dbraw/zinc/83/11/61/733831161.db2.gz YXORYTUVGAAFGN-HNNXBMFYSA-N 1 0 287.363 1.798 10 10 CDCERO COc1cccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)c1O ZINC000849002628 733942730 /nfs/dbraw/zinc/94/27/30/733942730.db2.gz MVZJRLOKXNRLDA-JTQLQIEISA-N 1 0 279.340 1.146 10 10 CDCERO CCN1CC[C@@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000712536455 733968701 /nfs/dbraw/zinc/96/87/01/733968701.db2.gz SUIFDOXRMYSNFH-GFCCVEGCSA-N 1 0 250.342 1.585 10 10 CDCERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000827544839 734009816 /nfs/dbraw/zinc/00/98/16/734009816.db2.gz LVOLZQPPRWHRNQ-CYBMUJFWSA-N 1 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CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001638022471 1166814372 /nfs/dbraw/zinc/81/43/72/1166814372.db2.gz FHIKFPBJABZWSA-GFCCVEGCSA-N 1 0 294.395 1.877 10 10 CDCERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(F)ccc1O ZINC000404193668 897132158 /nfs/dbraw/zinc/13/21/58/897132158.db2.gz LWZIDMOOIZQEMG-IINYFYTJSA-N 1 0 269.316 1.723 10 10 CDCERO C[C@H](CC[NH+](C)C)C(=O)N(C)Cc1ccccc1O ZINC001137345651 936494007 /nfs/dbraw/zinc/49/40/07/936494007.db2.gz QVNDMQKWENNNCB-GFCCVEGCSA-N 1 0 264.369 1.938 10 10 CDCERO Cc1ccc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c(O)c1 ZINC000850507289 927437367 /nfs/dbraw/zinc/43/73/67/927437367.db2.gz IKAOEWRLCPPYLT-XJKSGUPXSA-N 1 0 295.379 1.519 10 10 CDCERO C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861549493 929303866 /nfs/dbraw/zinc/30/38/66/929303866.db2.gz JCOQIPNEKJQSBL-GXTWGEPZSA-N 1 0 290.411 1.692 10 10 CDCERO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136652658 931223232 /nfs/dbraw/zinc/22/32/32/931223232.db2.gz AEFGKJNLKQGFAA-JTQLQIEISA-N 1 0 291.355 1.919 10 10 CDCERO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC001119445572 937720614 /nfs/dbraw/zinc/72/06/14/937720614.db2.gz NSUHZMNOBWXNSZ-CYBMUJFWSA-N 1 0 263.337 1.666 10 10 CDCERO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c(O)c1O ZINC001124107576 936285424 /nfs/dbraw/zinc/28/54/24/936285424.db2.gz WVAKDWITUVZKTA-KGYLQXTDSA-N 1 0 290.363 1.476 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1 ZINC000404205174 940957184 /nfs/dbraw/zinc/95/71/84/940957184.db2.gz PTBVLGKPZCJKFQ-XHDPSFHLSA-N 1 0 281.352 1.593 10 10 CDCERO CCO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000405285750 940978466 /nfs/dbraw/zinc/97/84/66/940978466.db2.gz DWNSGSRLAWVGIJ-GDBMZVCRSA-N 1 0 277.412 1.548 10 10 CDCERO O=C(NCc1ccccc1O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407394678 941243658 /nfs/dbraw/zinc/24/36/58/941243658.db2.gz CIWYBPYFDUSPTH-STQMWFEESA-N 1 0 260.337 1.539 10 10 CDCERO Nc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001326094825 954214529 /nfs/dbraw/zinc/21/45/29/954214529.db2.gz NKXPPCOXJIFFEN-KGLIPLIRSA-N 1 0 261.369 1.445 10 10 CDCERO C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)[N@H+]1C ZINC001556828459 965108354 /nfs/dbraw/zinc/10/83/54/965108354.db2.gz RZJWGXNFNMDBSQ-PHIMTYICSA-N 1 0 278.352 1.191 10 10 CDCERO COc1ccc(Br)c([C@H]([NH3+])CCO)c1O ZINC000044233883 360266871 /nfs/dbraw/zinc/26/68/71/360266871.db2.gz BHKWRCCTVGKBLC-SSDOTTSWSA-N 1 0 276.130 1.546 10 10 CDCERO COc1cccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000284184813 368503517 /nfs/dbraw/zinc/50/35/17/368503517.db2.gz XVNZOVDBYAXNBM-JSGCOSHPSA-N 1 0 297.395 1.648 10 10 CDCERO Cc1cccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000284996426 368567984 /nfs/dbraw/zinc/56/79/84/368567984.db2.gz JFTMNUODKYBRQO-ZIAGYGMSSA-N 1 0 281.396 1.948 10 10 CDCERO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1N1CCOCC1 ZINC000245900233 376307152 /nfs/dbraw/zinc/30/71/52/376307152.db2.gz DOFBJOJBXPEBRK-SWLSCSKDSA-N 1 0 294.370 1.684 10 10 CDCERO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCNC1=O ZINC000179194952 391198611 /nfs/dbraw/zinc/19/86/11/391198611.db2.gz FDHBRFNOYHISEA-INIZCTEOSA-N 1 0 287.407 1.997 10 10 CDCERO COc1ccc(O)c([C@H](C)N2CCC[NH2+]CC2)c1 ZINC000038086841 174097953 /nfs/dbraw/zinc/09/79/53/174097953.db2.gz UXCYSNJQYUBWJK-NSHDSACASA-N 1 0 250.342 1.757 10 10 CDCERO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000081901610 260186188 /nfs/dbraw/zinc/18/61/88/260186188.db2.gz IRRAZFMERSXNBL-NSHDSACASA-N 1 0 282.409 1.202 10 10 CDCERO CN1CCc2cc(C[NH2+]C[C@H]3CN(C)CCO3)ccc21 ZINC000091666828 260266218 /nfs/dbraw/zinc/26/62/18/260266218.db2.gz JUYMXYBJRUTQGD-HNNXBMFYSA-N 1 0 275.396 1.099 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000185993831 262074986 /nfs/dbraw/zinc/07/49/86/262074986.db2.gz YXHDKBJTKJHMJC-QWRGUYRKSA-N 1 0 288.351 1.658 10 10 CDCERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)ccc1O ZINC000185994656 262075297 /nfs/dbraw/zinc/07/52/97/262075297.db2.gz CHVXJHBUOQHNLH-KOLCDFICSA-N 1 0 276.315 1.788 10 10 CDCERO CCOc1cccc(C[NH2+]CCc2cn[nH]c2)c1O ZINC000289919322 521366245 /nfs/dbraw/zinc/36/62/45/521366245.db2.gz SFFZRGPRLZEMFQ-UHFFFAOYSA-N 1 0 261.325 1.846 10 10 CDCERO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000089165386 524751520 /nfs/dbraw/zinc/75/15/20/524751520.db2.gz DUBBRBLDYIKULG-MFKMUULPSA-N 1 0 251.326 1.651 10 10 CDCERO C[C@@H](CO)[N@H+](C)Cc1cc(Br)ccc1O ZINC000289444476 524784744 /nfs/dbraw/zinc/78/47/44/524784744.db2.gz MGXJSFJVRWIVFS-QMMMGPOBSA-N 1 0 274.158 1.967 10 10 CDCERO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCC[C@H]1O)OCO2 ZINC000085979135 526336208 /nfs/dbraw/zinc/33/62/08/526336208.db2.gz FHOCKKQRHRUWJZ-ZYHUDNBSSA-N 1 0 279.336 1.762 10 10 CDCERO COc1ccc(N2CC[NH+](CC3(O)CCC3)CC2)cc1F ZINC000757844384 577057648 /nfs/dbraw/zinc/05/76/48/577057648.db2.gz YZXJONFVTIGDDO-UHFFFAOYSA-N 1 0 294.370 1.871 10 10 CDCERO COc1cc([N+](=O)[O-])c(N2C[C@H](C)[C@H]([NH3+])C2)cc1OC ZINC000300166024 617239656 /nfs/dbraw/zinc/23/96/56/617239656.db2.gz KZUMMYHTAOQGHU-DTWKUNHWSA-N 1 0 281.312 1.395 10 10 CDCERO OCCC1C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862390508 620732249 /nfs/dbraw/zinc/73/22/49/620732249.db2.gz XOOWBKKRTZDKGJ-UHFFFAOYSA-N 1 0 286.169 1.969 10 10 CDCERO C[C@H]([NH2+][C@H]1CNOC1)c1cc(Br)ccc1O ZINC000925868069 617923540 /nfs/dbraw/zinc/92/35/40/617923540.db2.gz ACRWHIHHJSDNIP-CBAPKCEASA-N 1 0 287.157 1.709 10 10 CDCERO COC[C@@H](O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840906112 618676392 /nfs/dbraw/zinc/67/63/92/618676392.db2.gz DIWDPNYITHPKNL-JTQLQIEISA-N 1 0 273.760 1.841 10 10 CDCERO C[C@@H]1[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC[N@@H+]1C ZINC000928442151 619087204 /nfs/dbraw/zinc/08/72/04/619087204.db2.gz VBXXPEGEOAHYSA-INCYKZHSSA-N 1 0 276.336 1.320 10 10 CDCERO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651208 619777454 /nfs/dbraw/zinc/77/74/54/619777454.db2.gz YOMQEYTXJZFUOQ-CABZTGNLSA-N 1 0 284.153 1.721 10 10 CDCERO Cc1cccc(O)c1C[NH+]1CCC(O)(COCCO)CC1 ZINC000895829963 619865851 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CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)[NH+](C)C ZINC001350299899 966627352 /nfs/dbraw/zinc/62/73/52/966627352.db2.gz KHIZEXVTDNOHFU-LBPRGKRZSA-N 1 0 266.341 1.300 10 10 CDCERO [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001350320071 966632020 /nfs/dbraw/zinc/63/20/20/966632020.db2.gz SZXKRWLQKSNTNM-NSHDSACASA-N 1 0 255.264 1.627 10 10 CDCERO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273594214 365510416 /nfs/dbraw/zinc/51/04/16/365510416.db2.gz QCZVSBXNRHQUHU-NXEZZACHSA-N 1 0 264.304 1.862 10 10 CDCERO Cc1cccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000284996420 368568073 /nfs/dbraw/zinc/56/80/73/368568073.db2.gz JFTMNUODKYBRQO-KGLIPLIRSA-N 1 0 281.396 1.948 10 10 CDCERO CN(C)C(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179553482 391210478 /nfs/dbraw/zinc/21/04/78/391210478.db2.gz FVGDIWBBCJXBHV-UHFFFAOYSA-N 1 0 262.353 1.692 10 10 CDCERO CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000079516616 1172801171 /nfs/dbraw/zinc/80/11/71/1172801171.db2.gz GGEXTGSKWZNJDH-MRXNPFEDSA-N 1 0 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CCc1cccc(C[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)c1O ZINC000848917664 818451264 /nfs/dbraw/zinc/45/12/64/818451264.db2.gz JFZMGPRZBRUYFY-KBPBESRZSA-N 1 0 292.423 1.842 10 10 CDCERO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000846171287 818459637 /nfs/dbraw/zinc/45/96/37/818459637.db2.gz FOTSJRLDOVIILY-RULNRJAQSA-N 1 0 251.326 1.965 10 10 CDCERO CN(C)c1ccc(/C=C\C[NH2+]CC[C@]2(O)CCOC2)cc1 ZINC000846049713 818531611 /nfs/dbraw/zinc/53/16/11/818531611.db2.gz QCIILVLFZBZCFO-LIMHQNJXSA-N 1 0 290.407 1.897 10 10 CDCERO CN(C)c1ccc(/C=C\CN2CCO[C@H](C[NH3+])C2)cc1 ZINC000843066274 818670536 /nfs/dbraw/zinc/67/05/36/818670536.db2.gz TZRUHPXSUBHPLD-MJSXRHKHSA-N 1 0 275.396 1.425 10 10 CDCERO Cc1cc(O)c(C[N@@H+]2CCC(=O)N(C)CC2)cc1C ZINC000827359309 818771438 /nfs/dbraw/zinc/77/14/38/818771438.db2.gz LJEKMLZMILKOOY-UHFFFAOYSA-N 1 0 262.353 1.673 10 10 CDCERO CCOc1cccc(C[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000716697003 818774136 /nfs/dbraw/zinc/77/41/36/818774136.db2.gz CYTHGVPTWVQAML-SNVBAGLBSA-N 1 0 275.295 1.897 10 10 CDCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1F ZINC000858141279 819016329 /nfs/dbraw/zinc/01/63/29/819016329.db2.gz MLMFOFYBDRUBMG-LLVKDONJSA-N 1 0 297.349 1.741 10 10 CDCERO CN(C)C(=O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034539 819088272 /nfs/dbraw/zinc/08/82/72/819088272.db2.gz BYEIHOLERKWUAM-WAYWQWQTSA-N 1 0 275.396 1.834 10 10 CDCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000835024540 819194869 /nfs/dbraw/zinc/19/48/69/819194869.db2.gz GBAANMKZZXZCSQ-UJAVWCLSSA-N 1 0 287.407 1.963 10 10 CDCERO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1C ZINC000844741778 819229817 /nfs/dbraw/zinc/22/98/17/819229817.db2.gz NWXOATNXEBSYCC-ZJNRKIDTSA-N 1 0 265.378 1.714 10 10 CDCERO C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842002715 819801265 /nfs/dbraw/zinc/80/12/65/819801265.db2.gz GQCLJJCHCZQBRR-NEPJUHHUSA-N 1 0 278.400 1.630 10 10 CDCERO CC(C)[NH2+]CCCNC(=O)NCc1ccccc1O ZINC000841932869 819836349 /nfs/dbraw/zinc/83/63/49/819836349.db2.gz UAWISLLHEDHFSI-UHFFFAOYSA-N 1 0 265.357 1.580 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)c1 ZINC000859232581 819876423 /nfs/dbraw/zinc/87/64/23/819876423.db2.gz MUWKGFTYLXHCDI-NEPJUHHUSA-N 1 0 295.379 1.717 10 10 CDCERO COc1cccc(C[N@@H+]2CCC[C@@](CO)(OC)C2)c1O ZINC000826952773 819899886 /nfs/dbraw/zinc/89/98/86/819899886.db2.gz SOPHKUCWPPEHHN-OAHLLOKOSA-N 1 0 281.352 1.374 10 10 CDCERO CCOc1cccc(CN[C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487222 820040022 /nfs/dbraw/zinc/04/00/22/820040022.db2.gz LLQQHJZQLWAWFB-CMPLNLGQSA-N 1 0 250.342 1.631 10 10 CDCERO COc1cccc(CN[C@@H](C)c2cn(C)nn2)c1O ZINC000720540529 820099866 /nfs/dbraw/zinc/09/98/66/820099866.db2.gz MDBCKACABMEIGH-VIFPVBQESA-N 1 0 262.313 1.380 10 10 CDCERO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000818996546 820259137 /nfs/dbraw/zinc/25/91/37/820259137.db2.gz HZXWGNGNOZBCFZ-HNNXBMFYSA-N 1 0 288.322 1.979 10 10 CDCERO CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H](O)CO ZINC000817417559 820922543 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ZINC000842737641 725047059 /nfs/dbraw/zinc/04/70/59/725047059.db2.gz QEDDRJQIRFMHJP-UHFFFAOYSA-N 1 0 290.367 1.642 10 10 CDCERO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457752 725052576 /nfs/dbraw/zinc/05/25/76/725052576.db2.gz ZLTWCONMDCXMFN-WCQYABFASA-N 1 0 262.353 1.726 10 10 CDCERO CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cc1[O-] ZINC000925813243 725117549 /nfs/dbraw/zinc/11/75/49/725117549.db2.gz UBMPZXZHIWTMTH-OAHLLOKOSA-N 1 0 295.402 1.995 10 10 CDCERO COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000862475671 725190445 /nfs/dbraw/zinc/19/04/45/725190445.db2.gz SOIUGMKSZOLHSX-HNNXBMFYSA-N 1 0 279.336 1.465 10 10 CDCERO COc1cccc(C[NH2+]CC(=O)NCc2ccco2)c1O ZINC000237188560 725236251 /nfs/dbraw/zinc/23/62/51/725236251.db2.gz AJTVVYPLKWZWPZ-UHFFFAOYSA-N 1 0 290.319 1.400 10 10 CDCERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(F)ccc1O ZINC000724622559 725265965 /nfs/dbraw/zinc/26/59/65/725265965.db2.gz IOMVLOZZXVJZEH-FCIGDQIPSA-N 1 0 281.327 1.986 10 10 CDCERO COc1cc(O)c(C[NH2+][C@](C)(CO)C(C)C)cc1OC ZINC000811516615 725293126 /nfs/dbraw/zinc/29/31/26/725293126.db2.gz YAKHTYJHDBRIBG-OAHLLOKOSA-N 1 0 283.368 1.906 10 10 CDCERO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000824455183 725310649 /nfs/dbraw/zinc/31/06/49/725310649.db2.gz QSFPJIDJOVYHLI-LLVKDONJSA-N 1 0 294.326 1.805 10 10 CDCERO CN(CC1C[NH+](C)C1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855638566 725336963 /nfs/dbraw/zinc/33/69/63/725336963.db2.gz LUKZTTFYLQQBNG-XQRVVYSFSA-N 1 0 276.336 1.131 10 10 CDCERO CC[NH2+]CCCNC(=O)NCc1ccccc1O ZINC000841917249 725353564 /nfs/dbraw/zinc/35/35/64/725353564.db2.gz CFZQANQXELHEMX-UHFFFAOYSA-N 1 0 251.330 1.191 10 10 CDCERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(F)ccc1O ZINC000185778591 725362724 /nfs/dbraw/zinc/36/27/24/725362724.db2.gz QJANDNKCBHJAAT-IAQYHMDHSA-N 1 0 283.343 1.971 10 10 CDCERO CCON(CC)C(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858219037 725390670 /nfs/dbraw/zinc/39/06/70/725390670.db2.gz CKXHLEIWDHQYCU-UHFFFAOYSA-N 1 0 296.323 1.011 10 10 CDCERO C[C@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C[NH2+]1 ZINC000861641418 725396847 /nfs/dbraw/zinc/39/68/47/725396847.db2.gz RUEMOMFBLLRAAZ-FZMZJTMJSA-N 1 0 276.384 1.251 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000185777487 725410877 /nfs/dbraw/zinc/41/08/77/725410877.db2.gz KFWCEPCURAMOQE-WBMJQRKESA-N 1 0 295.379 1.841 10 10 CDCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1 ZINC000714244896 725419012 /nfs/dbraw/zinc/41/90/12/725419012.db2.gz VKHAFIAVXNYYLD-SRVKXCTJSA-N 1 0 283.393 1.927 10 10 CDCERO Oc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655051 725423334 /nfs/dbraw/zinc/42/33/34/725423334.db2.gz SZFFIISYITWQJL-KFWWJZLASA-N 1 0 277.364 1.754 10 10 CDCERO COc1cccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1O ZINC000714354723 725516033 /nfs/dbraw/zinc/51/60/33/725516033.db2.gz AZKHOYQTEOYYDR-GFCCVEGCSA-N 1 0 299.392 1.458 10 10 CDCERO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccccc1O ZINC000927128713 725590140 /nfs/dbraw/zinc/59/01/40/725590140.db2.gz DQFNTWMDCYCNOF-HZMBPMFUSA-N 1 0 261.325 1.510 10 10 CDCERO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1(S(C)(=O)=O)CC1 ZINC000834799157 725683468 /nfs/dbraw/zinc/68/34/68/725683468.db2.gz WVTSEYKIVRRESZ-CMPLNLGQSA-N 1 0 295.404 1.935 10 10 CDCERO CN1CCC[NH+]=C1NCc1cc(Br)ccc1O ZINC000849027651 725976252 /nfs/dbraw/zinc/97/62/52/725976252.db2.gz ALOWZZIODQVQKN-UHFFFAOYSA-N 1 0 298.184 1.936 10 10 CDCERO COC(=O)N(C)CC[N@H+](C)Cc1cc(C)ccc1O ZINC000690811823 899684196 /nfs/dbraw/zinc/68/41/96/899684196.db2.gz DREBBMCPKPLHMD-UHFFFAOYSA-N 1 0 266.341 1.831 10 10 CDCERO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001169079380 927707289 /nfs/dbraw/zinc/70/72/89/927707289.db2.gz NSZKNXRJVWLDPT-CYBMUJFWSA-N 1 0 276.384 1.256 10 10 CDCERO C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)C[NH+]2CCC1CC2 ZINC001146873983 932349984 /nfs/dbraw/zinc/34/99/84/932349984.db2.gz NZAVXWGSZAXACQ-INIZCTEOSA-N 1 0 290.363 1.241 10 10 CDCERO Oc1cccc2c1[C@H]([NH2+]CC[C@]1(O)CCOC1)CC2 ZINC000404214918 940958056 /nfs/dbraw/zinc/95/80/56/940958056.db2.gz SPWHUKXSRFMXJH-DOMZBBRYSA-N 1 0 263.337 1.511 10 10 CDCERO CN(C)c1cc[nH+]c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001295558882 954701459 /nfs/dbraw/zinc/70/14/59/954701459.db2.gz HTKLLDZHWIKOHT-UHFFFAOYSA-N 1 0 287.319 1.740 10 10 CDCERO O=C(NCc1c(O)cccc1O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001472064074 970558828 /nfs/dbraw/zinc/55/88/28/970558828.db2.gz VOOYHXSIWWBYSH-WCQYABFASA-N 1 0 290.363 1.731 10 10 CDCERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093739659 342235880 /nfs/dbraw/zinc/23/58/80/342235880.db2.gz SPYKCMHVNKTABS-INIZCTEOSA-N 1 0 291.439 1.641 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCOCC2)c1 ZINC000162583791 362758056 /nfs/dbraw/zinc/75/80/56/362758056.db2.gz XWRMJJGPHRBVAN-NSHDSACASA-N 1 0 281.352 1.593 10 10 CDCERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1ccc(O)c(O)c1 ZINC000059848311 348881742 /nfs/dbraw/zinc/88/17/42/348881742.db2.gz WINLPRNPBKQCDU-NOZJJQNGSA-N 1 0 266.341 1.130 10 10 CDCERO Oc1cccc(C[NH2+]CCOCC(F)(F)F)c1O 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CDCERO COc1cccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c1O ZINC000858470959 928869133 /nfs/dbraw/zinc/86/91/33/928869133.db2.gz QBBNKZDMEYIMFX-CYZMBNFOSA-N 1 0 281.352 1.591 10 10 CDCERO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001136610353 931186257 /nfs/dbraw/zinc/18/62/57/931186257.db2.gz ZRYGNMSMIAYFLY-UHFFFAOYSA-N 1 0 278.352 1.195 10 10 CDCERO Cc1cc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)ccc1N(C)C ZINC001473693219 970834405 /nfs/dbraw/zinc/83/44/05/970834405.db2.gz GSIJCQGSYUPPCM-KBPBESRZSA-N 1 0 274.364 1.666 10 10 CDCERO CCOc1cccc(C[NH2+]CCOCCCO)c1O ZINC001323747140 960952489 /nfs/dbraw/zinc/95/24/89/960952489.db2.gz FAXYNFBKDIGHFR-UHFFFAOYSA-N 1 0 269.341 1.280 10 10 CDCERO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001459871497 969454467 /nfs/dbraw/zinc/45/44/67/969454467.db2.gz AQFYUULTNRMMLO-WMLDXEAASA-N 1 0 290.407 1.726 10 10 CDCERO COc1ccc(N2CC[NH+]([C@H](C)[C@H](C)O)CC2)c(OC)c1 ZINC001460662728 969529608 /nfs/dbraw/zinc/52/96/08/969529608.db2.gz KHWHJLJPAZLBGF-OLZOCXBDSA-N 1 0 294.395 1.595 10 10 CDCERO [NH3+][C@H](CO)c1cc(SC(F)(F)F)ccc1O ZINC000072199184 356652529 /nfs/dbraw/zinc/65/25/29/356652529.db2.gz HIHNCXXETCKZBZ-SSDOTTSWSA-N 1 0 253.245 1.996 10 10 CDCERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000368091807 359054504 /nfs/dbraw/zinc/05/45/04/359054504.db2.gz XVPSKQXCUSALTM-CYBMUJFWSA-N 1 0 269.348 1.992 10 10 CDCERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(F)ccc1O ZINC000094618491 360230532 /nfs/dbraw/zinc/23/05/32/360230532.db2.gz DVPOALDFROMBEJ-PWSUYJOCSA-N 1 0 268.332 1.513 10 10 CDCERO Cc1cc(Cl)cc(C[NH2+]C2(CO)CCOCC2)c1O ZINC000271848687 365000376 /nfs/dbraw/zinc/00/03/76/365000376.db2.gz IHOHDGUDMJBPMY-UHFFFAOYSA-N 1 0 285.771 1.985 10 10 CDCERO COC(=O)[C@]12C[N@H+](Cc3ccccc3O)C[C@H]1COCC2 ZINC000376015086 391209902 /nfs/dbraw/zinc/20/99/02/391209902.db2.gz PSUDHEWEYFKLLR-XJKSGUPXSA-N 1 0 291.347 1.404 10 10 CDCERO COc1ccc([C@H]([NH2+]CC(N)=O)c2ccccc2)c(O)c1 ZINC000021964511 171343577 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283.368 1.932 10 10 CDCERO CCON(CC)C(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000858219479 747848964 /nfs/dbraw/zinc/84/89/64/747848964.db2.gz OMXBZNYZRDLWCG-UHFFFAOYSA-N 1 0 282.340 1.290 10 10 CDCERO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000702513169 747869239 /nfs/dbraw/zinc/86/92/39/747869239.db2.gz FBSRWWLCTMLVKH-FZMZJTMJSA-N 1 0 253.342 1.749 10 10 CDCERO Oc1cc2c(cc1C[NH2+]C1(CF)CCOCC1)OCO2 ZINC000824690778 747890078 /nfs/dbraw/zinc/89/00/78/747890078.db2.gz LPEQKZDATBIJBF-UHFFFAOYSA-N 1 0 283.299 1.729 10 10 CDCERO CCS(=O)(=O)C1(C[NH2+]Cc2cccc(C)c2O)CC1 ZINC000703512854 748154312 /nfs/dbraw/zinc/15/43/12/748154312.db2.gz YWNGQQWCSPXPKB-UHFFFAOYSA-N 1 0 283.393 1.758 10 10 CDCERO C[C@H](O)[C@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000865737747 748192600 /nfs/dbraw/zinc/19/26/00/748192600.db2.gz DNGAQCZTVDMZCP-WBBZJUAJSA-N 1 0 264.369 1.097 10 10 CDCERO COc1cccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1O ZINC000714354725 748812900 /nfs/dbraw/zinc/81/29/00/748812900.db2.gz 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CCc1cccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000848913568 772703529 /nfs/dbraw/zinc/70/35/29/772703529.db2.gz AQFNBRLIOXCEBV-CVEARBPZSA-N 1 0 290.407 1.860 10 10 CDCERO C[C@@H](C[NH+](C)C)NC(=O)NCc1c(O)cccc1F ZINC000922479185 772719126 /nfs/dbraw/zinc/71/91/26/772719126.db2.gz RXOWOOTWUAUZSX-VIFPVBQESA-N 1 0 269.320 1.281 10 10 CDCERO O=S1(=O)CC(CC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000786824724 772833266 /nfs/dbraw/zinc/83/32/66/772833266.db2.gz LZDWQABTFDMRAS-UHFFFAOYSA-N 1 0 289.784 1.570 10 10 CDCERO C[C@H]([NH2+]CCOCCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000863548043 772844827 /nfs/dbraw/zinc/84/48/27/772844827.db2.gz UIHIFRSABVGDGI-JTQLQIEISA-N 1 0 283.328 1.316 10 10 CDCERO Nc1ccc(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000834805432 772860134 /nfs/dbraw/zinc/86/01/34/772860134.db2.gz SMSMGDVCSSFGAA-OKILXGFUSA-N 1 0 273.380 1.269 10 10 CDCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726768 772890570 /nfs/dbraw/zinc/89/05/70/772890570.db2.gz 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/nfs/dbraw/zinc/44/96/79/896449679.db2.gz AADCTBMYUQEXKB-SNVBAGLBSA-N 1 0 267.325 1.712 10 10 CDCERO COC(=O)N(C)CC[N@H+](C)Cc1cccc(OC)c1O ZINC000690815422 899777900 /nfs/dbraw/zinc/77/79/00/899777900.db2.gz HQQLBIFEFVUXCW-UHFFFAOYSA-N 1 0 282.340 1.531 10 10 CDCERO CCOc1cccc(CN2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000720815580 935250049 /nfs/dbraw/zinc/25/00/49/935250049.db2.gz FWCXENCNIBCBHQ-CYBMUJFWSA-N 1 0 264.369 1.960 10 10 CDCERO COc1cccc(O)c1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000827152831 936494964 /nfs/dbraw/zinc/49/49/64/936494964.db2.gz WWKKWFVCIXDTDT-GHMZBOCLSA-N 1 0 265.353 1.850 10 10 CDCERO COc1ccc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1C ZINC000922973626 923414882 /nfs/dbraw/zinc/41/48/82/923414882.db2.gz QVEQZIAOZVLKTI-CQSZACIVSA-N 1 0 275.352 1.560 10 10 CDCERO COc1ccc(C[NH2+]CC2(C)OCCO2)cc1C ZINC000716871516 925579884 /nfs/dbraw/zinc/57/98/84/925579884.db2.gz KWEMGACEPRHWLU-UHFFFAOYSA-N 1 0 251.326 1.856 10 10 CDCERO CC(C)(C[NH2+]Cc1ccccc1O)[C@]1(O)CCOC1 ZINC000842758083 937077722 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ZINC000184936371 262033890 /nfs/dbraw/zinc/03/38/90/262033890.db2.gz AISHYYUDQJTLEW-VXGBXAGGSA-N 1 0 282.359 1.903 10 10 CDCERO COc1c(O)c(C[N@H+](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278214721 521870460 /nfs/dbraw/zinc/87/04/60/521870460.db2.gz KSBRHRGHPKCLBG-SNVBAGLBSA-N 1 0 282.296 1.530 10 10 CDCERO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000895708087 619812658 /nfs/dbraw/zinc/81/26/58/619812658.db2.gz OVFRXGGMRWFCFZ-HNNXBMFYSA-N 1 0 279.336 1.119 10 10 CDCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1 ZINC000903278799 625949555 /nfs/dbraw/zinc/94/95/55/625949555.db2.gz HGSKHGZHUNOPHT-XJKSGUPXSA-N 1 0 294.395 1.044 10 10 CDCERO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000903960407 626160332 /nfs/dbraw/zinc/16/03/32/626160332.db2.gz JDHLMUGODWQSMB-ZWNOBZJWSA-N 1 0 251.349 1.589 10 10 CDCERO C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1O ZINC000870988373 1165250215 /nfs/dbraw/zinc/25/02/15/1165250215.db2.gz NWDYUSPIFWWTRK-AAEUAGOBSA-N 1 0 274.364 1.959 10 10 CDCERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001651223018 1171304495 /nfs/dbraw/zinc/30/44/95/1171304495.db2.gz WIFMQKIZCWQLBZ-CYBMUJFWSA-N 1 0 278.352 1.588 10 10 CDCERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(F)ccc(O)c3O)[C@@H]2C1 ZINC001654864115 1171644841 /nfs/dbraw/zinc/64/48/41/1171644841.db2.gz IMKOMDQFVQJOAM-IQJOONFLSA-N 1 0 294.326 1.307 10 10 CDCERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)C2)cc1 ZINC000852899992 790594869 /nfs/dbraw/zinc/59/48/69/790594869.db2.gz FVDZHMNZKVUFNJ-AVGNSLFASA-N 1 0 289.379 1.127 10 10 CDCERO CCOc1cccc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000213143269 790694051 /nfs/dbraw/zinc/69/40/51/790694051.db2.gz CJWTWIBCGMLFQW-UHFFFAOYSA-N 1 0 261.325 1.814 10 10 CDCERO CCOc1ccc(O)c(CN[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863487046 790883865 /nfs/dbraw/zinc/88/38/65/790883865.db2.gz JOOPFOOLIKUPMW-GXFFZTMASA-N 1 0 250.342 1.631 10 10 CDCERO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCNC2=O)c1O ZINC000775744466 790953942 /nfs/dbraw/zinc/95/39/42/790953942.db2.gz 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[O-]c1c(F)cccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954230 626166691 /nfs/dbraw/zinc/16/66/91/626166691.db2.gz AWORZEFZNLWCIN-SNVBAGLBSA-N 1 0 274.286 1.866 10 10 CDCERO COc1cccc(O)c1CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903982934 626172667 /nfs/dbraw/zinc/17/26/67/626172667.db2.gz ZZJKPYZKWVTPKI-NXEZZACHSA-N 1 0 290.285 1.722 10 10 CDCERO Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000920181180 632735520 /nfs/dbraw/zinc/73/55/20/632735520.db2.gz FEKDIRCWFIBEDN-UHFFFAOYSA-N 1 0 298.390 1.911 10 10 CDCERO CO[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1OC ZINC000792711880 1162357555 /nfs/dbraw/zinc/35/75/55/1162357555.db2.gz COHZGXJTFYFRBX-IYBDPMFKSA-N 1 0 277.364 1.727 10 10 CDCERO CC[NH+](CC)CCS(=O)(=O)NCc1ccccc1O ZINC000810049326 1163148686 /nfs/dbraw/zinc/14/86/86/1163148686.db2.gz PCWCLGBJGLWIBN-UHFFFAOYSA-N 1 0 286.397 1.153 10 10 CDCERO Cc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c(O)c1O ZINC001638769844 1166871610 /nfs/dbraw/zinc/87/16/10/1166871610.db2.gz OFJDPIZQMKUVKZ-VXGBXAGGSA-N 1 0 292.379 1.865 10 10 CDCERO CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC001638824410 1166876993 /nfs/dbraw/zinc/87/69/93/1166876993.db2.gz PTKSMARRRFTULQ-CYBMUJFWSA-N 1 0 292.379 1.583 10 10 CDCERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1c(O)cccc1O ZINC001645363402 1167397600 /nfs/dbraw/zinc/39/76/00/1167397600.db2.gz UBXKNVQXLIJZHV-QWRGUYRKSA-N 1 0 278.352 1.587 10 10 CDCERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001653132241 1171508270 /nfs/dbraw/zinc/50/82/70/1171508270.db2.gz CAITYKXKBMFYNN-HZSPNIEDSA-N 1 0 278.396 1.943 10 10 CDCERO CN(C(=O)c1cccc(O)c1O)[C@H]1C[NH+]2CCC1CC2 ZINC000312617391 1186700622 /nfs/dbraw/zinc/70/06/22/1186700622.db2.gz GKITZXBQSXLEEG-LBPRGKRZSA-N 1 0 276.336 1.264 10 10 CDCERO C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)C[NH+](C)C ZINC001617906301 1165612083 /nfs/dbraw/zinc/61/20/83/1165612083.db2.gz WBRDHEBLSKBBKH-NSHDSACASA-N 1 0 294.395 1.733 10 10 CDCERO Cc1cc(C[N@@H+]2CCN(C)[C@@H](CO)C2)ccc1N(C)C 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COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858495127 812741273 /nfs/dbraw/zinc/74/12/73/812741273.db2.gz VKRSEGLJCMBOFB-GUBZILKMSA-N 1 0 264.325 1.315 10 10 CDCERO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1ncn(C)n1 ZINC000843420173 812859516 /nfs/dbraw/zinc/85/95/16/812859516.db2.gz PDRXPZCOBROOBY-UHFFFAOYSA-N 1 0 287.411 1.912 10 10 CDCERO CCc1cccc(C[NH2+]C[C@](C)(CO)OC)c1O ZINC000702528026 812859967 /nfs/dbraw/zinc/85/99/67/812859967.db2.gz KUPDRCHFLNDPOB-CQSZACIVSA-N 1 0 253.342 1.442 10 10 CDCERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000846172949 813037746 /nfs/dbraw/zinc/03/77/46/813037746.db2.gz OBYYAGSPTXAHLZ-MWLCHTKSSA-N 1 0 292.335 1.199 10 10 CDCERO CN1C[C@@H](C[NH2+]Cc2cccc(F)c2[O-])CC1=O ZINC000723583542 813050420 /nfs/dbraw/zinc/05/04/20/813050420.db2.gz USMPTZNSZHWMKX-SECBINFHSA-N 1 0 252.289 1.099 10 10 CDCERO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)ccc2ccncc21 ZINC000844744964 813061221 /nfs/dbraw/zinc/06/12/21/813061221.db2.gz UUVOXPPYJOIEJM-PVUDRZGPSA-N 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UDCWYQIGHCDDFJ-GFCCVEGCSA-N 1 0 263.385 1.709 10 10 CDCERO CNC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826130885 813813322 /nfs/dbraw/zinc/81/33/22/813813322.db2.gz MUBXFBIYHCSBQH-JTQLQIEISA-N 1 0 282.771 1.922 10 10 CDCERO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000846047869 813843850 /nfs/dbraw/zinc/84/38/50/813843850.db2.gz SPNJEYIDPJQOQJ-DTORHVGOSA-N 1 0 268.744 1.708 10 10 CDCERO COc1ccc(O)c([C@H](C)NC(=O)CC2([NH3+])CC2)c1 ZINC000852884624 813886812 /nfs/dbraw/zinc/88/68/12/813886812.db2.gz IEOXBYDRGILQPU-VIFPVBQESA-N 1 0 264.325 1.459 10 10 CDCERO COc1ccc(O)c(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000853247910 813927341 /nfs/dbraw/zinc/92/73/41/813927341.db2.gz FYHOZQZZUCWJDR-VXGBXAGGSA-N 1 0 254.305 1.272 10 10 CDCERO Oc1cc2c(cc1C[NH+]1CC(C3CCOCC3)C1)OCO2 ZINC000800530042 814032659 /nfs/dbraw/zinc/03/26/59/814032659.db2.gz JUJKBGHJODQGIQ-UHFFFAOYSA-N 1 0 291.347 1.979 10 10 CDCERO COc1cccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863484897 814458096 /nfs/dbraw/zinc/45/80/96/814458096.db2.gz PIHJPBPOJQQUTR-ZYHUDNBSSA-N 1 0 250.342 1.631 10 10 CDCERO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000870988103 814687637 /nfs/dbraw/zinc/68/76/37/814687637.db2.gz GJRVZFHLYOMEMT-NWDGAFQWSA-N 1 0 262.353 1.959 10 10 CDCERO COc1cccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1O ZINC000846151346 814691542 /nfs/dbraw/zinc/69/15/42/814691542.db2.gz WQYWGTBJNYAVJK-LRDDRELGSA-N 1 0 295.379 1.841 10 10 CDCERO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cccc(C)c1O ZINC000827489807 816953180 /nfs/dbraw/zinc/95/31/80/816953180.db2.gz VPRZLGZXABIZOB-INIZCTEOSA-N 1 0 293.363 1.855 10 10 CDCERO [NH3+]Cc1ccc2c(c1)CCCN2CCO[C@@H]1CCOC1 ZINC000724935707 817434478 /nfs/dbraw/zinc/43/44/78/817434478.db2.gz IVYBJKGBKCWNMU-OAHLLOKOSA-N 1 0 276.380 1.703 10 10 CDCERO O=S(=O)(CC[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000850364036 817979643 /nfs/dbraw/zinc/97/96/43/817979643.db2.gz PLAQHLBUUXHBKF-UHFFFAOYSA-N 1 0 297.298 1.459 10 10 CDCERO COC[C@@H](CC[NH2+]Cc1cc(C)ccc1O)OC ZINC000694239665 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(F)ccc1O ZINC000843428765 937148752 /nfs/dbraw/zinc/14/87/52/937148752.db2.gz MZAJBSFRCIDNKO-NSHDSACASA-N 1 0 295.358 1.083 10 10 CDCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000850345742 927418488 /nfs/dbraw/zinc/41/84/88/927418488.db2.gz JKNNDMDZTXJQTN-AWEZNQCLSA-N 1 0 284.363 1.854 10 10 CDCERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(OC)c1O ZINC000861674593 929321301 /nfs/dbraw/zinc/32/13/01/929321301.db2.gz QJDUOHKGXLSOFM-NWDGAFQWSA-N 1 0 293.367 1.341 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c(O)c1 ZINC000404171885 940955367 /nfs/dbraw/zinc/95/53/67/940955367.db2.gz OUBOODHCEYWCMG-DOMZBBRYSA-N 1 0 265.353 1.893 10 10 CDCERO CCOc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001473297268 970776294 /nfs/dbraw/zinc/77/62/94/970776294.db2.gz YQCCBKNUVLEXLU-OAHLLOKOSA-N 1 0 276.380 1.996 10 10 CDCERO COc1ccc(CNC(=O)[C@@H](C)CC[NH+](C)C)c(O)c1 ZINC001556354195 965030767 /nfs/dbraw/zinc/03/07/67/965030767.db2.gz BGBAWMRZKMQEGG-NSHDSACASA-N 1 0 280.368 1.605 10 10 CDCERO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001542863938 967251792 /nfs/dbraw/zinc/25/17/92/967251792.db2.gz PJUCEWHLVMCUSM-LBPRGKRZSA-N 1 0 278.352 1.193 10 10 CDCERO COc1ccc(N2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000849350409 969940915 /nfs/dbraw/zinc/94/09/15/969940915.db2.gz OLWQWQTYXAMGDA-CHWSQXEVSA-N 1 0 261.369 1.225 10 10 CDCERO Cc1cc(O)c(C[N@H+]2CCN(C[C@H](C)O)[C@H](C)C2)cc1C ZINC000245748652 361914939 /nfs/dbraw/zinc/91/49/39/361914939.db2.gz NHSKMTACWLYMMY-CABCVRRESA-N 1 0 292.423 1.896 10 10 CDCERO COc1ccc(N(C)CCOC2CC[NH2+]CC2)cc1 ZINC000104382078 185987320 /nfs/dbraw/zinc/98/73/20/185987320.db2.gz XONUIPTUCOSGQJ-UHFFFAOYSA-N 1 0 264.369 1.900 10 10 CDCERO COc1cc(O)c(C[NH2+]C(C)(C)[C@@H](C)O)cc1OC ZINC000271770247 364997835 /nfs/dbraw/zinc/99/78/35/364997835.db2.gz BMRLLZZTVQTXIE-SECBINFHSA-N 1 0 269.341 1.658 10 10 CDCERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(O)c1O ZINC000376594697 391242971 /nfs/dbraw/zinc/24/29/71/391242971.db2.gz GTNNFDIGUUOKHK-UHFFFAOYSA-N 1 0 290.363 1.845 10 10 CDCERO Oc1cc2c(cc1C[NH2+][C@@H]1CCN3CCCC[C@@H]13)OCO2 ZINC000218475221 392975142 /nfs/dbraw/zinc/97/51/42/392975142.db2.gz VSAHOICBHKJUBI-OLZOCXBDSA-N 1 0 290.363 1.837 10 10 CDCERO CCN(C(=O)c1ccccc1CC[NH3+])c1cnn(C)c1 ZINC000655521333 424509032 /nfs/dbraw/zinc/50/90/32/424509032.db2.gz DBCGMBPGFIKZHJ-UHFFFAOYSA-N 1 0 272.352 1.588 10 10 CDCERO C[NH2+]Cc1ccc(N2CCN(C(C)=O)CC2)cc1C ZINC000050581384 522119413 /nfs/dbraw/zinc/11/94/13/522119413.db2.gz SGFUVQZOEPLOSV-UHFFFAOYSA-N 1 0 261.369 1.383 10 10 CDCERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc2c(cc1O)OCO2 ZINC000096810824 525084416 /nfs/dbraw/zinc/08/44/16/525084416.db2.gz CBSCJKFCIUJNEU-DGCLKSJQSA-N 1 0 290.363 1.789 10 10 CDCERO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000769849679 575391771 /nfs/dbraw/zinc/39/17/71/575391771.db2.gz BGLGOUZIJLZRMN-DOMZBBRYSA-N 1 0 289.379 1.062 10 10 CDCERO OCCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000761991856 576610849 /nfs/dbraw/zinc/61/08/49/576610849.db2.gz CXSFHUJOFGUEDJ-UHFFFAOYSA-N 1 0 295.335 1.142 10 10 CDCERO Cc1cc(Cl)cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843058445 618692040 /nfs/dbraw/zinc/69/20/40/618692040.db2.gz SJJMZTQZKJFULH-GXFFZTMASA-N 1 0 284.787 1.902 10 10 CDCERO CC[C@H](C[NH2+]Cc1cc(C)ccc1O)C(=O)OC ZINC000895124335 619319409 /nfs/dbraw/zinc/31/94/09/619319409.db2.gz XGVMTECBWWTJKV-LLVKDONJSA-N 1 0 251.326 1.989 10 10 CDCERO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1O ZINC000895131343 619330148 /nfs/dbraw/zinc/33/01/48/619330148.db2.gz WZUCLEUFFLUDHW-NSHDSACASA-N 1 0 273.336 1.970 10 10 CDCERO C[NH+](C)CCCNC(=S)NCc1c(O)cccc1F ZINC000905660125 626905355 /nfs/dbraw/zinc/90/53/55/626905355.db2.gz DGCCFLMMSKRMRS-UHFFFAOYSA-N 1 0 285.388 1.447 10 10 CDCERO O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000910942557 629124798 /nfs/dbraw/zinc/12/47/98/629124798.db2.gz FGHXPVDXVVMTCS-OCCSQVGLSA-N 1 0 290.363 1.731 10 10 CDCERO CO[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000190915273 1184530141 /nfs/dbraw/zinc/53/01/41/1184530141.db2.gz LPVCAYXYYAWPRW-MNOVXSKESA-N 1 0 265.309 1.778 10 10 CDCERO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1c(O)cccc1F ZINC001638866637 1166880552 /nfs/dbraw/zinc/88/05/52/1166880552.db2.gz HOROOUZNFTUBGL-SNVBAGLBSA-N 1 0 284.306 1.581 10 10 CDCERO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000835028723 818030067 /nfs/dbraw/zinc/03/00/67/818030067.db2.gz KEMIQVIMHNRTLC-NQHOJNORSA-N 1 0 288.395 1.508 10 10 CDCERO COc1cc(O)c(CN[C@@H](C[NH3+])C(F)(F)F)cc1OC ZINC000848714866 818205055 /nfs/dbraw/zinc/20/50/55/818205055.db2.gz VFCANPMQCYBJPT-NSHDSACASA-N 1 0 294.273 1.389 10 10 CDCERO Cc1cc(N(C)C)ccc1CNC(=O)COC1(C)C[NH2+]C1 ZINC000844186787 818443342 /nfs/dbraw/zinc/44/33/42/818443342.db2.gz UUXAJJYGGLLEKN-UHFFFAOYSA-N 1 0 291.395 1.056 10 10 CDCERO COc1cccc(O)c1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000789767778 818447298 /nfs/dbraw/zinc/44/72/98/818447298.db2.gz KMTVYQDFNIZQKJ-HNNXBMFYSA-N 1 0 276.336 1.113 10 10 CDCERO CC(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)[NH+](C)C ZINC000871202880 818493808 /nfs/dbraw/zinc/49/38/08/818493808.db2.gz OBIMUGAIDHQUKT-AWEZNQCLSA-N 1 0 262.353 1.821 10 10 CDCERO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc(F)ccc1O)C2 ZINC000703619836 818551036 /nfs/dbraw/zinc/55/10/36/818551036.db2.gz QXRSVNDTFSWULI-SMDDNHRTSA-N 1 0 250.317 1.573 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716775607 818567351 /nfs/dbraw/zinc/56/73/51/818567351.db2.gz VDOSZUGMNBCMQY-XNWIYYODSA-N 1 0 264.325 1.315 10 10 CDCERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779001966 818595273 /nfs/dbraw/zinc/59/52/73/818595273.db2.gz GCWHAHQBNCBTGY-GFCCVEGCSA-N 1 0 266.316 1.761 10 10 CDCERO COc1cccc(C[NH+]2CCC(OCCCO)CC2)c1O ZINC000093694712 818910617 /nfs/dbraw/zinc/91/06/17/818910617.db2.gz DGUUKNSWWOCTQR-UHFFFAOYSA-N 1 0 295.379 1.764 10 10 CDCERO CC[NH+](CC)Cc1ccc(C(=O)OCC(=O)C(C)=O)cc1 ZINC000808548081 819044263 /nfs/dbraw/zinc/04/42/63/819044263.db2.gz WLNCVANHQYVUHR-UHFFFAOYSA-N 1 0 291.347 1.843 10 10 CDCERO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841891127 819337265 /nfs/dbraw/zinc/33/72/65/819337265.db2.gz JCCVAHZEOVWQPX-VDISTLRHSA-N 1 0 251.326 1.794 10 10 CDCERO COc1ccc(N2CC[C@@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000849350416 819368150 /nfs/dbraw/zinc/36/81/50/819368150.db2.gz OLWQWQTYXAMGDA-QWHCGFSZSA-N 1 0 261.369 1.225 10 10 CDCERO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000846047425 819829222 /nfs/dbraw/zinc/82/92/22/819829222.db2.gz YAXSCHDEJLFTAT-WKFQBHICSA-N 1 0 284.743 1.408 10 10 CDCERO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CNC(=O)C2)cc1 ZINC000922778386 819842780 /nfs/dbraw/zinc/84/27/80/819842780.db2.gz KUTJMVZHLTWCNE-JZIMQPMSSA-N 1 0 287.407 1.882 10 10 CDCERO C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863647735 819874614 /nfs/dbraw/zinc/87/46/14/819874614.db2.gz TTZRVEIEBTYCKV-UHFFFAOYSA-N 1 0 290.766 1.853 10 10 CDCERO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)(C)O ZINC000393965462 819883200 /nfs/dbraw/zinc/88/32/00/819883200.db2.gz 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Cn1cnc(CCC[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000842736373 842803652 /nfs/dbraw/zinc/80/36/52/842803652.db2.gz CDWADENGFQXJIP-UHFFFAOYSA-N 1 0 280.759 1.897 10 10 CDCERO CCc1cccc(C[NH2+]CC(=O)NCc2ccco2)c1O ZINC000848893233 842863714 /nfs/dbraw/zinc/86/37/14/842863714.db2.gz UGHLOUTWSDSJKI-UHFFFAOYSA-N 1 0 288.347 1.954 10 10 CDCERO COc1ccc(N(C)CC[N@H+](C)CC2(O)CCC2)cc1 ZINC000844401027 842899957 /nfs/dbraw/zinc/89/99/57/842899957.db2.gz JYHZYBYHQJREGC-UHFFFAOYSA-N 1 0 278.396 1.978 10 10 CDCERO COC(=O)N(C)CC[N@H+](C)Cc1ccccc1O ZINC000690811653 899684722 /nfs/dbraw/zinc/68/47/22/899684722.db2.gz CSENJLDXLSXAHD-UHFFFAOYSA-N 1 0 252.314 1.522 10 10 CDCERO CN(C)C(=O)C1([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000839632034 936917035 /nfs/dbraw/zinc/91/70/35/936917035.db2.gz FBJIKSHZZIDNCV-UHFFFAOYSA-N 1 0 261.369 1.463 10 10 CDCERO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C ZINC001295829679 954755618 /nfs/dbraw/zinc/75/56/18/954755618.db2.gz UDZNBBIKHJIQRP-NEPJUHHUSA-N 1 0 292.379 1.581 10 10 CDCERO CC[N@H+](CC(=O)NCc1cc(O)ccc1O)C1CC1 ZINC001558174886 965243401 /nfs/dbraw/zinc/24/34/01/965243401.db2.gz BBZUNRZPVLWALQ-UHFFFAOYSA-N 1 0 264.325 1.198 10 10 CDCERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC001529326563 969027556 /nfs/dbraw/zinc/02/75/56/969027556.db2.gz AHMQREBBRSZKRZ-WCQGTBRESA-N 1 0 276.336 1.168 10 10 CDCERO Cc1ccc(O)c(CNC(=O)[C@@H](C)CC[NH+](C)C)c1 ZINC001470256964 970306088 /nfs/dbraw/zinc/30/60/88/970306088.db2.gz CXBQFERQHOUAOF-LBPRGKRZSA-N 1 0 264.369 1.905 10 10 CDCERO CN1CCCc2cc([C@H](C[NH3+])N3CCOCC3)ccc21 ZINC000034936239 356824542 /nfs/dbraw/zinc/82/45/42/356824542.db2.gz XIOLFPXYYHESOR-INIZCTEOSA-N 1 0 275.396 1.401 10 10 CDCERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000374895594 370765742 /nfs/dbraw/zinc/76/57/42/370765742.db2.gz NGPGGKJTAHZLII-WQAKAFBOSA-N 1 0 278.327 1.630 10 10 CDCERO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1OC ZINC000375285697 370802966 /nfs/dbraw/zinc/80/29/66/370802966.db2.gz FFNYXVXFGYATSV-CQSZACIVSA-N 1 0 279.336 1.366 10 10 CDCERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000284169772 368499043 /nfs/dbraw/zinc/49/90/43/368499043.db2.gz WWZIFJZBWJJVFW-GOEBONIOSA-N 1 0 293.407 1.869 10 10 CDCERO COc1ccc(N2CCN(c3cc[nH+]cc3N)CC2)cc1 ZINC000003634596 373667934 /nfs/dbraw/zinc/66/79/34/373667934.db2.gz YJFIEQCODBNRMQ-UHFFFAOYSA-N 1 0 284.363 1.999 10 10 CDCERO CN1CCO[C@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)C[C@H]21 ZINC000230226780 375542843 /nfs/dbraw/zinc/54/28/43/375542843.db2.gz YRYGUUHDNRCLRL-WBVHZDCISA-N 1 0 288.391 1.396 10 10 CDCERO CC(C)N(c1ccc(C[NH3+])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000038084743 174095050 /nfs/dbraw/zinc/09/50/50/174095050.db2.gz KMCCWYXVRJUWPP-AWEZNQCLSA-N 1 0 282.409 1.547 10 10 CDCERO COc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000077900267 260167342 /nfs/dbraw/zinc/16/73/42/260167342.db2.gz KZVSGNMMKMYAIA-LLVKDONJSA-N 1 0 264.325 1.111 10 10 CDCERO Cc1ccc(O)c(C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000363883756 262000832 /nfs/dbraw/zinc/00/08/32/262000832.db2.gz DNKUCRZOFHICAE-CQSZACIVSA-N 1 0 262.353 1.217 10 10 CDCERO Nc1ccc(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000371245938 267377638 /nfs/dbraw/zinc/37/76/38/267377638.db2.gz ZOCUGGOTVKIJHM-GOEBONIOSA-N 1 0 287.407 1.802 10 10 CDCERO COC[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)OC ZINC000230672204 333320531 /nfs/dbraw/zinc/32/05/31/333320531.db2.gz WLDKQKAHHFOAAD-PWSUYJOCSA-N 1 0 269.341 1.713 10 10 CDCERO Oc1cc2c(cc1C[NH2+]C[C@@H]1[C@H]3COC[C@H]31)OCO2 ZINC000368610913 335942533 /nfs/dbraw/zinc/94/25/33/335942533.db2.gz BOEFZXQPYYRBDJ-RTCCRHLQSA-N 1 0 263.293 1.103 10 10 CDCERO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000071267954 522422539 /nfs/dbraw/zinc/42/25/39/522422539.db2.gz CQSPSABOYXBIHX-RISCZKNCSA-N 1 0 252.358 1.411 10 10 CDCERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000263770375 523849434 /nfs/dbraw/zinc/84/94/34/523849434.db2.gz TUGSCNKBPMCCRZ-LBPRGKRZSA-N 1 0 263.341 1.286 10 10 CDCERO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(F)ccc1O ZINC000094618043 525608678 /nfs/dbraw/zinc/60/86/78/525608678.db2.gz SAOLLOJTCPLYOU-KWQFWETISA-N 1 0 252.289 1.461 10 10 CDCERO CCOc1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(O)c1 ZINC000770378235 575442590 /nfs/dbraw/zinc/44/25/90/575442590.db2.gz GCORNMPBCYHVGV-LLVKDONJSA-N 1 0 279.340 1.034 10 10 CDCERO COc1ccc(N2CCC[N@@H+]([C@H]3CCOC3)CC2)cc1 ZINC000770508665 575458097 /nfs/dbraw/zinc/45/80/97/575458097.db2.gz CWQCKNRYEWURQU-HNNXBMFYSA-N 1 0 276.380 1.996 10 10 CDCERO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756103382 575745171 /nfs/dbraw/zinc/74/51/71/575745171.db2.gz RVSKRQXJJHMOJL-YOEHRIQHSA-N 1 0 289.423 1.563 10 10 CDCERO COc1cc(C[N@@H+]2CCNC(=O)CC2)c(O)cc1C ZINC000768452155 576285205 /nfs/dbraw/zinc/28/52/05/576285205.db2.gz PNZXWXOSYIFKSB-UHFFFAOYSA-N 1 0 264.325 1.031 10 10 CDCERO CCN(CC(=O)OC)Cc1c(O)cccc1OC ZINC000769317423 576345167 /nfs/dbraw/zinc/34/51/67/576345167.db2.gz PIKJWXRNCNMRAW-UHFFFAOYSA-N 1 0 253.298 1.396 10 10 CDCERO COC(=O)[C@@H](CC1CCOCC1)NCc1ccccc1O ZINC000895588955 619741995 /nfs/dbraw/zinc/74/19/95/619741995.db2.gz BRALNBVLBILRDA-CQSZACIVSA-N 1 0 293.363 1.840 10 10 CDCERO CCO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)CN(C)C ZINC000926963500 621634011 /nfs/dbraw/zinc/63/40/11/621634011.db2.gz UOUDIGXRFLFCEA-KGLIPLIRSA-N 1 0 278.396 1.936 10 10 CDCERO C[C@@H](CC[NH+](C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC001636231165 1166664458 /nfs/dbraw/zinc/66/44/58/1166664458.db2.gz UADBBSNBGBKCGY-NSHDSACASA-N 1 0 262.353 1.822 10 10 CDCERO CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1O ZINC000700209905 844030514 /nfs/dbraw/zinc/03/05/14/844030514.db2.gz MHMIJKHOTRADDN-TZMCWYRMSA-N 1 0 264.369 1.764 10 10 CDCERO COC[C@]1(C)C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000863342933 844052158 /nfs/dbraw/zinc/05/21/58/844052158.db2.gz NLEAWMQLCGPSQK-INIZCTEOSA-N 1 0 295.379 1.947 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c(O)c1C ZINC000858523344 844223638 /nfs/dbraw/zinc/22/36/38/844223638.db2.gz PTTNWPVVPWXVAH-KGLIPLIRSA-N 1 0 278.396 1.990 10 10 CDCERO C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccccc1O ZINC000870988081 844253478 /nfs/dbraw/zinc/25/34/78/844253478.db2.gz FWWTUPFGTURDHP-JVLSTEMRSA-N 1 0 260.337 1.569 10 10 CDCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000706789157 844487625 /nfs/dbraw/zinc/48/76/25/844487625.db2.gz JHNQXBFXVBPIBO-HOTGVXAUSA-N 1 0 278.396 1.772 10 10 CDCERO CN(C)c1ccc(C[NH2+]CCc2cn(C)cn2)cc1F ZINC000839148910 844504115 /nfs/dbraw/zinc/50/41/15/844504115.db2.gz NXNQJVNXWRGPCP-UHFFFAOYSA-N 1 0 276.359 1.958 10 10 CDCERO Cc1cc(O)c(C[NH2+]C[C@H]2COCCN2C)cc1Cl ZINC000862508092 844530043 /nfs/dbraw/zinc/53/00/43/844530043.db2.gz JDGBQAUHDMFJST-LBPRGKRZSA-N 1 0 284.787 1.774 10 10 CDCERO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(C)CC3)C2)cc1 ZINC000850345960 844549897 /nfs/dbraw/zinc/54/98/97/844549897.db2.gz OVWJRLAHUIFGKK-OAHLLOKOSA-N 1 0 289.423 1.958 10 10 CDCERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccccc2O)n1 ZINC000858327705 843107130 /nfs/dbraw/zinc/10/71/30/843107130.db2.gz XAYIEOQJFKJBSZ-WCQYABFASA-N 1 0 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XVPSKQXCUSALTM-ZDUSSCGKSA-N 1 0 269.348 1.992 10 10 CDCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000271335992 391293727 /nfs/dbraw/zinc/29/37/27/391293727.db2.gz NTZDPZHTTWGSHA-NSHDSACASA-N 1 0 279.340 1.034 10 10 CDCERO CCOc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000364447499 391367214 /nfs/dbraw/zinc/36/72/14/391367214.db2.gz MABWWZHXAONKKF-ZDUSSCGKSA-N 1 0 263.337 1.748 10 10 CDCERO C[NH2+]Cc1ccc(N2CCN(C(C)=O)CC2)c(F)c1 ZINC000034823907 134781896 /nfs/dbraw/zinc/78/18/96/134781896.db2.gz MCGSQVQXEBWDRQ-UHFFFAOYSA-N 1 0 265.332 1.214 10 10 CDCERO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(O)ccc1O ZINC000038047132 174057230 /nfs/dbraw/zinc/05/72/30/174057230.db2.gz AHPSNZAPKLMIOB-SECBINFHSA-N 1 0 273.354 1.183 10 10 CDCERO Cc1ccc(O)c(C[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000071407938 176156133 /nfs/dbraw/zinc/15/61/33/176156133.db2.gz MUQYHUHYUNMTBL-UHFFFAOYSA-N 1 0 262.353 1.834 10 10 CDCERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000091666858 260266348 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ZINC000050561749 522120129 /nfs/dbraw/zinc/12/01/29/522120129.db2.gz RYSPITAEGOKTIU-UHFFFAOYSA-N 1 0 252.383 1.283 10 10 CDCERO C[C@H]1CN(Cc2cccc(F)c2O)C[C@H]1[NH+](C)C ZINC000252765017 524626526 /nfs/dbraw/zinc/62/65/26/524626526.db2.gz GGTJJTDLWZMQGO-GXFFZTMASA-N 1 0 252.333 1.913 10 10 CDCERO OC[C@@H]([NH2+]Cc1ccc(O)cc1O)c1ccccc1 ZINC000062999539 527581677 /nfs/dbraw/zinc/58/16/77/527581677.db2.gz QITFHEGZVJMTIH-CQSZACIVSA-N 1 0 259.305 1.921 10 10 CDCERO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000765328674 576008987 /nfs/dbraw/zinc/00/89/87/576008987.db2.gz HAWWMEHTXYUVQG-DZGCQCFKSA-N 1 0 276.380 1.963 10 10 CDCERO CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC)c(O)c1 ZINC000768906854 576316979 /nfs/dbraw/zinc/31/69/79/576316979.db2.gz QROQGSQYCHWGAW-ZDUSSCGKSA-N 1 0 278.352 1.501 10 10 CDCERO CC[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccccc1O ZINC000903279947 625951544 /nfs/dbraw/zinc/95/15/44/625951544.db2.gz MDIIJDIYNAERJB-GOEBONIOSA-N 1 0 294.395 1.126 10 10 CDCERO C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000903967407 626172413 /nfs/dbraw/zinc/17/24/13/626172413.db2.gz JCWNELHVHGZAIP-KOLCDFICSA-N 1 0 254.761 1.991 10 10 CDCERO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(N2CCOCC2)cc1 ZINC000151715112 630733950 /nfs/dbraw/zinc/73/39/50/630733950.db2.gz WLCUWCQKHHSZLH-UONOGXRCSA-N 1 0 278.396 1.802 10 10 CDCERO CC[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000913894710 630867570 /nfs/dbraw/zinc/86/75/70/630867570.db2.gz YOXYCTSWHVHEPU-UHFFFAOYSA-N 1 0 295.358 1.815 10 10 CDCERO CCN1CC[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001631543227 1166285657 /nfs/dbraw/zinc/28/56/57/1166285657.db2.gz QTSWTXKZSIPYRT-GWCFXTLKSA-N 1 0 278.352 1.672 10 10 CDCERO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c(O)c1 ZINC000135215837 1175822513 /nfs/dbraw/zinc/82/25/13/1175822513.db2.gz UYKMURRTGMSKHS-ZYHUDNBSSA-N 1 0 251.326 1.915 10 10 CDCERO COc1ccc(C[NH2+]CCN2CCCS2(=O)=O)cc1C ZINC000237138148 1178559701 /nfs/dbraw/zinc/55/97/01/1178559701.db2.gz VZBVGTFPLRUHMX-UHFFFAOYSA-N 1 0 298.408 1.129 10 10 CDCERO COC[C@@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000802310765 697776145 /nfs/dbraw/zinc/77/61/45/697776145.db2.gz VYIXYZHNQVHVBZ-QXEWZRGKSA-N 1 0 269.316 1.677 10 10 CDCERO Cn1nccc1[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000927133024 697815265 /nfs/dbraw/zinc/81/52/65/697815265.db2.gz XSDDEFGAWOMMKY-FZMZJTMJSA-N 1 0 273.336 1.436 10 10 CDCERO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849009324 697828812 /nfs/dbraw/zinc/82/88/12/697828812.db2.gz VHSWYHHKFPNAPY-CYBMUJFWSA-N 1 0 290.411 1.806 10 10 CDCERO CCO[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000844903315 697970524 /nfs/dbraw/zinc/97/05/24/697970524.db2.gz AVGSOZJQGSMNQD-DGCLKSJQSA-N 1 0 284.787 1.841 10 10 CDCERO COC[C@H](CC[NH2+]Cc1c(O)cccc1OC)OC ZINC000850344988 698033694 /nfs/dbraw/zinc/03/36/94/698033694.db2.gz FEOBFUGKBAKELU-NSHDSACASA-N 1 0 269.341 1.542 10 10 CDCERO CN1CCCc2cc(CNC(=O)C[C@H]3CC[NH2+]C3)ccc21 ZINC000130587102 698053457 /nfs/dbraw/zinc/05/34/57/698053457.db2.gz HQWOBNNGLWHRGC-CQSZACIVSA-N 1 0 287.407 1.685 10 10 CDCERO CN(Cc1ccccc1O)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129665102 698054087 /nfs/dbraw/zinc/05/40/87/698054087.db2.gz SDCMZSYNVFSVKB-UHFFFAOYSA-N 1 0 291.395 1.034 10 10 CDCERO COc1ccc(N2CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)C2)cc1 ZINC000852844322 698067370 /nfs/dbraw/zinc/06/73/70/698067370.db2.gz SRMJPVCZECHKNR-SWLSCSKDSA-N 1 0 291.395 1.373 10 10 CDCERO CN(C)c1ccc(/C=C\C[NH2+]CCCS(C)(=O)=O)cc1 ZINC000835036873 698199552 /nfs/dbraw/zinc/19/95/52/698199552.db2.gz GELFHLCHNXDDQC-XQRVVYSFSA-N 1 0 296.436 1.790 10 10 CDCERO Cc1ccc(C(=O)N(C)CCC[NH+](C)C)c(O)c1O ZINC000781014580 698281518 /nfs/dbraw/zinc/28/15/18/698281518.db2.gz REUMFKHDHUTBGB-UHFFFAOYSA-N 1 0 266.341 1.430 10 10 CDCERO Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1O ZINC000839179346 698395005 /nfs/dbraw/zinc/39/50/05/698395005.db2.gz LWVYOGLFUUCEFR-GFCCVEGCSA-N 1 0 296.758 1.096 10 10 CDCERO CCOc1ccc(C[NH+]2CC(C)(C(N)=O)C2)c(O)c1 ZINC000843416057 698425462 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C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000796488514 705069359 /nfs/dbraw/zinc/06/93/59/705069359.db2.gz DONDLXKVAWICLW-LBPRGKRZSA-N 1 0 296.436 1.808 10 10 CDCERO C[N@@H+]1C[C@H]2CCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000814174092 705124426 /nfs/dbraw/zinc/12/44/26/705124426.db2.gz YISCZGUJQCAFKC-ZWNOBZJWSA-N 1 0 250.317 1.667 10 10 CDCERO CC[C@@H]([NH2+][C@H]1CNOC1)c1cc(Cl)ccc1O ZINC000925868969 705143972 /nfs/dbraw/zinc/14/39/72/705143972.db2.gz HOPYFRMUOHIGRZ-GXSJLCMTSA-N 1 0 256.733 1.990 10 10 CDCERO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN(C)C2=O)cc1 ZINC000835043330 705283406 /nfs/dbraw/zinc/28/34/06/705283406.db2.gz OXDXEKHERCUYOK-MQDFFIGUSA-N 1 0 287.407 1.976 10 10 CDCERO C[C@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)ccc1O ZINC000850481272 705299711 /nfs/dbraw/zinc/29/97/11/705299711.db2.gz IMNFCMQTZRDUQN-XVKPBYJWSA-N 1 0 299.168 1.694 10 10 CDCERO COc1cc([N+](=O)[O-])c(N2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000213711868 848514398 /nfs/dbraw/zinc/51/43/98/848514398.db2.gz KRBKVHWTVWRCMB-VHSXEESVSA-N 1 0 295.339 1.786 10 10 CDCERO CN(C)c1ccc(/C=C/C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000835048690 848712343 /nfs/dbraw/zinc/71/23/43/848712343.db2.gz XSKMKWWRQYGGBL-CWDCEQMOSA-N 1 0 276.380 1.507 10 10 CDCERO Cc1cccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000843429139 848767614 /nfs/dbraw/zinc/76/76/14/848767614.db2.gz WFWVZBKNKWLIHR-MRXNPFEDSA-N 1 0 279.380 1.968 10 10 CDCERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)ccc1O ZINC000818361579 848807598 /nfs/dbraw/zinc/80/75/98/848807598.db2.gz LPWLTMVRVWLSKD-KWQFWETISA-N 1 0 296.754 1.844 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c(O)c1 ZINC000090026581 848820261 /nfs/dbraw/zinc/82/02/61/848820261.db2.gz FZYACEFJGMJLIA-ZYHUDNBSSA-N 1 0 276.336 1.499 10 10 CDCERO COCC[C@@H](COC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000811517184 848839584 /nfs/dbraw/zinc/83/95/84/848839584.db2.gz KKXRLSBVAFAMHB-LBPRGKRZSA-N 1 0 299.367 1.551 10 10 CDCERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(F)ccc1O ZINC000185778554 849070274 /nfs/dbraw/zinc/07/02/74/849070274.db2.gz QJANDNKCBHJAAT-ABAIWWIYSA-N 1 0 283.343 1.971 10 10 CDCERO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000858494827 849256428 /nfs/dbraw/zinc/25/64/28/849256428.db2.gz ONBLXHMTYRUYBT-TURQNECASA-N 1 0 278.327 1.933 10 10 CDCERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181047277 849370063 /nfs/dbraw/zinc/37/00/63/849370063.db2.gz OCHIFLXBCPPPEJ-STMXVASLSA-N 1 0 290.363 1.712 10 10 CDCERO COc1cc(C)cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000184289133 849372709 /nfs/dbraw/zinc/37/27/09/849372709.db2.gz OFKGMFFSANBANX-MRXNPFEDSA-N 1 0 293.363 1.701 10 10 CDCERO CCc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000709429075 849595497 /nfs/dbraw/zinc/59/54/97/849595497.db2.gz UBPHFYSWACCVPZ-CYBMUJFWSA-N 1 0 262.353 1.665 10 10 CDCERO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(F)ccc1O ZINC000714246717 849614231 /nfs/dbraw/zinc/61/42/31/849614231.db2.gz BQOCZORHGOCCGS-LSJOCFKGSA-N 1 0 287.356 1.758 10 10 CDCERO COc1cccc([C@@H](C)[NH2+]C2COCCOC2)c1O ZINC000846170262 849631602 /nfs/dbraw/zinc/63/16/02/849631602.db2.gz MZROOXIQSQOURC-SNVBAGLBSA-N 1 0 267.325 1.467 10 10 CDCERO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000858493596 849660524 /nfs/dbraw/zinc/66/05/24/849660524.db2.gz ACCPBTLSTNHGGI-DRZSPHRISA-N 1 0 261.369 1.667 10 10 CDCERO CNC(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000398583718 849675248 /nfs/dbraw/zinc/67/52/48/849675248.db2.gz PZFLTGXGRUQPHY-JTQLQIEISA-N 1 0 294.326 1.302 10 10 CDCERO C[C@@H]1C[NH+](Cc2cc(F)ccc2O)C[C@@H](C)C1O ZINC000827151805 849732668 /nfs/dbraw/zinc/73/26/68/849732668.db2.gz KCNWBGCAIJEZCA-NXEZZACHSA-N 1 0 253.317 1.980 10 10 CDCERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093739995 849788369 /nfs/dbraw/zinc/78/83/69/849788369.db2.gz IGJARQJGEXENRU-AWEZNQCLSA-N 1 0 298.814 1.934 10 10 CDCERO C[C@@H]([NH2+]C1COCCOC1)c1cc(F)ccc1O ZINC000310871346 850008266 /nfs/dbraw/zinc/00/82/66/850008266.db2.gz UFFTXOFDJMYBJT-SECBINFHSA-N 1 0 255.289 1.597 10 10 CDCERO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000866412899 850138840 /nfs/dbraw/zinc/13/88/40/850138840.db2.gz NJNGVOPPZKYWOQ-KBPBESRZSA-N 1 0 290.407 1.814 10 10 CDCERO CCc1cccc(C[N@@H+]2CCC(CO)(CO)C2)c1O ZINC000827474599 850315176 /nfs/dbraw/zinc/31/51/76/850315176.db2.gz GBJPCYQVUKJSOY-UHFFFAOYSA-N 1 0 265.353 1.131 10 10 CDCERO COC[C@](C)(O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169682 850341462 /nfs/dbraw/zinc/34/14/62/850341462.db2.gz JZYNVERNUVGZQV-IAQYHMDHSA-N 1 0 283.368 1.839 10 10 CDCERO CCOc1cccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000690730820 896550624 /nfs/dbraw/zinc/55/06/24/896550624.db2.gz GJRGOHIPQCQEMV-LLVKDONJSA-N 1 0 279.340 1.034 10 10 CDCERO COCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482247028 904158261 /nfs/dbraw/zinc/15/82/61/904158261.db2.gz HHSCSQUKMCXINT-CYBMUJFWSA-N 1 0 294.395 1.587 10 10 CDCERO O=C(Cc1ccc(O)c(O)c1)NC1CC[NH+](C2CC2)CC1 ZINC001440800268 964189242 /nfs/dbraw/zinc/18/92/42/964189242.db2.gz XCGCHLSQCKUYTO-UHFFFAOYSA-N 1 0 290.363 1.383 10 10 CDCERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001558534552 965311139 /nfs/dbraw/zinc/31/11/39/965311139.db2.gz UMAHCQQPQBWQDY-NWDGAFQWSA-N 1 0 292.379 1.834 10 10 CDCERO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001463725660 969747612 /nfs/dbraw/zinc/74/76/12/969747612.db2.gz NBTLAXDUMJBPDI-ZDUSSCGKSA-N 1 0 277.412 1.957 10 10 CDCERO O=C1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)N1 ZINC000227659554 539094923 /nfs/dbraw/zinc/09/49/23/539094923.db2.gz CKRVJKQGAXZMGW-JTQLQIEISA-N 1 0 299.168 1.523 10 10 CDCERO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCCO1 ZINC000042879603 358983942 /nfs/dbraw/zinc/98/39/42/358983942.db2.gz JNJKVWLTIOCURF-SKDRFNHKSA-N 1 0 265.309 1.778 10 10 CDCERO Cc1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)ccc1N(C)C ZINC000293680179 370744813 /nfs/dbraw/zinc/74/48/13/370744813.db2.gz AYZNWUOCBQBPEO-CYBMUJFWSA-N 1 0 276.384 1.304 10 10 CDCERO Cc1noc(CC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000297134424 371452253 /nfs/dbraw/zinc/45/22/53/371452253.db2.gz ZBJOKNXBEQOOQX-LLVKDONJSA-N 1 0 259.309 1.903 10 10 CDCERO COCCN1CCC[N@H+](Cc2cc(C)ccc2O)CC1=O ZINC000191696193 373546028 /nfs/dbraw/zinc/54/60/28/373546028.db2.gz ILJMFIXSYFFOLW-UHFFFAOYSA-N 1 0 292.379 1.381 10 10 CDCERO Oc1cc2c(cc1CN1CC[N@@H+]3CCC[C@@H]3C1)OCO2 ZINC000096810814 391202243 /nfs/dbraw/zinc/20/22/43/391202243.db2.gz IUTPTBDFKXKKAJ-GFCCVEGCSA-N 1 0 276.336 1.401 10 10 CDCERO C[NH2+]Cc1ccc(N2CCC(CC(N)=O)CC2)cc1 ZINC000042438292 134894052 /nfs/dbraw/zinc/89/40/52/134894052.db2.gz HUQXUSYIZACVDW-UHFFFAOYSA-N 1 0 261.369 1.498 10 10 CDCERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(C)ccc1O ZINC000071407960 176156304 /nfs/dbraw/zinc/15/63/04/176156304.db2.gz WFOQJHXXLABGLG-ZDUSSCGKSA-N 1 0 264.369 1.951 10 10 CDCERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000161153658 261238314 /nfs/dbraw/zinc/23/83/14/261238314.db2.gz PSHXWTAFTMHDRE-MRVPVSSYSA-N 1 0 253.298 1.370 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 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C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccccc1O ZINC000825130420 931491675 /nfs/dbraw/zinc/49/16/75/931491675.db2.gz XVUUEMUDINOLRY-WCQYABFASA-N 1 0 251.326 1.364 10 10 CDCERO COc1cccc(CNC(=O)NCCC2(C[NH3+])CC2)c1O ZINC000846188789 931990953 /nfs/dbraw/zinc/99/09/53/931990953.db2.gz JESBRLATKJCSSB-UHFFFAOYSA-N 1 0 293.367 1.329 10 10 CDCERO CC[C@H]([NH2+][C@H]1CNOC1)c1cc(Cl)ccc1O ZINC000925868970 932948005 /nfs/dbraw/zinc/94/80/05/932948005.db2.gz HOPYFRMUOHIGRZ-ONGXEEELSA-N 1 0 256.733 1.990 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(COC3)O2)c1 ZINC000930216190 933338189 /nfs/dbraw/zinc/33/81/89/933338189.db2.gz ALJBXNVFQBDVCI-AAEUAGOBSA-N 1 0 293.363 1.999 10 10 CDCERO OCC[C@H]1CSCC[N@@H+]1Cc1ccccc1O ZINC000779027791 934351320 /nfs/dbraw/zinc/35/13/20/934351320.db2.gz CLJLAXNOQLXOSB-LBPRGKRZSA-N 1 0 253.367 1.692 10 10 CDCERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC001557085464 965142849 /nfs/dbraw/zinc/14/28/49/965142849.db2.gz MQEAYDZOXWZFSM-DGCLKSJQSA-N 1 0 292.379 1.834 10 10 CDCERO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001558689102 965337464 /nfs/dbraw/zinc/33/74/64/965337464.db2.gz JQMVVLSYAPVLSV-GFCCVEGCSA-N 1 0 278.352 1.241 10 10 CDCERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1c(O)cccc1O ZINC001456232729 968910813 /nfs/dbraw/zinc/91/08/13/968910813.db2.gz AWQHAYZSFNFUEZ-JTQLQIEISA-N 1 0 280.368 1.881 10 10 CDCERO C[C@H]([NH2+]CCO)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000020551005 356547432 /nfs/dbraw/zinc/54/74/32/356547432.db2.gz LYMKCAWEUWKGIH-LBPRGKRZSA-N 1 0 281.375 1.220 10 10 CDCERO C[NH+](C)C[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272378080 365213174 /nfs/dbraw/zinc/21/31/74/365213174.db2.gz FGVKMCGZHSAYJC-STMXVASLSA-N 1 0 290.363 1.664 10 10 CDCERO Oc1ccc(F)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530176634 368146950 /nfs/dbraw/zinc/14/69/50/368146950.db2.gz DRUWFEHCIONGKU-ZDUSSCGKSA-N 1 0 250.317 1.906 10 10 CDCERO COc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000371405380 370274350 /nfs/dbraw/zinc/27/43/50/370274350.db2.gz 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CCN(C)c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1 ZINC001655117310 1171669024 /nfs/dbraw/zinc/66/90/24/1171669024.db2.gz VSPJHICXROIKIN-CVEARBPZSA-N 1 0 292.423 1.565 10 10 CDCERO CC[C@H](CO)[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000180518960 357274249 /nfs/dbraw/zinc/27/42/49/357274249.db2.gz NUZNKUJVLXPSIR-OAHLLOKOSA-N 1 0 278.396 1.589 10 10 CDCERO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)CO)c1O ZINC000134981495 375668253 /nfs/dbraw/zinc/66/82/53/375668253.db2.gz AYUBOPXQBRDELU-GHMZBOCLSA-N 1 0 253.342 1.897 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000019900144 170912305 /nfs/dbraw/zinc/91/23/05/170912305.db2.gz ZSNPYBFNYGAVMX-VHSXEESVSA-N 1 0 285.365 1.239 10 10 CDCERO CN1CC[NH+](CCCC(=O)Nc2ccc(N)cc2)CC1 ZINC000022153411 171360667 /nfs/dbraw/zinc/36/06/67/171360667.db2.gz VNNXRJDTQTWUIH-UHFFFAOYSA-N 1 0 276.384 1.235 10 10 CDCERO COc1ccc(N(C)C[C@H](O)CC[NH3+])cc1Cl ZINC000076317438 176983815 /nfs/dbraw/zinc/98/38/15/176983815.db2.gz PYSMHQFTRXDFKL-SNVBAGLBSA-N 1 0 258.749 1.495 10 10 CDCERO O=C1C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]2CCCCN12 ZINC000373019232 327687187 /nfs/dbraw/zinc/68/71/87/327687187.db2.gz GEOOLKDKFUZAQZ-OLZOCXBDSA-N 1 0 260.337 1.635 10 10 CDCERO C[NH+]1CCN(CCC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000164936157 331305410 /nfs/dbraw/zinc/30/54/10/331305410.db2.gz ABKUZSBUPRZESH-UHFFFAOYSA-N 1 0 281.375 1.258 10 10 CDCERO COc1ccc(O)c(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000228120833 333295045 /nfs/dbraw/zinc/29/50/45/333295045.db2.gz BSCXGRNGVGJFAA-BXUZGUMPSA-N 1 0 264.369 1.783 10 10 CDCERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccccc1O ZINC000280914293 520855566 /nfs/dbraw/zinc/85/55/66/520855566.db2.gz UREXGZBBRGGHPV-GFCCVEGCSA-N 1 0 279.384 1.922 10 10 CDCERO COc1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1C ZINC000527757369 538446870 /nfs/dbraw/zinc/44/68/70/538446870.db2.gz DUBOLQSXVNFLRR-HIFRSBDPSA-N 1 0 265.353 1.633 10 10 CDCERO COc1cccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000770388468 575444358 /nfs/dbraw/zinc/44/43/58/575444358.db2.gz 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ZINC000364448267 282289820 /nfs/dbraw/zinc/28/98/20/282289820.db2.gz PMJBBYOREKXRCX-AWEZNQCLSA-N 1 0 264.344 1.848 10 10 CDCERO CC[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1C[C@@H](C)O ZINC000180099523 357243676 /nfs/dbraw/zinc/24/36/76/357243676.db2.gz YNNKWRFJVJRGQE-IUODEOHRSA-N 1 0 296.386 1.808 10 10 CDCERO O=C1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)N1 ZINC000079927562 538838969 /nfs/dbraw/zinc/83/89/69/538838969.db2.gz PEDGLZFQGXVNDO-JTQLQIEISA-N 1 0 254.717 1.414 10 10 CDCERO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000367658837 358092679 /nfs/dbraw/zinc/09/26/79/358092679.db2.gz QOJOPUDZHGCLIX-GFCCVEGCSA-N 1 0 284.363 1.974 10 10 CDCERO COc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1O ZINC000282500560 364127367 /nfs/dbraw/zinc/12/73/67/364127367.db2.gz WPNFMINNEVSAPY-ONGXEEELSA-N 1 0 264.325 1.158 10 10 CDCERO COc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000271248216 364978148 /nfs/dbraw/zinc/97/81/48/364978148.db2.gz DGJMKQNGRZFSQJ-CYBMUJFWSA-N 1 0 280.343 1.745 10 10 CDCERO NC(=O)N[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271404918 364982768 /nfs/dbraw/zinc/98/27/68/364982768.db2.gz WKQADAHIMONYFV-QMMMGPOBSA-N 1 0 269.732 1.288 10 10 CDCERO COc1ccc(O)c(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000131468847 390869339 /nfs/dbraw/zinc/86/93/39/390869339.db2.gz BSCXGRNGVGJFAA-RISCZKNCSA-N 1 0 264.369 1.783 10 10 CDCERO CCOc1ccc(O)c(C[NH2+][C@](C)(CCO)COC)c1 ZINC000175850691 391141817 /nfs/dbraw/zinc/14/18/17/391141817.db2.gz ULSPEKHIMIVYMI-OAHLLOKOSA-N 1 0 283.368 1.668 10 10 CDCERO CCOc1cccc(C[NH2+][C@](C)(CCO)COC)c1O ZINC000175855804 391141905 /nfs/dbraw/zinc/14/19/05/391141905.db2.gz ZCCUXKMSGUVATG-OAHLLOKOSA-N 1 0 283.368 1.668 10 10 CDCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1O ZINC000193127852 287224158 /nfs/dbraw/zinc/22/41/58/287224158.db2.gz BLEKUNSKZAJKPW-VXGBXAGGSA-N 1 0 290.363 1.797 10 10 CDCERO COc1ccc([C@@H]([NH2+]CC(N)=O)c2ccccc2)c(O)c1 ZINC000021964506 171343447 /nfs/dbraw/zinc/34/34/47/171343447.db2.gz FYRTUYMFAJLING-INIZCTEOSA-N 1 0 286.331 1.565 10 10 CDCERO C[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000035775085 172410439 /nfs/dbraw/zinc/41/04/39/172410439.db2.gz HVJMYPBFXIGLLX-WFASDCNBSA-N 1 0 263.385 1.473 10 10 CDCERO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(O)cc1O ZINC000038082701 174092100 /nfs/dbraw/zinc/09/21/00/174092100.db2.gz YRXVYXPSWPIRPI-VHSXEESVSA-N 1 0 285.365 1.183 10 10 CDCERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccccc3O)[C@H]2C1 ZINC000293738911 263148415 /nfs/dbraw/zinc/14/84/15/263148415.db2.gz VNTSUSVQSLPBFQ-GOEBONIOSA-N 1 0 276.380 1.687 10 10 CDCERO Nc1ccc(CC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000368450935 267174338 /nfs/dbraw/zinc/17/43/38/267174338.db2.gz NSUKYIDFXCVRNF-UHFFFAOYSA-N 1 0 275.396 1.979 10 10 CDCERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000377837149 329030980 /nfs/dbraw/zinc/03/09/80/329030980.db2.gz JODOQFIUUAXIGV-BYCMXARLSA-N 1 0 286.375 1.720 10 10 CDCERO COc1ccc(N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)cc1 ZINC000378193826 329042922 /nfs/dbraw/zinc/04/29/22/329042922.db2.gz UXSLMTBERDPFCF-OAHLLOKOSA-N 1 0 289.379 1.096 10 10 CDCERO COc1c(O)c(C[NH2+]Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000278829060 521880191 /nfs/dbraw/zinc/88/01/91/521880191.db2.gz ILNDKANIAFQUMC-UHFFFAOYSA-N 1 0 292.295 1.332 10 10 CDCERO COCCN(C)CC[NH2+]Cc1ccc(OC)cc1O ZINC000061377792 523608729 /nfs/dbraw/zinc/60/87/29/523608729.db2.gz HLYPJQMTOIFHGO-UHFFFAOYSA-N 1 0 268.357 1.069 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000084062245 524774833 /nfs/dbraw/zinc/77/48/33/524774833.db2.gz UMFUXFRTARFCRF-QWRGUYRKSA-N 1 0 278.352 1.672 10 10 CDCERO COc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000277728240 526035333 /nfs/dbraw/zinc/03/53/33/526035333.db2.gz JKUSDUBFFOHONX-ZYHUDNBSSA-N 1 0 251.326 1.915 10 10 CDCERO Oc1cccc(C[NH2+]CCN2CCCCC2)c1O ZINC000049575030 526358834 /nfs/dbraw/zinc/35/88/34/526358834.db2.gz DCBUGGLUKHCIKI-UHFFFAOYSA-N 1 0 250.342 1.673 10 10 CDCERO CC[N@@H+]1CC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000746687156 576789323 /nfs/dbraw/zinc/78/93/23/576789323.db2.gz ZOGWMPGLCYPORF-VIFPVBQESA-N 1 0 254.355 1.525 10 10 CDCERO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCNC1=O ZINC000758395981 577104715 /nfs/dbraw/zinc/10/47/15/577104715.db2.gz ARJCBYLNUCDTLY-CYBMUJFWSA-N 1 0 260.337 1.201 10 10 CDCERO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000842001787 620737970 /nfs/dbraw/zinc/73/79/70/620737970.db2.gz BRTDREAQAIFRSV-UWVGGRQHSA-N 1 0 251.330 1.269 10 10 CDCERO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000925812844 617757055 /nfs/dbraw/zinc/75/70/55/617757055.db2.gz PTFCAGKFAYHXEU-JTQLQIEISA-N 1 0 299.365 1.744 10 10 CDCERO C[C@@H]([NH2+][C@H]1CNOC1)c1cc2c(cc1O)CCCC2 ZINC000925868630 617924756 /nfs/dbraw/zinc/92/47/56/617924756.db2.gz FHXMINNTVBKPNM-MFKMUULPSA-N 1 0 262.353 1.825 10 10 CDCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\C2CC2)cc1 ZINC000843298695 618701482 /nfs/dbraw/zinc/70/14/82/618701482.db2.gz PVSQMWGXSGGDBN-WSVPDTOYSA-N 1 0 273.380 1.835 10 10 CDCERO CC[C@@H](C[NH2+]Cc1cc(OC)ccc1O)C(=O)OC ZINC000895123782 619318709 /nfs/dbraw/zinc/31/87/09/619318709.db2.gz SRKOXPJCQQOXNA-JTQLQIEISA-N 1 0 267.325 1.690 10 10 CDCERO Cc1ccc(C[NH2+][C@H](C)C2N=NC(=O)N2C)c(O)c1 ZINC000895168318 619400873 /nfs/dbraw/zinc/40/08/73/619400873.db2.gz BJOKDYUZDVYRRR-SECBINFHSA-N 1 0 262.313 1.386 10 10 CDCERO O=C1CC2(CCC2)[N@H+](Cc2ccccc2O)CCN1 ZINC000895929051 619907230 /nfs/dbraw/zinc/90/72/30/619907230.db2.gz UPBOPDFKPAALIE-UHFFFAOYSA-N 1 0 260.337 1.637 10 10 CDCERO C[C@H]([NH2+]Cc1cn(-c2ccn(C)n2)nn1)c1ccccc1O ZINC000906323323 627191724 /nfs/dbraw/zinc/19/17/24/627191724.db2.gz RFQMFORVWZFZIJ-NSHDSACASA-N 1 0 298.350 1.557 10 10 CDCERO C[NH+]1C[C@@]2(C)CN(C(=O)C3=CC(=O)CS3)C[C@]2(C)C1 ZINC000913278405 630421833 /nfs/dbraw/zinc/42/18/33/630421833.db2.gz GFHPABRQGQAYGC-KBPBESRZSA-N 1 0 280.393 1.868 10 10 CDCERO CN(C)c1ccc(CN(C)C(=O)CCOC2C[NH2+]C2)cc1 ZINC000825942724 679733171 /nfs/dbraw/zinc/73/31/71/679733171.db2.gz JEVUOCKESLSGCO-UHFFFAOYSA-N 1 0 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CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844013 694867684 /nfs/dbraw/zinc/86/76/84/694867684.db2.gz MXJXDKFDSSEZAC-BXUZGUMPSA-N 1 0 277.368 1.127 10 10 CDCERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c(O)c1 ZINC000858522199 694878310 /nfs/dbraw/zinc/87/83/10/694878310.db2.gz BFEKPGBYSXMOEF-ZIAGYGMSSA-N 1 0 278.396 1.990 10 10 CDCERO COc1c([O-])c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000827292934 694879920 /nfs/dbraw/zinc/87/99/20/694879920.db2.gz ULHMQDDVMLNJKW-IINYFYTJSA-N 1 0 294.307 1.266 10 10 CDCERO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001643793737 1167269890 /nfs/dbraw/zinc/26/98/90/1167269890.db2.gz FTLNQNQUWPNROE-CHWSQXEVSA-N 1 0 290.363 1.193 10 10 CDCERO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001565611143 1168159078 /nfs/dbraw/zinc/15/90/78/1168159078.db2.gz VGZUHPJYLASDEV-SNVBAGLBSA-N 1 0 266.341 1.097 10 10 CDCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(C)=O)cc1C ZINC001715316973 1179619336 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292.335 1.011 10 10 CDCERO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001644305803 1167308274 /nfs/dbraw/zinc/30/82/74/1167308274.db2.gz VGRUFZRQHQIRQX-GFCCVEGCSA-N 1 0 272.356 1.255 10 10 CDCERO Cn1nccc1[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000839178041 905088951 /nfs/dbraw/zinc/08/89/51/905088951.db2.gz AFZRIMMYSHBAGL-JTQLQIEISA-N 1 0 299.733 1.741 10 10 CDCERO COC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000714449389 909741693 /nfs/dbraw/zinc/74/16/93/909741693.db2.gz PEOVORKNKQOWTB-KLPPZKSPSA-N 1 0 251.326 1.915 10 10 CDCERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000716804144 910689728 /nfs/dbraw/zinc/68/97/28/910689728.db2.gz XLKYNGFAEZMNIL-ONGXEEELSA-N 1 0 267.325 1.760 10 10 CDCERO CCOc1cccc(C[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000227439473 911771204 /nfs/dbraw/zinc/77/12/04/911771204.db2.gz GOFLEQABAZLRHX-JTQLQIEISA-N 1 0 279.258 1.804 10 10 CDCERO C[C@H](NC(=O)c1cccc(O)c1O)C1=CC[N@H+](C)CC1 ZINC001138158044 936482077 /nfs/dbraw/zinc/48/20/77/936482077.db2.gz 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JSOHOTXBURGURF-SMDDNHRTSA-N 1 0 251.326 1.367 10 10 CDCERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(O)c(O)c1 ZINC001176903245 914380149 /nfs/dbraw/zinc/38/01/49/914380149.db2.gz HCTMAYDRQHIBSW-CHWSQXEVSA-N 1 0 290.363 1.335 10 10 CDCERO COc1cccc(O)c1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826780089 936439171 /nfs/dbraw/zinc/43/91/71/936439171.db2.gz GXIAVXVLWBKTRZ-UHFFFAOYSA-N 1 0 288.347 1.771 10 10 CDCERO COc1cccc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)c1O ZINC000851677672 927603112 /nfs/dbraw/zinc/60/31/12/927603112.db2.gz JGFJXCYELJHXDW-GFCCVEGCSA-N 1 0 295.383 1.573 10 10 CDCERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817415632 930529775 /nfs/dbraw/zinc/52/97/75/930529775.db2.gz VOQQOVSXVKYCGK-GFCCVEGCSA-N 1 0 279.359 1.460 10 10 CDCERO Oc1ccc(F)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404145641 940953410 /nfs/dbraw/zinc/95/34/10/940953410.db2.gz KUHRQHFINXFLQE-CYBMUJFWSA-N 1 0 255.289 1.162 10 10 CDCERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC001529326561 969028167 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ZINC000848887074 969337211 /nfs/dbraw/zinc/33/72/11/969337211.db2.gz NDESGYJYSNBWLL-ZDUSSCGKSA-N 1 0 298.408 1.208 10 10 CDCERO C1=CCN(c2ccc(CNC3=[NH+]CCCCN3)cc2)C1 ZINC000849216222 969916840 /nfs/dbraw/zinc/91/68/40/969916840.db2.gz ZQJOCFSLCBZKGF-UHFFFAOYSA-N 1 0 270.380 1.892 10 10 CDCERO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001469714255 970268356 /nfs/dbraw/zinc/26/83/56/970268356.db2.gz HVDJHEKLPSCCLS-LBPRGKRZSA-N 1 0 280.368 1.343 10 10 CDCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC)C2)c1 ZINC000271095087 364919487 /nfs/dbraw/zinc/91/94/87/364919487.db2.gz MFQJWCGVFNBZKN-NSHDSACASA-N 1 0 279.336 1.786 10 10 CDCERO COCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000281283527 367616825 /nfs/dbraw/zinc/61/68/25/367616825.db2.gz OMSDKHPUFMWPCX-GFCCVEGCSA-N 1 0 273.760 1.841 10 10 CDCERO CN(C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000662498734 413068883 /nfs/dbraw/zinc/06/88/83/413068883.db2.gz LYUVEQGVSXFSKE-JTQLQIEISA-N 1 0 288.326 1.902 10 10 CDCERO CC(C)[C@H](CNCc1ccc(O)c(O)c1)[NH+](C)C ZINC000020145546 171031425 /nfs/dbraw/zinc/03/14/25/171031425.db2.gz IYDFABYRILOVOD-LBPRGKRZSA-N 1 0 252.358 1.774 10 10 CDCERO CS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000038047630 174058091 /nfs/dbraw/zinc/05/80/91/174058091.db2.gz XGEJDNQENBCBKN-UHFFFAOYSA-N 1 0 296.436 1.811 10 10 CDCERO CCCN(CC(=O)N(C)C)c1ccc(C[NH2+]C)cc1 ZINC000042424060 174723117 /nfs/dbraw/zinc/72/31/17/174723117.db2.gz ZGOZNXYAKMZBNO-UHFFFAOYSA-N 1 0 263.385 1.711 10 10 CDCERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(O)c1O ZINC000126318501 260348056 /nfs/dbraw/zinc/34/80/56/260348056.db2.gz QYEBPOYWCPOUOA-LLVKDONJSA-N 1 0 280.368 1.804 10 10 CDCERO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCC[C@@H]1O ZINC000091899865 327187157 /nfs/dbraw/zinc/18/71/57/327187157.db2.gz OQGCQXSAMSMQFE-PWSUYJOCSA-N 1 0 279.336 1.714 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091524329 334379607 /nfs/dbraw/zinc/37/96/07/334379607.db2.gz HIGWFMFFYNCVDC-KPPDAEKUSA-N 1 0 251.326 1.822 10 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COc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1OC ZINC000853591327 820382962 /nfs/dbraw/zinc/38/29/62/820382962.db2.gz PVIRYTIGTJVGEB-WCQYABFASA-N 1 0 293.363 1.878 10 10 CDCERO CC[C@@H]1[NH2+]CC[C@H]1NCc1cccc(OC)c1O ZINC000863483322 820769273 /nfs/dbraw/zinc/76/92/73/820769273.db2.gz MTMBSMOHBBMVDY-NWDGAFQWSA-N 1 0 250.342 1.631 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1 ZINC000090027556 820801582 /nfs/dbraw/zinc/80/15/82/820801582.db2.gz VBTSWIDUDFUYPJ-SKDRFNHKSA-N 1 0 292.335 1.199 10 10 CDCERO [O-]c1c(F)cccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000717345521 820815703 /nfs/dbraw/zinc/81/57/03/820815703.db2.gz FFUBNITYPOOLJA-VIFPVBQESA-N 1 0 267.222 1.934 10 10 CDCERO C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977209 820820921 /nfs/dbraw/zinc/82/09/21/820820921.db2.gz DTPNWFCXCSWFDK-HLTSFMKQSA-N 1 0 253.302 1.687 10 10 CDCERO COC(OC)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000079608272 820834646 /nfs/dbraw/zinc/83/46/46/820834646.db2.gz BKZBPDMYBQETGN-ZDUSSCGKSA-N 1 0 294.395 1.620 10 10 CDCERO CNC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414532 820841408 /nfs/dbraw/zinc/84/14/08/820841408.db2.gz HFHPGOSJSWFHAI-SNVBAGLBSA-N 1 0 282.771 1.922 10 10 CDCERO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1 ZINC000864450889 820860150 /nfs/dbraw/zinc/86/01/50/820860150.db2.gz DHOPDDGXLAMUCT-WFASDCNBSA-N 1 0 288.395 1.546 10 10 CDCERO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1F ZINC000777969416 821012953 /nfs/dbraw/zinc/01/29/53/821012953.db2.gz SBHDHNDHBONCOB-IUPBHXKESA-N 1 0 281.327 1.998 10 10 CDCERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(F)ccc2O)n1 ZINC000862544434 821056430 /nfs/dbraw/zinc/05/64/30/821056430.db2.gz YSFKJXLDGGETCL-WCQYABFASA-N 1 0 293.298 1.843 10 10 CDCERO OCCN1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000824583779 821251773 /nfs/dbraw/zinc/25/17/73/821251773.db2.gz QOTXCSIMXVWWAE-GFCCVEGCSA-N 1 0 298.814 1.982 10 10 CDCERO COC[C@]1(C)C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000862551632 821265116 /nfs/dbraw/zinc/26/51/16/821265116.db2.gz PBGOBCCWMQFCTO-HNNXBMFYSA-N 1 0 265.353 1.938 10 10 CDCERO C[NH+]1CCC(NC(=S)N2Cc3cccc(O)c3C2)CC1 ZINC000865258968 821321741 /nfs/dbraw/zinc/32/17/41/821321741.db2.gz UONGTYOFNHMTEJ-UHFFFAOYSA-N 1 0 291.420 1.677 10 10 CDCERO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@@H]3C1)[C@H](O)CO2 ZINC000853588220 822084979 /nfs/dbraw/zinc/08/49/79/822084979.db2.gz DABCSUUEKTVMBO-IFUGULHKSA-N 1 0 291.347 1.286 10 10 CDCERO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000824455185 822382337 /nfs/dbraw/zinc/38/23/37/822382337.db2.gz QSFPJIDJOVYHLI-NSHDSACASA-N 1 0 294.326 1.805 10 10 CDCERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841008103 822406607 /nfs/dbraw/zinc/40/66/07/822406607.db2.gz VIMUBRDCQCQOJA-LLVKDONJSA-N 1 0 292.383 1.054 10 10 CDCERO CC[C@@H]1[C@@H](C(=O)N2Cc3cccc(O)c3C2)CC[N@@H+]1C ZINC000871205692 822558349 /nfs/dbraw/zinc/55/83/49/822558349.db2.gz KEEWYDWYZNPUSL-GXTWGEPZSA-N 1 0 274.364 1.965 10 10 CDCERO Cn1ncnc1CNCc1cc(Br)ccc1O 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CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(=O)NC ZINC000697858690 937287635 /nfs/dbraw/zinc/28/76/35/937287635.db2.gz MREGWDACKRPFAE-ZYHUDNBSSA-N 1 0 250.342 1.876 10 10 CDCERO C[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929974899 933290744 /nfs/dbraw/zinc/29/07/44/933290744.db2.gz CAENOJFEBPKULY-VNHYZAJKSA-N 1 0 263.337 1.628 10 10 CDCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C2(O)CCCC2)c1 ZINC000930216807 933336897 /nfs/dbraw/zinc/33/68/97/933336897.db2.gz OHLOQBWXJJNDNP-ABAIWWIYSA-N 1 0 295.379 1.717 10 10 CDCERO CON1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000931553999 933586382 /nfs/dbraw/zinc/58/63/82/933586382.db2.gz JRVKOAMAXQWLOW-MWLCHTKSSA-N 1 0 250.298 1.205 10 10 CDCERO Cc1cccc(C[NH2+]CC[C@]2(O)CCOC2)c1O ZINC000404165843 940955181 /nfs/dbraw/zinc/95/51/81/940955181.db2.gz VEYUTVMGZZTAGT-AWEZNQCLSA-N 1 0 251.326 1.332 10 10 CDCERO COCC(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001281681534 942608865 /nfs/dbraw/zinc/60/88/65/942608865.db2.gz CQZZOHJDFOAUDD-ZDUSSCGKSA-N 1 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MQSXPDMUORNAJD-UHFFFAOYSA-N 1 0 278.352 1.073 10 10 CDCERO C/C=C(/C)C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000131401831 375254628 /nfs/dbraw/zinc/25/46/28/375254628.db2.gz VZGCALIRECEYFU-BASWHVEKSA-N 1 0 291.370 1.818 10 10 CDCERO CC[C@H](CO)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000179581415 391212772 /nfs/dbraw/zinc/21/27/72/391212772.db2.gz XYVOEECYDYAXHM-CQSZACIVSA-N 1 0 264.369 1.281 10 10 CDCERO C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000237541387 391677999 /nfs/dbraw/zinc/67/79/99/391677999.db2.gz LULRUWJZSNBBNP-AAEUAGOBSA-N 1 0 291.370 1.508 10 10 CDCERO CCN(CC)c1ccc(C[NH2+]CCNC(C)=O)cc1 ZINC000020185068 171048079 /nfs/dbraw/zinc/04/80/79/171048079.db2.gz VPYPKXPOEHGUJR-UHFFFAOYSA-N 1 0 263.385 1.759 10 10 CDCERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000022212255 171373999 /nfs/dbraw/zinc/37/39/99/171373999.db2.gz KUOZETNHFDUPNA-DVOMOZLQSA-N 1 0 277.412 1.862 10 10 CDCERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)C(=O)N(C)C ZINC000036794213 172714182 /nfs/dbraw/zinc/71/41/82/172714182.db2.gz SXVYCTLUQZRKDA-DTWKUNHWSA-N 1 0 252.314 1.225 10 10 CDCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000091666938 260266393 /nfs/dbraw/zinc/26/63/93/260266393.db2.gz UIVKBEVZJSXUTF-QWHCGFSZSA-N 1 0 264.369 1.682 10 10 CDCERO COc1cccc(C[NH2+]CC2(C)OCCCO2)c1O ZINC000192249540 262200322 /nfs/dbraw/zinc/20/03/22/262200322.db2.gz SDXHYLJUYLVYNJ-UHFFFAOYSA-N 1 0 267.325 1.644 10 10 CDCERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000126271957 327147833 /nfs/dbraw/zinc/14/78/33/327147833.db2.gz VUHDIRQOSDLEPY-JTQLQIEISA-N 1 0 264.325 1.169 10 10 CDCERO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444253 576283674 /nfs/dbraw/zinc/28/36/74/576283674.db2.gz WGHHOTBLFPCWND-LLVKDONJSA-N 1 0 279.336 1.704 10 10 CDCERO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000769468259 576356720 /nfs/dbraw/zinc/35/67/20/576356720.db2.gz GCOWJEIUUJHDBF-LBPRGKRZSA-N 1 0 283.393 1.567 10 10 CDCERO CCN1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 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CC(C)[NH+]1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC001566358848 1168262059 /nfs/dbraw/zinc/26/20/59/1168262059.db2.gz NWFJXVVRAWXQKK-UHFFFAOYSA-N 1 0 292.379 1.834 10 10 CDCERO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCNC2=O)c1O ZINC000850481099 828371452 /nfs/dbraw/zinc/37/14/52/828371452.db2.gz HXTKJVUVQIGRMW-KCJUWKMLSA-N 1 0 268.744 1.893 10 10 CDCERO Oc1ccccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699537 823734976 /nfs/dbraw/zinc/73/49/76/823734976.db2.gz IKWUHRRNZZXNTA-OAHLLOKOSA-N 1 0 276.380 1.423 10 10 CDCERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(F)ccc1O ZINC000185778531 823837893 /nfs/dbraw/zinc/83/78/93/823837893.db2.gz QJANDNKCBHJAAT-NHYWBVRUSA-N 1 0 283.343 1.971 10 10 CDCERO COc1cccc(O)c1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000863483434 823843834 /nfs/dbraw/zinc/84/38/34/823843834.db2.gz AXMKMWGCBMDVON-QWRGUYRKSA-N 1 0 250.342 1.631 10 10 CDCERO CN1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000723602356 823854223 /nfs/dbraw/zinc/85/42/23/823854223.db2.gz SSQDMXPNPRXHDU-GFCCVEGCSA-N 1 0 260.337 1.189 10 10 CDCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COC(C)C ZINC000819076429 823975961 /nfs/dbraw/zinc/97/59/61/823975961.db2.gz BSUNXMXFLSQENS-MRXNPFEDSA-N 1 0 280.412 1.937 10 10 CDCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1 ZINC000714244895 824151390 /nfs/dbraw/zinc/15/13/90/824151390.db2.gz VKHAFIAVXNYYLD-IJLUTSLNSA-N 1 0 283.393 1.927 10 10 CDCERO Oc1cccc2c1[C@@H]([NH2+]C1CN(c3ccncn3)C1)CC2 ZINC000866495986 824212624 /nfs/dbraw/zinc/21/26/24/824212624.db2.gz KZEODCULGNPCFF-ZDUSSCGKSA-N 1 0 282.347 1.648 10 10 CDCERO COc1cc(O)c(C[NH2+][C@@H]2CCOC2)cc1OC ZINC000822526318 824379320 /nfs/dbraw/zinc/37/93/20/824379320.db2.gz SKGFABKQCMPWAO-SNVBAGLBSA-N 1 0 253.298 1.288 10 10 CDCERO C[N@H+](CC(=O)N1CCCC1)Cc1cc2c(cc1O)CCC2 ZINC000874010180 824552416 /nfs/dbraw/zinc/55/24/16/824552416.db2.gz GTCBAGADBKPZJA-UHFFFAOYSA-N 1 0 288.391 1.935 10 10 CDCERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723601280 824673690 /nfs/dbraw/zinc/67/36/90/824673690.db2.gz NVNYURSBYTTZHG-DGCLKSJQSA-N 1 0 262.353 1.911 10 10 CDCERO CNC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817414087 824700632 /nfs/dbraw/zinc/70/06/32/824700632.db2.gz BUNOQJPAQKHJJW-QMMMGPOBSA-N 1 0 286.734 1.753 10 10 CDCERO COc1cc(Cl)cc(CN2CCOC3(C[NH2+]C3)C2)c1O ZINC000853249144 824724525 /nfs/dbraw/zinc/72/45/25/824724525.db2.gz NPRUWUOSPXCKHF-UHFFFAOYSA-N 1 0 298.770 1.228 10 10 CDCERO CNC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000785589433 828702721 /nfs/dbraw/zinc/70/27/21/828702721.db2.gz PCPCAIHWZZXPHL-AWEZNQCLSA-N 1 0 281.375 1.752 10 10 CDCERO c1cc(C[NH2+][C@H]2CN3C[C@@H]2CCC3)cc2c1OCC2 ZINC000924899159 824832680 /nfs/dbraw/zinc/83/26/80/824832680.db2.gz CLOHANRQFJVIQD-GJZGRUSLSA-N 1 0 258.365 1.805 10 10 CDCERO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000840979210 824888992 /nfs/dbraw/zinc/88/89/92/824888992.db2.gz ZKXOKWJUPWTEDQ-LLVKDONJSA-N 1 0 299.367 1.869 10 10 CDCERO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc1F ZINC000872199894 825062692 /nfs/dbraw/zinc/06/26/92/825062692.db2.gz SLCRZRIYKXTXKZ-LBPRGKRZSA-N 1 0 284.375 1.503 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000723536026 825427508 /nfs/dbraw/zinc/42/75/08/825427508.db2.gz JJJWXMLOFQGTCH-NEPJUHHUSA-N 1 0 262.353 1.830 10 10 CDCERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654019 825464009 /nfs/dbraw/zinc/46/40/09/825464009.db2.gz LRFWDBPMIJDIMW-IUODEOHRSA-N 1 0 290.411 1.550 10 10 CDCERO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000844748269 825473527 /nfs/dbraw/zinc/47/35/27/825473527.db2.gz IQYMMOFGNPWIPI-AUSJPIAWSA-N 1 0 291.416 1.976 10 10 CDCERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000313232298 825524750 /nfs/dbraw/zinc/52/47/50/825524750.db2.gz SUCOXVJCGKAGMB-UONOGXRCSA-N 1 0 276.380 1.690 10 10 CDCERO CC[C@@H]1[C@@H](C(=O)NCc2cccc(OC)c2O)CC[N@@H+]1C ZINC000866764548 825807061 /nfs/dbraw/zinc/80/70/61/825807061.db2.gz UXRMEFFPDAKXNC-QWHCGFSZSA-N 1 0 292.379 1.747 10 10 CDCERO CC[C@H](C(=O)NCc1c(O)cccc1F)[NH+](C)C ZINC000928705300 825982160 /nfs/dbraw/zinc/98/21/60/825982160.db2.gz JBUFGDCCSAEGCF-LLVKDONJSA-N 1 0 254.305 1.488 10 10 CDCERO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091548245 826231786 /nfs/dbraw/zinc/23/17/86/826231786.db2.gz KBYMNAVWSQKIFU-KBPBESRZSA-N 1 0 275.396 1.838 10 10 CDCERO COc1cccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1O ZINC000092588862 826283706 /nfs/dbraw/zinc/28/37/06/826283706.db2.gz WSRBXRQEOYTPBK-LBPRGKRZSA-N 1 0 278.352 1.631 10 10 CDCERO CCc1cccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000848887622 826354431 /nfs/dbraw/zinc/35/44/31/826354431.db2.gz AHKWFGHNQUDMSQ-GFCCVEGCSA-N 1 0 297.420 1.821 10 10 CDCERO COc1cc(O)c(C[N@H+](C)CC2CN(C)C2)cc1OC ZINC000853553880 826442651 /nfs/dbraw/zinc/44/26/51/826442651.db2.gz VGOCOZCLDQIUBM-UHFFFAOYSA-N 1 0 280.368 1.403 10 10 CDCERO C[C@@H](NC(=O)NC/C=C\C[NH3+])c1ccc(N(C)C)cc1 ZINC000841881030 826620579 /nfs/dbraw/zinc/62/05/79/826620579.db2.gz MSPHMTSIRCFDML-QMAVJUDZSA-N 1 0 276.384 1.628 10 10 CDCERO COc1ccc2c(c1)CCN2C(=O)C=C1CC[NH2+]CC1 ZINC000852825181 826844802 /nfs/dbraw/zinc/84/48/02/826844802.db2.gz HGYACNGLMDKPIM-UHFFFAOYSA-N 1 0 272.348 1.894 10 10 CDCERO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1 ZINC000864450887 827373314 /nfs/dbraw/zinc/37/33/14/827373314.db2.gz DHOPDDGXLAMUCT-SWLSCSKDSA-N 1 0 288.395 1.546 10 10 CDCERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858184193 827829532 /nfs/dbraw/zinc/82/95/32/827829532.db2.gz JAHMDHJDWXMJMM-OCAPTIKFSA-N 1 0 299.168 1.508 10 10 CDCERO Cc1cc(N(C)C)ccc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000840913870 827963585 /nfs/dbraw/zinc/96/35/85/827963585.db2.gz KFPWBJRPYBFDJU-OAHLLOKOSA-N 1 0 291.439 1.559 10 10 CDCERO C[C@H]1CC[NH2+]C[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000841058443 828088811 /nfs/dbraw/zinc/08/88/11/828088811.db2.gz HDOYRXVOFVLJRO-GXSJLCMTSA-N 1 0 264.325 1.209 10 10 CDCERO C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000842785081 828212355 /nfs/dbraw/zinc/21/23/55/828212355.db2.gz 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524441154 /nfs/dbraw/zinc/44/11/54/524441154.db2.gz FPZIFVAZRYDTSD-UHFFFAOYSA-N 1 0 250.342 1.892 10 10 CDCERO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1O ZINC000126740140 525959469 /nfs/dbraw/zinc/95/94/69/525959469.db2.gz IOWACXDPZHHIMD-FUNVUKJBSA-N 1 0 263.337 1.889 10 10 CDCERO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC[C@H]1O)OCO2 ZINC000089151330 526336625 /nfs/dbraw/zinc/33/66/25/526336625.db2.gz PPQSUOSRFPRFCR-MWLCHTKSSA-N 1 0 265.309 1.372 10 10 CDCERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1C ZINC000282472994 538842796 /nfs/dbraw/zinc/84/27/96/538842796.db2.gz UULNYIUDVIEOMY-YPMHNXCESA-N 1 0 262.353 1.760 10 10 CDCERO COc1ccc(O)c(C[NH2+]Cc2cnc(C)nc2)c1 ZINC000734003516 575151512 /nfs/dbraw/zinc/15/15/12/575151512.db2.gz KMMMVPSHBBQMJF-UHFFFAOYSA-N 1 0 259.309 1.789 10 10 CDCERO Cc1cc(O)c(C[NH2+]CCOCCO)c(Cl)c1 ZINC000840876898 618133916 /nfs/dbraw/zinc/13/39/16/618133916.db2.gz QQYKFNAULYJNFI-UHFFFAOYSA-N 1 0 259.733 1.453 10 10 CDCERO C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CC(=O)N1C ZINC000799957097 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C[C@@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1ccccc1O ZINC000931555593 711849655 /nfs/dbraw/zinc/84/96/55/711849655.db2.gz YXZHSYVETJVQHU-GFCCVEGCSA-N 1 0 292.379 1.680 10 10 CDCERO C[C@@H](C[NH2+]Cc1ccccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563723 711866575 /nfs/dbraw/zinc/86/65/75/711866575.db2.gz WWFAEEGRQQDEEW-MELADBBJSA-N 1 0 278.396 1.980 10 10 CDCERO COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000213707890 712033626 /nfs/dbraw/zinc/03/36/26/712033626.db2.gz UDAREIMPLNETBL-JTQLQIEISA-N 1 0 295.339 1.787 10 10 CDCERO CCOc1ccc(O)c(CN2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000841024791 712059627 /nfs/dbraw/zinc/05/96/27/712059627.db2.gz SOOSICRGEHBFNV-GWCFXTLKSA-N 1 0 250.342 1.712 10 10 CDCERO COc1cccc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1O ZINC000853248323 712122101 /nfs/dbraw/zinc/12/21/01/712122101.db2.gz RVTDRKUHCHAQCC-GHMZBOCLSA-N 1 0 254.305 1.272 10 10 CDCERO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)cc1O ZINC000841746499 712218841 /nfs/dbraw/zinc/21/88/41/712218841.db2.gz GUIRTAFWAPOGDD-KCJUWKMLSA-N 1 0 268.744 1.975 10 10 CDCERO COC[C@@H](C[N@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC000852210969 712277859 /nfs/dbraw/zinc/27/78/59/712277859.db2.gz CUXDCNXBHYZGBN-MRXNPFEDSA-N 1 0 296.411 1.725 10 10 CDCERO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1c(O)cccc1F ZINC000928705655 712307182 /nfs/dbraw/zinc/30/71/82/712307182.db2.gz MNEIPJTYLBZGMQ-NSHDSACASA-N 1 0 296.342 1.116 10 10 CDCERO C[C@H]1C[NH+]=C(NCc2cc(Br)ccc2O)N1 ZINC000849027857 712336600 /nfs/dbraw/zinc/33/66/00/712336600.db2.gz LVPZJWLFFYFVPX-ZETCQYMHSA-N 1 0 284.157 1.592 10 10 CDCERO COc1cc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000213711922 712397074 /nfs/dbraw/zinc/39/70/74/712397074.db2.gz KRBKVHWTVWRCMB-ZJUUUORDSA-N 1 0 295.339 1.786 10 10 CDCERO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C3CC3)C2)cc1 ZINC000819381056 712402243 /nfs/dbraw/zinc/40/22/43/712402243.db2.gz URPPAFOKGUJFMR-CXAGYDPISA-N 1 0 290.407 1.882 10 10 CDCERO CO[C@@]1(CO)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000826951712 712444476 /nfs/dbraw/zinc/44/44/76/712444476.db2.gz CAQLLTXXISVXJL-HNNXBMFYSA-N 1 0 265.353 1.674 10 10 CDCERO C[C@H]([NH3+])[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000843056038 712454182 /nfs/dbraw/zinc/45/41/82/712454182.db2.gz CWTYWTFOQFRURF-RMLGOWPTSA-N 1 0 289.423 1.814 10 10 CDCERO CN(C)c1ccc(C[NH2+]C2COCCOC2)cc1 ZINC000385702747 712497405 /nfs/dbraw/zinc/49/74/05/712497405.db2.gz GFOXZRRTSOVARU-UHFFFAOYSA-N 1 0 250.342 1.258 10 10 CDCERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1O ZINC000136405245 712729247 /nfs/dbraw/zinc/72/92/47/712729247.db2.gz NKRXXNXBTHNCCX-LBPRGKRZSA-N 1 0 250.342 1.724 10 10 CDCERO COC[C@](C)(O)CC[NH2+]Cc1cccc(OC)c1O ZINC000824559337 712774783 /nfs/dbraw/zinc/77/47/83/712774783.db2.gz POXSSUUBJKJYRS-CQSZACIVSA-N 1 0 269.341 1.278 10 10 CDCERO C[N@H+](CCO[C@H]1CCOC1)Cc1ccccc1O ZINC000929976041 712775635 /nfs/dbraw/zinc/77/56/35/712775635.db2.gz LXCYCYBPNMWOKN-ZDUSSCGKSA-N 1 0 251.326 1.630 10 10 CDCERO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCOC1)OCO2 ZINC000230164595 912288327 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[O-]c1c(Cl)cccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000853246756 695919916 /nfs/dbraw/zinc/91/99/16/695919916.db2.gz RXSDDLXJHAKQDM-UHFFFAOYSA-N 1 0 252.745 1.887 10 10 CDCERO COCCO[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000188921746 695959582 /nfs/dbraw/zinc/95/95/82/695959582.db2.gz GRIMYTPMOFNBAG-CQSZACIVSA-N 1 0 295.379 1.947 10 10 CDCERO C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809742937 696001998 /nfs/dbraw/zinc/00/19/98/696001998.db2.gz NPFJLAQZLHJIAJ-LBPRGKRZSA-N 1 0 282.359 1.475 10 10 CDCERO Cc1cc(N(C)C)ccc1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870887635 696021717 /nfs/dbraw/zinc/02/17/17/696021717.db2.gz DRRDROFRIGUQHW-KEYYUXOJSA-N 1 0 287.407 1.805 10 10 CDCERO CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000856811156 696104093 /nfs/dbraw/zinc/10/40/93/696104093.db2.gz BKYUKDJIKUHKGP-YIEVGGLXSA-N 1 0 287.407 1.976 10 10 CDCERO CCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CC[N@H+](CC)C1 ZINC000855491794 696195549 /nfs/dbraw/zinc/19/55/49/696195549.db2.gz 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SUCOXVJCGKAGMB-KGLIPLIRSA-N 1 0 276.380 1.690 10 10 CDCERO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2COCC[C@H]2O)cc1 ZINC000865749314 726050333 /nfs/dbraw/zinc/05/03/33/726050333.db2.gz CXRUEGRLBNAHOE-JGPFYOFESA-N 1 0 276.380 1.505 10 10 CDCERO C[N@H+](CC(=O)N1Cc2cccc(O)c2C1)[C@H]1CCSC1 ZINC000871203525 726052102 /nfs/dbraw/zinc/05/21/02/726052102.db2.gz MUXJWJVDEQZONW-LBPRGKRZSA-N 1 0 292.404 1.672 10 10 CDCERO O=C1C[C@H](CC[NH2+]Cc2c(O)cccc2Cl)CN1 ZINC000922781104 726055397 /nfs/dbraw/zinc/05/53/97/726055397.db2.gz ORWRUYWORMCMRW-VIFPVBQESA-N 1 0 268.744 1.661 10 10 CDCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000839153826 726075557 /nfs/dbraw/zinc/07/55/57/726075557.db2.gz IGNWHXYMTCTRQW-HNNXBMFYSA-N 1 0 281.352 1.110 10 10 CDCERO CC[S@](=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168766501 726146604 /nfs/dbraw/zinc/14/66/04/726146604.db2.gz JJOTVWVWTQWRGP-VVVCHXIZSA-N 1 0 259.346 1.951 10 10 CDCERO Cc1cccc(CN2CC[NH2+]C[C@@](C)(F)C2)c1O ZINC000843124580 726270891 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C[NH+](C)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779483812 727972730 /nfs/dbraw/zinc/97/27/30/727972730.db2.gz IZCTUZLWYDDYOZ-XQRVVYSFSA-N 1 0 290.363 1.664 10 10 CDCERO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000862545347 728022852 /nfs/dbraw/zinc/02/28/52/728022852.db2.gz PQYFLLKZGQXCPO-DGCLKSJQSA-N 1 0 277.320 1.396 10 10 CDCERO O=C1O[C@H](C[NH2+]Cc2cc(F)ccc2O)CN1C1CC1 ZINC000848928249 728104394 /nfs/dbraw/zinc/10/43/94/728104394.db2.gz BHCCLBTYADYSJM-GFCCVEGCSA-N 1 0 280.299 1.604 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c(O)c1 ZINC000927134498 728214133 /nfs/dbraw/zinc/21/41/33/728214133.db2.gz JAONYIROFPRKLU-ABAIWWIYSA-N 1 0 275.352 1.818 10 10 CDCERO CCOCCN1CC[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000245643131 728293805 /nfs/dbraw/zinc/29/38/05/728293805.db2.gz ZFGLLAOVIHVPPL-CQSZACIVSA-N 1 0 278.396 1.935 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(C)(C)C)c1 ZINC000121882820 1164876688 /nfs/dbraw/zinc/87/66/88/1164876688.db2.gz OGAHJXRZDVDXIM-JTQLQIEISA-N 1 0 280.368 1.966 10 10 CDCERO CCCN(C)CC(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001634939695 1166547942 /nfs/dbraw/zinc/54/79/42/1166547942.db2.gz RTDZHEQWUWQLQN-UHFFFAOYSA-N 1 0 285.384 1.836 10 10 CDCERO COCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482247029 904158194 /nfs/dbraw/zinc/15/81/94/904158194.db2.gz HHSCSQUKMCXINT-ZDUSSCGKSA-N 1 0 294.395 1.587 10 10 CDCERO CC1(C(N)=O)C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843415581 937147690 /nfs/dbraw/zinc/14/76/90/937147690.db2.gz JOFSMGDPRLPLQU-UHFFFAOYSA-N 1 0 287.407 1.984 10 10 CDCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccn(C)n3)C2)cc1 ZINC000850346847 927417523 /nfs/dbraw/zinc/41/75/23/927417523.db2.gz YQIFOXOFWIIDOB-AWEZNQCLSA-N 1 0 286.379 1.797 10 10 CDCERO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C2)cc1 ZINC000851640576 927594125 /nfs/dbraw/zinc/59/41/25/927594125.db2.gz YHQBETLKPKCJGE-XQQFMLRXSA-N 1 0 291.395 1.373 10 10 CDCERO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC ZINC000697901701 937287362 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CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001295829683 954755981 /nfs/dbraw/zinc/75/59/81/954755981.db2.gz UDZNBBIKHJIQRP-RYUDHWBXSA-N 1 0 292.379 1.581 10 10 CDCERO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001299130351 955282583 /nfs/dbraw/zinc/28/25/83/955282583.db2.gz HOWXLGXRSLVHBL-GFCCVEGCSA-N 1 0 292.379 1.488 10 10 CDCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(C)=O)cc1C ZINC001319149076 958395267 /nfs/dbraw/zinc/39/52/67/958395267.db2.gz FUKWGNJSDIJTMF-LLVKDONJSA-N 1 0 264.369 1.865 10 10 CDCERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001557001221 965130152 /nfs/dbraw/zinc/13/01/52/965130152.db2.gz SPMZSZTYRUOHNL-CYBMUJFWSA-N 1 0 292.379 1.581 10 10 CDCERO Cc1cc(Cl)cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1O ZINC000848925858 969356406 /nfs/dbraw/zinc/35/64/06/969356406.db2.gz GGSZAYUNONLRTR-UONOGXRCSA-N 1 0 296.798 1.605 10 10 CDCERO CC[C@@H](CO)[NH+]1CCN(Cc2cccc(OC)c2O)CC1 ZINC000093740201 342425898 /nfs/dbraw/zinc/42/58/98/342425898.db2.gz 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VPPMAPHWCWTMOS-UHFFFAOYSA-N 1 0 270.304 1.421 10 10 CDCERO CN(C)c1ccc(/C=C/C[N@H+](C)CCC(N)=O)cc1 ZINC000835054503 732613583 /nfs/dbraw/zinc/61/35/83/732613583.db2.gz WERAMDNUFZRBRU-SNAWJCMRSA-N 1 0 261.369 1.573 10 10 CDCERO COc1cccc(O)c1CN[C@@H](C[NH3+])C(F)(F)F ZINC000848715923 732913127 /nfs/dbraw/zinc/91/31/27/732913127.db2.gz RQAXMSJUNATEEM-JTQLQIEISA-N 1 0 264.247 1.380 10 10 CDCERO COc1cccc(C[N@H+](C)CC2(CO)CC2)c1O ZINC000188960057 732989430 /nfs/dbraw/zinc/98/94/30/732989430.db2.gz OTSPJGXRPXAKCN-UHFFFAOYSA-N 1 0 251.326 1.605 10 10 CDCERO COc1cccc(O)c1C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000850343478 733077161 /nfs/dbraw/zinc/07/71/61/733077161.db2.gz UBTMDXVRTZIBQI-IAQYHMDHSA-N 1 0 281.352 1.542 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c(O)c1 ZINC000786945364 733162780 /nfs/dbraw/zinc/16/27/80/733162780.db2.gz MOPPVBZEQZUETK-LLVKDONJSA-N 1 0 283.393 1.786 10 10 CDCERO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001628445682 1166074500 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1.195 10 10 CDCERO [NH3+]CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841930065 770313956 /nfs/dbraw/zinc/31/39/56/770313956.db2.gz QNWMBRFULLDAAW-UHFFFAOYSA-N 1 0 277.368 1.419 10 10 CDCERO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)NC ZINC000835055355 770348748 /nfs/dbraw/zinc/34/87/48/770348748.db2.gz VCOTYDJEJQEPCM-XHPSBEMXSA-N 1 0 275.396 1.880 10 10 CDCERO Oc1cc2c(cc1CN1CC[NH+](C3CC3)CC1)OCO2 ZINC000129093499 770380780 /nfs/dbraw/zinc/38/07/80/770380780.db2.gz YGIOFYMVGVGOHY-UHFFFAOYSA-N 1 0 276.336 1.401 10 10 CDCERO Cc1ccc(O)c(C[NH2+]CC[C@@H](C)[S@](C)=O)c1 ZINC000129462461 770778744 /nfs/dbraw/zinc/77/87/44/770778744.db2.gz FDARCWXWHVOASG-PIGZYNQJSA-N 1 0 255.383 1.947 10 10 CDCERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(F)ccc1O ZINC000185778572 771199947 /nfs/dbraw/zinc/19/99/47/771199947.db2.gz QJANDNKCBHJAAT-XHDPSFHLSA-N 1 0 283.343 1.971 10 10 CDCERO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000716759294 771219526 /nfs/dbraw/zinc/21/95/26/771219526.db2.gz RFCFDHUTTACSBJ-CQSZACIVSA-N 1 0 274.364 1.801 10 10 CDCERO COc1cccc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1O ZINC000858435630 771253307 /nfs/dbraw/zinc/25/33/07/771253307.db2.gz NMWLDECPFLENHT-JQWIXIFHSA-N 1 0 291.351 1.519 10 10 CDCERO CCOc1ccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c(O)c1 ZINC000814173978 771260163 /nfs/dbraw/zinc/26/01/63/771260163.db2.gz UVMDMCJMLCOTTG-IUODEOHRSA-N 1 0 276.380 1.927 10 10 CDCERO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000808430854 771264107 /nfs/dbraw/zinc/26/41/07/771264107.db2.gz KMQSAJKILXVLTK-HNNXBMFYSA-N 1 0 272.348 1.961 10 10 CDCERO COc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000827285066 771344577 /nfs/dbraw/zinc/34/45/77/771344577.db2.gz XTFMNUMGLJASGK-IUODEOHRSA-N 1 0 263.337 1.869 10 10 CDCERO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000858493921 771360871 /nfs/dbraw/zinc/36/08/71/771360871.db2.gz AMUKPLZMSOWGSS-NQMVMOMDSA-N 1 0 268.744 1.960 10 10 CDCERO CN(C)c1ccc(CNCc2cc(C(N)=O)co2)cc1 ZINC000189408827 771392289 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DYTJCFXNYQMAFQ-OAHLLOKOSA-N 1 0 290.407 1.983 10 10 CDCERO CN(C)c1ccc(/C=C/C[NH2+]CC(=O)NCC(F)F)cc1 ZINC000835053269 783383417 /nfs/dbraw/zinc/38/34/17/783383417.db2.gz VAVNHFXIBNZAMG-ONEGZZNKSA-N 1 0 297.349 1.737 10 10 CDCERO CC(C)(C[NH2+]Cc1ccccc1O)CS(C)(=O)=O ZINC000693015901 894713057 /nfs/dbraw/zinc/71/30/57/894713057.db2.gz GHUYDTNMAIVNTK-UHFFFAOYSA-N 1 0 271.382 1.553 10 10 CDCERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O ZINC000724564012 896921559 /nfs/dbraw/zinc/92/15/59/896921559.db2.gz SQFONFLUGLOAIT-YFCNSXCBSA-N 1 0 263.337 1.847 10 10 CDCERO COc1ccc(C[NH2+]C[C@@H](C)NC(C)=O)cc1C ZINC001483102435 909353195 /nfs/dbraw/zinc/35/31/95/909353195.db2.gz HLZUSSOONCGCBH-LLVKDONJSA-N 1 0 250.342 1.618 10 10 CDCERO COC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716860797 910702531 /nfs/dbraw/zinc/70/25/31/910702531.db2.gz LDGZKQVYOHRPIZ-AWEZNQCLSA-N 1 0 251.326 1.109 10 10 CDCERO CC(C)[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483298994 910811668 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NNYPWNBEMCLAKB-UHFFFAOYSA-N 1 0 292.379 1.891 10 10 CDCERO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1(S(C)(=O)=O)CC1 ZINC000834799158 895869108 /nfs/dbraw/zinc/86/91/08/895869108.db2.gz WVTSEYKIVRRESZ-JQWIXIFHSA-N 1 0 295.404 1.935 10 10 CDCERO Oc1cc(Br)ccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895645987 905963626 /nfs/dbraw/zinc/96/36/26/905963626.db2.gz UDNAHAQDALZTEO-CABZTGNLSA-N 1 0 284.153 1.721 10 10 CDCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](C)[C@H](C)O1 ZINC000783545110 906159392 /nfs/dbraw/zinc/15/93/92/906159392.db2.gz MUFNTLYEXXEWIO-LMCGPQHNSA-N 1 0 293.363 1.816 10 10 CDCERO O=C(NCCC[NH2+]C1CC1)NCc1ccccc1O ZINC000841918631 908812180 /nfs/dbraw/zinc/81/21/80/908812180.db2.gz RMIYFWUOABZWCF-UHFFFAOYSA-N 1 0 263.341 1.334 10 10 CDCERO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000842005036 908862154 /nfs/dbraw/zinc/86/21/54/908862154.db2.gz NQJJHBNLKQWSPN-BBBLOLIVSA-N 1 0 281.356 1.497 10 10 CDCERO CCN1CC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000712574932 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Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000185993579 262075112 /nfs/dbraw/zinc/07/51/12/262075112.db2.gz ZZHAYIYBGAKAQV-VXGBXAGGSA-N 1 0 272.352 1.958 10 10 CDCERO CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667063799 1173229664 /nfs/dbraw/zinc/22/96/64/1173229664.db2.gz PUBMAGXGFHEOEX-SNVBAGLBSA-N 1 0 291.355 1.919 10 10 CDCERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2O)CN1 ZINC000378370338 329047853 /nfs/dbraw/zinc/04/78/53/329047853.db2.gz LALYVLJWAWDJHE-UONOGXRCSA-N 1 0 274.364 1.883 10 10 CDCERO COCCN(CCOC)c1ccc([C@H](C)[NH3+])cc1F ZINC000048895470 523725779 /nfs/dbraw/zinc/72/57/79/523725779.db2.gz MZEQDWSPYLGRHO-NSHDSACASA-N 1 0 270.348 1.945 10 10 CDCERO CC[C@H](C)[NH+]1CCN(Cc2cc(N)ccc2O)CC1 ZINC000055063473 523956260 /nfs/dbraw/zinc/95/62/60/523956260.db2.gz DCGWMUPQIRSKOQ-LBPRGKRZSA-N 1 0 263.385 1.891 10 10 CDCERO Cc1cc(Cl)cc(C[NH2+][C@]2(CCO)CCOC2)c1O ZINC000278661802 524874754 /nfs/dbraw/zinc/87/47/54/524874754.db2.gz KRGOXKUFSHEWOX-CQSZACIVSA-N 1 0 285.771 1.985 10 10 CDCERO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000279409622 525346282 /nfs/dbraw/zinc/34/62/82/525346282.db2.gz LXWLSDXBYQVATD-OAHLLOKOSA-N 1 0 260.337 1.413 10 10 CDCERO Cc1cnn(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000071877350 526263212 /nfs/dbraw/zinc/26/32/12/526263212.db2.gz HHTVDRMXVRATBB-UHFFFAOYSA-N 1 0 257.337 1.916 10 10 CDCERO O=C1C[C@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)CN1 ZINC000278988834 527035635 /nfs/dbraw/zinc/03/56/35/527035635.db2.gz AGFYTJAXKULETK-CQSZACIVSA-N 1 0 280.755 1.758 10 10 CDCERO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000770388538 575444678 /nfs/dbraw/zinc/44/46/78/575444678.db2.gz CLIYOJGFPVCUOV-ZDUSSCGKSA-N 1 0 276.336 1.727 10 10 CDCERO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000762623228 576659178 /nfs/dbraw/zinc/65/91/78/576659178.db2.gz AAOCSGCAEKLWRT-LBPRGKRZSA-N 1 0 296.386 1.911 10 10 CDCERO CON(C)C(=O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000895046393 619219028 /nfs/dbraw/zinc/21/90/28/619219028.db2.gz JSVHMFCMZSZNQI-AATRIKPKSA-N 1 0 277.368 1.375 10 10 CDCERO CNC(=O)C1([NH2+]Cc2cc(C)c(C)cc2O)CCOCC1 ZINC000895886103 619884418 /nfs/dbraw/zinc/88/44/18/619884418.db2.gz YIDXBNJXVWKKKU-UHFFFAOYSA-N 1 0 292.379 1.394 10 10 CDCERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000796573093 620316240 /nfs/dbraw/zinc/31/62/40/620316240.db2.gz AHFYZVIFHBZAKO-XJKSGUPXSA-N 1 0 278.396 1.724 10 10 CDCERO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCS2)c(O)c1 ZINC000905046695 626384758 /nfs/dbraw/zinc/38/47/58/626384758.db2.gz ITRZPEQTYDCKKS-LBPRGKRZSA-N 1 0 295.408 1.910 10 10 CDCERO COc1ccc(N2CCN(CC[S@](C)=O)CC2)cc1 ZINC000787730762 790779804 /nfs/dbraw/zinc/77/98/04/790779804.db2.gz MTAKBLDMOAXIHO-IBGZPJMESA-N 1 0 282.409 1.196 10 10 CDCERO CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CC[N@H+](C)C1 ZINC000855360147 790805426 /nfs/dbraw/zinc/80/54/26/790805426.db2.gz HQXQMAVMVVPWNE-VGVVRCBHSA-N 1 0 290.363 1.664 10 10 CDCERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000923120293 790858014 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Nc1ccc(NCc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000853245629 927990313 /nfs/dbraw/zinc/99/03/13/927990313.db2.gz ABIRYBIYHCXTBF-UHFFFAOYSA-N 1 0 260.366 1.983 10 10 CDCERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000404197269 940957350 /nfs/dbraw/zinc/95/73/50/940957350.db2.gz GHTPHLMQENKVHH-CZUORRHYSA-N 1 0 278.396 1.945 10 10 CDCERO CC[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001265873072 944552316 /nfs/dbraw/zinc/55/23/16/944552316.db2.gz MALNGHBZVQVPNZ-VIFPVBQESA-N 1 0 277.328 1.577 10 10 CDCERO c1cc(N2CCCC2)ccc1CN1CCOC2(C[NH2+]C2)C1 ZINC001329993609 956224551 /nfs/dbraw/zinc/22/45/51/956224551.db2.gz BPLBGJLDBAYYCM-UHFFFAOYSA-N 1 0 287.407 1.461 10 10 CDCERO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001349536154 966380584 /nfs/dbraw/zinc/38/05/84/966380584.db2.gz UZYIRBBLFGSNAA-TWOQFEAHSA-N 1 0 290.432 1.992 10 10 CDCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCO)c1O ZINC000848518772 969144306 /nfs/dbraw/zinc/14/43/06/969144306.db2.gz LTNQVNCIPXLQHJ-SSDOTTSWSA-N 1 0 290.157 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CXAKAZXGEIIFTO-NSHDSACASA-N 1 0 255.314 1.012 10 10 in-vitro CDCERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000126391568 260351934 /nfs/dbraw/zinc/35/19/34/260351934.db2.gz IUMLEYWLYSLTON-JTQLQIEISA-N 1 0 264.325 1.264 10 10 CDCERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000126391813 260351989 /nfs/dbraw/zinc/35/19/89/260351989.db2.gz IUMLEYWLYSLTON-SNVBAGLBSA-N 1 0 264.325 1.264 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000184934591 262034360 /nfs/dbraw/zinc/03/43/60/262034360.db2.gz HHKGBOJIGSJMHJ-OLZOCXBDSA-N 1 0 294.395 1.772 10 10 CDCERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(O)c1O ZINC000186921462 262116545 /nfs/dbraw/zinc/11/65/45/262116545.db2.gz WHSKRNNIPIEMMK-JTQLQIEISA-N 1 0 266.341 1.558 10 10 CDCERO COC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000293609999 263144050 /nfs/dbraw/zinc/14/40/50/263144050.db2.gz JXYPWVYHOGHTSI-JTQLQIEISA-N 1 0 251.282 1.342 10 10 CDCERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296421035 288839151 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PTBVLGKPZCJKFQ-NHYWBVRUSA-N 1 0 281.352 1.593 10 10 CDCERO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000407277180 941228357 /nfs/dbraw/zinc/22/83/57/941228357.db2.gz BAXYGBOBZFEEFC-CVEARBPZSA-N 1 0 287.407 1.899 10 10 CDCERO C[C@]12COC[C@H]1C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC001327697511 955003117 /nfs/dbraw/zinc/00/31/17/955003117.db2.gz GQEAQRXHJDFXIQ-WPGHFRTFSA-N 1 0 291.347 1.286 10 10 CDCERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC001557085465 965143765 /nfs/dbraw/zinc/14/37/65/965143765.db2.gz MQEAYDZOXWZFSM-WCQYABFASA-N 1 0 292.379 1.834 10 10 CDCERO CC[NH+](CC)CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001540288964 967128794 /nfs/dbraw/zinc/12/87/94/967128794.db2.gz MEGQYNUPWFTLTM-UHFFFAOYSA-N 1 0 280.368 1.488 10 10 CDCERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C ZINC001452140810 968071012 /nfs/dbraw/zinc/07/10/12/968071012.db2.gz WFIWLNASWLCHGY-ZIAGYGMSSA-N 1 0 292.379 1.485 10 10 CDCERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001472063932 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Cc1ccc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000020133238 171021546 /nfs/dbraw/zinc/02/15/46/171021546.db2.gz ARAHCWQPNZQKJG-MNOVXSKESA-N 1 0 269.366 1.538 10 10 CDCERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000022212244 171373877 /nfs/dbraw/zinc/37/38/77/171373877.db2.gz KUOZETNHFDUPNA-IOASZLSFSA-N 1 0 277.412 1.862 10 10 CDCERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c(O)c1 ZINC000091667520 260266564 /nfs/dbraw/zinc/26/65/64/260266564.db2.gz TXSLTRINXCPVEA-CHWSQXEVSA-N 1 0 264.369 1.682 10 10 CDCERO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCCCO)cc1 ZINC000276451854 263036732 /nfs/dbraw/zinc/03/67/32/263036732.db2.gz WBGRITHZINIQSB-UHFFFAOYSA-N 1 0 293.411 1.073 10 10 CDCERO CN(C)c1ccc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000184236433 329258138 /nfs/dbraw/zinc/25/81/38/329258138.db2.gz FAIXLELQUNITGM-INIZCTEOSA-N 1 0 275.396 1.983 10 10 CDCERO CC[NH+](CC)CC[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001649007304 1160822964 /nfs/dbraw/zinc/82/29/64/1160822964.db2.gz 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COc1ccc(O)c(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000192997352 711676947 /nfs/dbraw/zinc/67/69/47/711676947.db2.gz OYSZARPUIJWTJD-SNVBAGLBSA-N 1 0 261.325 1.985 10 10 CDCERO COc1cccc(C[N@H+](C[C@H](C)O)C(C)C)c1O ZINC000093144966 711706801 /nfs/dbraw/zinc/70/68/01/711706801.db2.gz BTXACYYBSVVHRM-NSHDSACASA-N 1 0 253.342 1.992 10 10 CDCERO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000846190016 711726226 /nfs/dbraw/zinc/72/62/26/711726226.db2.gz ONBLXHMTYRUYBT-REIXXSIJSA-N 1 0 278.327 1.933 10 10 CDCERO Cc1cc(Cl)cc(C[NH+]2CC(C)(C(N)=O)C2)c1O ZINC000843416023 711729518 /nfs/dbraw/zinc/72/95/18/711729518.db2.gz OOSMWQHRPHCXIB-UHFFFAOYSA-N 1 0 268.744 1.661 10 10 CDCERO CCC[C@H](O)[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000842227213 711761318 /nfs/dbraw/zinc/76/13/18/711761318.db2.gz SNJWMBMBSBZLIF-DGDBIBOCSA-N 1 0 292.423 1.877 10 10 CDCERO COc1cccc(O)c1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000863483432 711776284 /nfs/dbraw/zinc/77/62/84/711776284.db2.gz AXMKMWGCBMDVON-GHMZBOCLSA-N 1 0 250.342 1.631 10 10 CDCERO CN(C)c1ccc(C[N@@H+]2CCNC(=O)CC2(C)C)cc1F ZINC001332011862 957398265 /nfs/dbraw/zinc/39/82/65/957398265.db2.gz PWPWEOOCKQVXBC-UHFFFAOYSA-N 1 0 293.386 1.992 10 10 CDCERO CCON(C)C(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001346204854 964987350 /nfs/dbraw/zinc/98/73/50/964987350.db2.gz DWAKQQKXOQLFEO-UHFFFAOYSA-N 1 0 291.395 1.786 10 10 CDCERO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)C(F)F ZINC000295022115 199304202 /nfs/dbraw/zinc/30/42/02/199304202.db2.gz KRAMAHAOAMRLHC-PELKAZGASA-N 1 0 289.278 1.615 10 10 CDCERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000180163673 357247824 /nfs/dbraw/zinc/24/78/24/357247824.db2.gz OZOXOORFOQGLJJ-CQSZACIVSA-N 1 0 294.395 1.289 10 10 CDCERO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295126060 371133993 /nfs/dbraw/zinc/13/39/93/371133993.db2.gz NXCZYBABLZHIQG-HOCLYGCPSA-N 1 0 292.379 1.306 10 10 CDCERO CN(C)C(=O)CCN(c1ccc(C[NH3+])cc1)C1CC1 ZINC000037897759 173825331 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LWZIDMOOIZQEMG-QMTHXVAHSA-N 1 0 269.316 1.723 10 10 CDCERO COCC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480743074 971856168 /nfs/dbraw/zinc/85/61/68/971856168.db2.gz CQZZOHJDFOAUDD-CYBMUJFWSA-N 1 0 294.395 1.634 10 10 CDCERO CC[NH+](CC)CCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001294336717 954490621 /nfs/dbraw/zinc/49/06/21/954490621.db2.gz JBPZMMPUMMFQCD-UHFFFAOYSA-N 1 0 294.395 1.879 10 10 CDCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+](C)C ZINC001442617205 965136964 /nfs/dbraw/zinc/13/69/64/965136964.db2.gz OUTSLLURGHFONO-SECBINFHSA-N 1 0 277.328 1.529 10 10 CDCERO O=C1C[C@H](CC[NH2+]Cc2ccc(N3CCCC3)cc2)CN1 ZINC001350903600 966793203 /nfs/dbraw/zinc/79/32/03/966793203.db2.gz RNPBUAFSWPAGME-HNNXBMFYSA-N 1 0 287.407 1.903 10 10 CDCERO O=C(Cc1ccc(O)c(O)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001544431388 967359230 /nfs/dbraw/zinc/35/92/30/967359230.db2.gz PPYJJRTZPSKWFH-CYBMUJFWSA-N 1 0 290.363 1.337 10 10 CDCERO COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1O ZINC000847589448 967721860 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ZINC000163137255 392941754 /nfs/dbraw/zinc/94/17/54/392941754.db2.gz FQVROXFUDDEIDY-ZFWWWQNUSA-N 1 0 263.337 1.820 10 10 CDCERO C[C@@H](C(=O)N1CCCC1)[N@H+](C)Cc1ccc(N)cc1 ZINC000035360559 172151397 /nfs/dbraw/zinc/15/13/97/172151397.db2.gz PVOFFOHSNFQABY-LBPRGKRZSA-N 1 0 261.369 1.712 10 10 CDCERO CCOc1ccc(O)c(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128196952 521146211 /nfs/dbraw/zinc/14/62/11/521146211.db2.gz VMXXFHKBHHWKNS-OAHLLOKOSA-N 1 0 294.395 1.553 10 10 CDCERO CC(C)[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000768175811 576262501 /nfs/dbraw/zinc/26/25/01/576262501.db2.gz WWEVBOGAJVEUAE-UHFFFAOYSA-N 1 0 278.396 1.726 10 10 CDCERO C[C@H]1C[C@H]([NH2+][C@@H]2CNOC2)c2c1c(F)ccc2O ZINC000925862876 617904643 /nfs/dbraw/zinc/90/46/43/617904643.db2.gz ZEFBLQYKTCBNAU-XKSSXDPKSA-N 1 0 252.289 1.573 10 10 CDCERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000925881785 617963813 /nfs/dbraw/zinc/96/38/13/617963813.db2.gz GQIZCLYKERECOP-WZRBSPASSA-N 1 0 292.379 1.957 10 10 CDCERO COc1c([O-])c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000841065559 618679907 /nfs/dbraw/zinc/67/99/07/618679907.db2.gz ZYWNAVPHCWLDOG-ONGXEEELSA-N 1 0 295.339 1.397 10 10 CDCERO Cc1cc(O)c(C[NH2+]C[C@H]2CNCCO2)c(Cl)c1 ZINC000841101371 618683098 /nfs/dbraw/zinc/68/30/98/618683098.db2.gz VIKDWENITIRYGP-SNVBAGLBSA-N 1 0 270.760 1.432 10 10 CDCERO CNC(=O)C1([NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000895883781 619883674 /nfs/dbraw/zinc/88/36/74/619883674.db2.gz HXORGRBJMOIDRP-UHFFFAOYSA-N 1 0 290.363 1.006 10 10 CDCERO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1 ZINC000903211891 625904909 /nfs/dbraw/zinc/90/49/09/625904909.db2.gz FXDQSGQFKIAGNO-RYUDHWBXSA-N 1 0 292.379 1.920 10 10 CDCERO COc1cc(O)c(CNCc2cc(N)cc[nH+]2)cc1OC ZINC000903949868 626164635 /nfs/dbraw/zinc/16/46/35/626164635.db2.gz FZFZYSXHITXVLT-UHFFFAOYSA-N 1 0 289.335 1.676 10 10 CDCERO Cc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)c(O)c1O ZINC000912324888 629935668 /nfs/dbraw/zinc/93/56/68/629935668.db2.gz JPXBKQLVIAYZCL-UHFFFAOYSA-N 1 0 276.336 1.326 10 10 CDCERO C[C@@H]1[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000925346245 633195609 /nfs/dbraw/zinc/19/56/09/633195609.db2.gz ASTMONATPVMWKU-SKDRFNHKSA-N 1 0 297.786 1.937 10 10 CDCERO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808424697 1162849405 /nfs/dbraw/zinc/84/94/05/1162849405.db2.gz RTCBRQZLGFPIRK-RYUDHWBXSA-N 1 0 282.359 1.521 10 10 CDCERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808424698 1162849577 /nfs/dbraw/zinc/84/95/77/1162849577.db2.gz RTCBRQZLGFPIRK-VXGBXAGGSA-N 1 0 282.359 1.521 10 10 CDCERO COc1cc(O)c(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000814174118 1164055026 /nfs/dbraw/zinc/05/50/26/1164055026.db2.gz YXQUWTFEOLJFSM-YPMHNXCESA-N 1 0 292.379 1.545 10 10 CDCERO CC[C@@H]1[C@@H](C(=O)NCc2ccccc2O)CC[N@@H+]1C ZINC000866755953 1164818741 /nfs/dbraw/zinc/81/87/41/1164818741.db2.gz PFMRAYBLVAWDKT-QWHCGFSZSA-N 1 0 262.353 1.739 10 10 CDCERO